USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=11 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 126:sc= -0.514 USER MOD Set 1.2: A 50 THR OG1 : rot 180:sc= 0.0041 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= -0.0784 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 140:sc= -1.1 (180deg=-2.86!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0.0385 K(o=0.039,f=-1.1) USER MOD Single : A 26 MET CE :methyl -142:sc= 0 (180deg=-0.0939) USER MOD Single : A 27 HIS : no HD1:sc= -0.551 K(o=-0.55,f=0) USER MOD Single : A 28 CYS SG : rot 176:sc= -1.44 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 35 LYS NZ :NH3+ -128:sc= -1.55 (180deg=-5.4!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 46 MET CE :methyl -141:sc= -0.155 (180deg=-1.39) USER MOD Single : A 57 TYR OH : rot 180:sc= -0.312 USER MOD Single : A 66 ASN : amide:sc= -1.47 K(o=-1.5,f=-7.9!) USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N MET A 8 -8.268 2.254 -10.417 1.00 0.00 N ATOM 67 CA MET A 8 -7.396 1.810 -9.336 1.00 0.00 C ATOM 68 C MET A 8 -8.214 1.328 -8.142 1.00 0.00 C ATOM 69 O MET A 8 -8.330 0.125 -7.903 1.00 0.00 O ATOM 70 CB MET A 8 -6.464 2.945 -8.906 1.00 0.00 C ATOM 71 CG MET A 8 -5.124 2.935 -9.623 1.00 0.00 C ATOM 72 SD MET A 8 -4.428 4.587 -9.816 1.00 0.00 S ATOM 73 CE MET A 8 -3.483 4.735 -8.301 1.00 0.00 C ATOM 0 HA MET A 8 -6.797 0.977 -9.704 1.00 0.00 H new ATOM 0 HB2 MET A 8 -6.958 3.899 -9.090 1.00 0.00 H new ATOM 0 HB3 MET A 8 -6.293 2.876 -7.832 1.00 0.00 H new ATOM 0 HG2 MET A 8 -4.423 2.312 -9.067 1.00 0.00 H new ATOM 0 HG3 MET A 8 -5.245 2.479 -10.606 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.991 5.707 -8.272 1.00 0.00 H new ATOM 0 HE2 MET A 8 -4.151 4.641 -7.445 1.00 0.00 H new ATOM 0 HE3 MET A 8 -2.731 3.947 -8.263 1.00 0.00 H new ATOM 83 N ILE A 9 -8.777 2.272 -7.396 1.00 0.00 N ATOM 84 CA ILE A 9 -9.584 1.942 -6.228 1.00 0.00 C ATOM 85 C ILE A 9 -10.513 0.767 -6.515 1.00 0.00 C ATOM 86 O ILE A 9 -10.658 -0.138 -5.694 1.00 0.00 O ATOM 87 CB ILE A 9 -10.426 3.146 -5.767 1.00 0.00 C ATOM 88 CG1 ILE A 9 -9.521 4.340 -5.457 1.00 0.00 C ATOM 89 CG2 ILE A 9 -11.258 2.775 -4.548 1.00 0.00 C ATOM 90 CD1 ILE A 9 -9.250 5.221 -6.657 1.00 0.00 C ATOM 0 H ILE A 9 -8.689 3.272 -7.580 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.890 1.668 -5.433 1.00 0.00 H new ATOM 0 HB ILE A 9 -11.103 3.427 -6.573 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.981 4.940 -4.672 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.573 3.974 -5.063 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -11.848 3.636 -4.234 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.925 1.951 -4.800 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.598 2.472 -3.735 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.602 6.047 -6.363 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.761 4.635 -7.435 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -10.192 5.616 -7.038 1.00 0.00 H new ATOM 102 N ALA A 10 -11.137 0.787 -7.688 1.00 0.00 N ATOM 103 CA ALA A 10 -12.049 -0.279 -8.086 1.00 0.00 C ATOM 104 C ALA A 10 -11.356 -1.637 -8.047 1.00 0.00 C ATOM 105 O ALA A 10 -11.778 -2.539 -7.324 1.00 0.00 O ATOM 106 CB ALA A 10 -12.604 -0.007 -9.476 1.00 0.00 C ATOM 0 H ALA A 10 -11.028 1.529 -8.379 1.00 0.00 H new ATOM 0 HA ALA A 10 -12.875 -0.301 -7.375 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -13.283 -0.811 -9.760 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.143 0.940 -9.473 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -11.783 0.045 -10.192 1.00 0.00 H new ATOM 112 N ALA A 11 -10.291 -1.775 -8.831 1.00 0.00 N ATOM 113 CA ALA A 11 -9.540 -3.023 -8.884 1.00 0.00 C ATOM 114 C ALA A 11 -9.085 -3.451 -7.493 1.00 0.00 C ATOM 115 O ALA A 11 -9.403 -4.549 -7.036 1.00 0.00 O ATOM 116 CB ALA A 11 -8.342 -2.878 -9.812 1.00 0.00 C ATOM 0 H ALA A 11 -9.930 -1.039 -9.437 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.199 -3.798 -9.276 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.790 -3.817 -9.843 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -8.687 -2.627 -10.815 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -7.690 -2.086 -9.444 1.00 0.00 H new ATOM 122 N TYR A 12 -8.341 -2.577 -6.825 1.00 0.00 N ATOM 123 CA TYR A 12 -7.840 -2.866 -5.486 1.00 0.00 C ATOM 124 C TYR A 12 -8.971 -3.318 -4.567 1.00 0.00 C ATOM 125 O TYR A 12 -8.922 -4.407 -3.996 1.00 0.00 O ATOM 126 CB TYR A 12 -7.153 -1.632 -4.898 1.00 0.00 C ATOM 127 CG TYR A 12 -5.807 -1.335 -5.520 1.00 0.00 C ATOM 128 CD1 TYR A 12 -4.775 -2.263 -5.468 1.00 0.00 C ATOM 129 CD2 TYR A 12 -5.568 -0.125 -6.160 1.00 0.00 C ATOM 130 CE1 TYR A 12 -3.544 -1.995 -6.034 1.00 0.00 C ATOM 131 CE2 TYR A 12 -4.340 0.151 -6.730 1.00 0.00 C ATOM 132 CZ TYR A 12 -3.331 -0.787 -6.664 1.00 0.00 C ATOM 133 OH TYR A 12 -2.107 -0.517 -7.230 1.00 0.00 O ATOM 0 H TYR A 12 -8.071 -1.663 -7.188 1.00 0.00 H new ATOM 0 HA TYR A 12 -7.114 -3.675 -5.564 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.803 -0.767 -5.029 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -7.025 -1.774 -3.825 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -4.938 -3.211 -4.976 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -6.355 0.612 -6.213 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.752 -2.728 -5.983 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -4.171 1.096 -7.225 1.00 0.00 H new ATOM 0 HH TYR A 12 -2.123 0.376 -7.634 1.00 0.00 H new ATOM 143 N GLU A 13 -9.988 -2.474 -4.432 1.00 0.00 N ATOM 144 CA GLU A 13 -11.132 -2.786 -3.582 1.00 0.00 C ATOM 145 C GLU A 13 -11.699 -4.162 -3.918 1.00 0.00 C ATOM 146 O GLU A 13 -11.832 -5.020 -3.047 1.00 0.00 O ATOM 147 CB GLU A 13 -12.219 -1.721 -3.741 1.00 0.00 C ATOM 148 CG GLU A 13 -13.183 -1.656 -2.568 1.00 0.00 C ATOM 149 CD GLU A 13 -14.064 -2.886 -2.468 1.00 0.00 C ATOM 150 OE1 GLU A 13 -14.393 -3.467 -3.524 1.00 0.00 O ATOM 151 OE2 GLU A 13 -14.426 -3.268 -1.336 1.00 0.00 O ATOM 0 H GLU A 13 -10.044 -1.569 -4.900 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.792 -2.795 -2.547 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.746 -0.747 -3.866 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.782 -1.922 -4.653 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -12.617 -1.543 -1.643 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.811 -0.771 -2.667 1.00 0.00 H new ATOM 158 N ASN A 14 -12.032 -4.364 -5.189 1.00 0.00 N ATOM 159 CA ASN A 14 -12.587 -5.635 -5.641 1.00 0.00 C ATOM 160 C ASN A 14 -11.671 -6.794 -5.260 1.00 0.00 C ATOM 161 O ASN A 14 -12.130 -7.830 -4.778 1.00 0.00 O ATOM 162 CB ASN A 14 -12.797 -5.614 -7.156 1.00 0.00 C ATOM 163 CG ASN A 14 -13.691 -6.742 -7.632 1.00 0.00 C ATOM 164 OD1 ASN A 14 -14.917 -6.640 -7.585 1.00 0.00 O ATOM 165 ND2 ASN A 14 -13.079 -7.827 -8.094 1.00 0.00 N ATOM 0 H ASN A 14 -11.927 -3.664 -5.924 1.00 0.00 H new ATOM 0 HA ASN A 14 -13.549 -5.778 -5.150 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -13.236 -4.659 -7.446 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.830 -5.685 -7.655 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -13.628 -8.619 -8.428 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -12.060 -7.868 -8.115 1.00 0.00 H new ATOM 172 N SER A 15 -10.372 -6.612 -5.479 1.00 0.00 N ATOM 173 CA SER A 15 -9.392 -7.644 -5.162 1.00 0.00 C ATOM 174 C SER A 15 -9.352 -7.912 -3.660 1.00 0.00 C ATOM 175 O SER A 15 -9.822 -7.103 -2.860 1.00 0.00 O ATOM 176 CB SER A 15 -8.004 -7.227 -5.654 1.00 0.00 C ATOM 177 OG SER A 15 -7.221 -8.359 -5.989 1.00 0.00 O ATOM 0 H SER A 15 -9.975 -5.760 -5.874 1.00 0.00 H new ATOM 0 HA SER A 15 -9.690 -8.562 -5.670 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.103 -6.579 -6.525 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.499 -6.648 -4.881 1.00 0.00 H new ATOM 0 HG SER A 15 -6.340 -8.066 -6.302 1.00 0.00 H new ATOM 183 N LYS A 16 -8.786 -9.054 -3.285 1.00 0.00 N ATOM 184 CA LYS A 16 -8.682 -9.431 -1.880 1.00 0.00 C ATOM 185 C LYS A 16 -7.221 -9.524 -1.449 1.00 0.00 C ATOM 186 O LYS A 16 -6.313 -9.407 -2.271 1.00 0.00 O ATOM 187 CB LYS A 16 -9.383 -10.769 -1.636 1.00 0.00 C ATOM 188 CG LYS A 16 -10.888 -10.710 -1.831 1.00 0.00 C ATOM 189 CD LYS A 16 -11.602 -10.327 -0.545 1.00 0.00 C ATOM 190 CE LYS A 16 -11.745 -11.518 0.390 1.00 0.00 C ATOM 191 NZ LYS A 16 -10.524 -11.725 1.216 1.00 0.00 N ATOM 0 H LYS A 16 -8.392 -9.735 -3.934 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.170 -8.659 -1.285 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.966 -11.517 -2.311 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.169 -11.102 -0.620 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.127 -9.986 -2.610 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.250 -11.679 -2.174 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.048 -9.534 -0.043 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.588 -9.928 -0.781 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.604 -11.365 1.044 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.945 -12.416 -0.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.800 -11.987 2.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.949 -12.486 0.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.968 -10.846 1.241 1.00 0.00 H new ATOM 205 N TRP A 17 -7.004 -9.738 -0.156 1.00 0.00 N ATOM 206 CA TRP A 17 -5.653 -9.849 0.383 1.00 0.00 C ATOM 207 C TRP A 17 -4.868 -10.940 -0.335 1.00 0.00 C ATOM 208 O TRP A 17 -5.420 -11.980 -0.693 1.00 0.00 O ATOM 209 CB TRP A 17 -5.704 -10.143 1.883 1.00 0.00 C ATOM 210 CG TRP A 17 -4.352 -10.170 2.529 1.00 0.00 C ATOM 211 CD1 TRP A 17 -3.723 -9.134 3.158 1.00 0.00 C ATOM 212 CD2 TRP A 17 -3.461 -11.289 2.608 1.00 0.00 C ATOM 213 NE1 TRP A 17 -2.496 -9.541 3.623 1.00 0.00 N ATOM 214 CE2 TRP A 17 -2.312 -10.859 3.298 1.00 0.00 C ATOM 215 CE3 TRP A 17 -3.524 -12.612 2.163 1.00 0.00 C ATOM 216 CZ2 TRP A 17 -1.236 -11.706 3.553 1.00 0.00 C ATOM 217 CZ3 TRP A 17 -2.456 -13.451 2.416 1.00 0.00 C ATOM 218 CH2 TRP A 17 -1.325 -12.996 3.106 1.00 0.00 C ATOM 0 H TRP A 17 -7.745 -9.838 0.538 1.00 0.00 H new ATOM 0 HA TRP A 17 -5.145 -8.898 0.223 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -6.318 -9.388 2.373 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -6.194 -11.104 2.041 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -4.130 -8.140 3.273 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -1.830 -8.957 4.128 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -4.392 -12.972 1.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -0.363 -11.357 4.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -2.494 -14.475 2.076 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -0.507 -13.677 3.289 1.00 0.00 H new ATOM 229 N GLU A 18 -3.578 -10.696 -0.543 1.00 0.00 N ATOM 230 CA GLU A 18 -2.718 -11.659 -1.220 1.00 0.00 C ATOM 231 C GLU A 18 -1.390 -11.815 -0.485 1.00 0.00 C ATOM 232 O GLU A 18 -0.758 -10.839 -0.079 1.00 0.00 O ATOM 233 CB GLU A 18 -2.465 -11.223 -2.665 1.00 0.00 C ATOM 234 CG GLU A 18 -1.937 -12.337 -3.553 1.00 0.00 C ATOM 235 CD GLU A 18 -3.005 -13.353 -3.911 1.00 0.00 C ATOM 236 OE1 GLU A 18 -4.122 -12.934 -4.282 1.00 0.00 O ATOM 237 OE2 GLU A 18 -2.724 -14.567 -3.821 1.00 0.00 O ATOM 0 H GLU A 18 -3.106 -9.840 -0.252 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.227 -12.623 -1.222 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.394 -10.842 -3.089 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.752 -10.399 -2.667 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.530 -11.906 -4.468 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.115 -12.842 -3.046 1.00 0.00 H new ATOM 244 N PRO A 19 -0.956 -13.071 -0.307 1.00 0.00 N ATOM 245 CA PRO A 19 0.300 -13.386 0.380 1.00 0.00 C ATOM 246 C PRO A 19 1.523 -12.974 -0.431 1.00 0.00 C ATOM 247 O PRO A 19 1.972 -13.707 -1.312 1.00 0.00 O ATOM 248 CB PRO A 19 0.248 -14.908 0.535 1.00 0.00 C ATOM 249 CG PRO A 19 -0.640 -15.371 -0.568 1.00 0.00 C ATOM 250 CD PRO A 19 -1.659 -14.283 -0.764 1.00 0.00 C ATOM 0 HA PRO A 19 0.393 -12.851 1.325 1.00 0.00 H new ATOM 0 HB2 PRO A 19 1.242 -15.348 0.454 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.149 -15.193 1.509 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -0.071 -15.542 -1.482 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.121 -16.315 -0.311 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.964 -14.201 -1.807 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.562 -14.468 -0.181 1.00 0.00 H new ATOM 258 N VAL A 20 2.059 -11.796 -0.128 1.00 0.00 N ATOM 259 CA VAL A 20 3.233 -11.287 -0.829 1.00 0.00 C ATOM 260 C VAL A 20 4.247 -10.706 0.149 1.00 0.00 C ATOM 261 O VAL A 20 3.882 -10.041 1.119 1.00 0.00 O ATOM 262 CB VAL A 20 2.848 -10.206 -1.856 1.00 0.00 C ATOM 263 CG1 VAL A 20 2.035 -9.104 -1.192 1.00 0.00 C ATOM 264 CG2 VAL A 20 4.092 -9.635 -2.519 1.00 0.00 C ATOM 0 H VAL A 20 1.699 -11.176 0.598 1.00 0.00 H new ATOM 0 HA VAL A 20 3.681 -12.132 -1.353 1.00 0.00 H new ATOM 0 HB VAL A 20 2.231 -10.666 -2.628 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.772 -8.349 -1.933 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.125 -9.528 -0.768 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.625 -8.644 -0.399 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.802 -8.873 -3.242 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.736 -9.190 -1.761 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.631 -10.433 -3.030 1.00 0.00 H new ATOM 274 N LYS A 21 5.525 -10.960 -0.112 1.00 0.00 N ATOM 275 CA LYS A 21 6.595 -10.461 0.744 1.00 0.00 C ATOM 276 C LYS A 21 7.046 -9.074 0.298 1.00 0.00 C ATOM 277 O LYS A 21 7.585 -8.907 -0.795 1.00 0.00 O ATOM 278 CB LYS A 21 7.784 -11.426 0.723 1.00 0.00 C ATOM 279 CG LYS A 21 9.006 -10.900 1.457 1.00 0.00 C ATOM 280 CD LYS A 21 10.213 -11.798 1.243 1.00 0.00 C ATOM 281 CE LYS A 21 10.266 -12.916 2.272 1.00 0.00 C ATOM 282 NZ LYS A 21 11.243 -13.974 1.891 1.00 0.00 N ATOM 0 H LYS A 21 5.845 -11.509 -0.910 1.00 0.00 H new ATOM 0 HA LYS A 21 6.210 -10.389 1.761 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.481 -12.373 1.170 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.054 -11.635 -0.312 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.235 -9.892 1.110 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.789 -10.828 2.523 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.176 -12.226 0.241 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.125 -11.204 1.303 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.538 -12.503 3.243 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.275 -13.358 2.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.250 -14.718 2.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.969 -14.386 0.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.193 -13.558 1.813 1.00 0.00 H new ATOM 296 N TRP A 22 6.821 -8.082 1.153 1.00 0.00 N ATOM 297 CA TRP A 22 7.206 -6.709 0.847 1.00 0.00 C ATOM 298 C TRP A 22 8.709 -6.516 1.008 1.00 0.00 C ATOM 299 O TRP A 22 9.240 -6.603 2.114 1.00 0.00 O ATOM 300 CB TRP A 22 6.454 -5.733 1.755 1.00 0.00 C ATOM 301 CG TRP A 22 4.974 -5.719 1.515 1.00 0.00 C ATOM 302 CD1 TRP A 22 3.998 -6.083 2.398 1.00 0.00 C ATOM 303 CD2 TRP A 22 4.304 -5.323 0.314 1.00 0.00 C ATOM 304 NE1 TRP A 22 2.761 -5.938 1.818 1.00 0.00 N ATOM 305 CE2 TRP A 22 2.922 -5.472 0.540 1.00 0.00 C ATOM 306 CE3 TRP A 22 4.737 -4.856 -0.930 1.00 0.00 C ATOM 307 CZ2 TRP A 22 1.972 -5.170 -0.433 1.00 0.00 C ATOM 308 CZ3 TRP A 22 3.793 -4.557 -1.894 1.00 0.00 C ATOM 309 CH2 TRP A 22 2.424 -4.714 -1.642 1.00 0.00 C ATOM 0 H TRP A 22 6.375 -8.203 2.062 1.00 0.00 H new ATOM 0 HA TRP A 22 6.942 -6.507 -0.191 1.00 0.00 H new ATOM 0 HB2 TRP A 22 6.644 -5.996 2.796 1.00 0.00 H new ATOM 0 HB3 TRP A 22 6.849 -4.729 1.603 1.00 0.00 H new ATOM 0 HD1 TRP A 22 4.173 -6.433 3.405 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.868 -6.144 2.266 1.00 0.00 H new ATOM 0 HE3 TRP A 22 5.790 -4.731 -1.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 0.916 -5.291 -0.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.117 -4.196 -2.859 1.00 0.00 H new ATOM 0 HH2 TRP A 22 1.712 -4.471 -2.416 1.00 0.00 H new ATOM 320 N GLU A 23 9.390 -6.252 -0.103 1.00 0.00 N ATOM 321 CA GLU A 23 10.834 -6.048 -0.084 1.00 0.00 C ATOM 322 C GLU A 23 11.172 -4.561 -0.016 1.00 0.00 C ATOM 323 O GLU A 23 10.352 -3.711 -0.362 1.00 0.00 O ATOM 324 CB GLU A 23 11.476 -6.672 -1.324 1.00 0.00 C ATOM 325 CG GLU A 23 11.523 -8.190 -1.287 1.00 0.00 C ATOM 326 CD GLU A 23 12.781 -8.720 -0.628 1.00 0.00 C ATOM 327 OE1 GLU A 23 13.382 -7.984 0.182 1.00 0.00 O ATOM 328 OE2 GLU A 23 13.165 -9.871 -0.923 1.00 0.00 O ATOM 0 H GLU A 23 8.965 -6.174 -1.027 1.00 0.00 H new ATOM 0 HA GLU A 23 11.233 -6.535 0.806 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.922 -6.356 -2.208 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.491 -6.288 -1.430 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.651 -8.563 -0.750 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.460 -8.576 -2.304 1.00 0.00 H new ATOM 335 N ASN A 24 12.385 -4.256 0.434 1.00 0.00 N ATOM 336 CA ASN A 24 12.832 -2.873 0.549 1.00 0.00 C ATOM 337 C ASN A 24 12.807 -2.178 -0.809 1.00 0.00 C ATOM 338 O ASN A 24 12.850 -2.830 -1.853 1.00 0.00 O ATOM 339 CB ASN A 24 14.243 -2.818 1.136 1.00 0.00 C ATOM 340 CG ASN A 24 14.353 -3.570 2.449 1.00 0.00 C ATOM 341 OD1 ASN A 24 14.446 -4.797 2.468 1.00 0.00 O ATOM 342 ND2 ASN A 24 14.343 -2.834 3.554 1.00 0.00 N ATOM 0 H ASN A 24 13.076 -4.948 0.725 1.00 0.00 H new ATOM 0 HA ASN A 24 12.147 -2.351 1.217 1.00 0.00 H new ATOM 0 HB2 ASN A 24 14.948 -3.239 0.419 1.00 0.00 H new ATOM 0 HB3 ASN A 24 14.529 -1.778 1.291 1.00 0.00 H new ATOM 0 HD21 ASN A 24 14.414 -3.284 4.467 1.00 0.00 H new ATOM 0 HD22 ASN A 24 14.264 -1.819 3.490 1.00 0.00 H new ATOM 349 N ASP A 25 12.737 -0.852 -0.788 1.00 0.00 N ATOM 350 CA ASP A 25 12.707 -0.068 -2.017 1.00 0.00 C ATOM 351 C ASP A 25 11.721 -0.662 -3.018 1.00 0.00 C ATOM 352 O ASP A 25 12.055 -0.869 -4.184 1.00 0.00 O ATOM 353 CB ASP A 25 14.104 0.000 -2.638 1.00 0.00 C ATOM 354 CG ASP A 25 14.568 -1.343 -3.168 1.00 0.00 C ATOM 355 OD1 ASP A 25 15.160 -2.116 -2.387 1.00 0.00 O ATOM 356 OD2 ASP A 25 14.338 -1.620 -4.364 1.00 0.00 O ATOM 0 H ASP A 25 12.700 -0.297 0.067 1.00 0.00 H new ATOM 0 HA ASP A 25 12.379 0.941 -1.767 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.102 0.727 -3.450 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.813 0.358 -1.892 1.00 0.00 H new ATOM 361 N MET A 26 10.507 -0.936 -2.553 1.00 0.00 N ATOM 362 CA MET A 26 9.472 -1.507 -3.407 1.00 0.00 C ATOM 363 C MET A 26 8.330 -0.517 -3.614 1.00 0.00 C ATOM 364 O MET A 26 8.295 0.544 -2.990 1.00 0.00 O ATOM 365 CB MET A 26 8.935 -2.803 -2.798 1.00 0.00 C ATOM 366 CG MET A 26 9.800 -4.017 -3.093 1.00 0.00 C ATOM 367 SD MET A 26 9.459 -4.736 -4.711 1.00 0.00 S ATOM 368 CE MET A 26 7.930 -5.607 -4.379 1.00 0.00 C ATOM 0 H MET A 26 10.216 -0.772 -1.589 1.00 0.00 H new ATOM 0 HA MET A 26 9.918 -1.728 -4.377 1.00 0.00 H new ATOM 0 HB2 MET A 26 8.852 -2.680 -1.718 1.00 0.00 H new ATOM 0 HB3 MET A 26 7.929 -2.983 -3.177 1.00 0.00 H new ATOM 0 HG2 MET A 26 10.851 -3.731 -3.041 1.00 0.00 H new ATOM 0 HG3 MET A 26 9.636 -4.771 -2.323 1.00 0.00 H new ATOM 0 HE1 MET A 26 7.925 -6.553 -4.920 1.00 0.00 H new ATOM 0 HE2 MET A 26 7.846 -5.800 -3.310 1.00 0.00 H new ATOM 0 HE3 MET A 26 7.086 -4.998 -4.705 1.00 0.00 H new ATOM 378 N HIS A 27 7.398 -0.870 -4.494 1.00 0.00 N ATOM 379 CA HIS A 27 6.255 -0.012 -4.782 1.00 0.00 C ATOM 380 C HIS A 27 4.944 -0.739 -4.496 1.00 0.00 C ATOM 381 O HIS A 27 4.805 -1.927 -4.789 1.00 0.00 O ATOM 382 CB HIS A 27 6.289 0.446 -6.240 1.00 0.00 C ATOM 383 CG HIS A 27 7.195 1.614 -6.480 1.00 0.00 C ATOM 384 ND1 HIS A 27 7.053 2.469 -7.552 1.00 0.00 N ATOM 385 CD2 HIS A 27 8.259 2.069 -5.777 1.00 0.00 C ATOM 386 CE1 HIS A 27 7.991 3.398 -7.499 1.00 0.00 C ATOM 387 NE2 HIS A 27 8.736 3.177 -6.431 1.00 0.00 N ATOM 0 H HIS A 27 7.412 -1.744 -5.020 1.00 0.00 H new ATOM 0 HA HIS A 27 6.315 0.861 -4.133 1.00 0.00 H new ATOM 0 HB2 HIS A 27 6.609 -0.387 -6.866 1.00 0.00 H new ATOM 0 HB3 HIS A 27 5.279 0.710 -6.553 1.00 0.00 H new ATOM 0 HD2 HIS A 27 8.658 1.640 -4.870 1.00 0.00 H new ATOM 0 HE1 HIS A 27 8.126 4.201 -8.208 1.00 0.00 H new ATOM 0 HE2 HIS A 27 9.536 3.739 -6.140 1.00 0.00 H new ATOM 395 N CYS A 28 3.987 -0.019 -3.921 1.00 0.00 N ATOM 396 CA CYS A 28 2.688 -0.597 -3.593 1.00 0.00 C ATOM 397 C CYS A 28 1.653 0.497 -3.349 1.00 0.00 C ATOM 398 O CYS A 28 1.994 1.675 -3.241 1.00 0.00 O ATOM 399 CB CYS A 28 2.802 -1.492 -2.359 1.00 0.00 C ATOM 400 SG CYS A 28 3.455 -0.654 -0.896 1.00 0.00 S ATOM 0 H CYS A 28 4.086 0.965 -3.672 1.00 0.00 H new ATOM 0 HA CYS A 28 2.361 -1.199 -4.441 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.817 -1.895 -2.124 1.00 0.00 H new ATOM 0 HB3 CYS A 28 3.445 -2.339 -2.596 1.00 0.00 H new ATOM 0 HG CYS A 28 3.433 -1.469 0.117 1.00 0.00 H new ATOM 406 N ALA A 29 0.388 0.099 -3.266 1.00 0.00 N ATOM 407 CA ALA A 29 -0.697 1.045 -3.036 1.00 0.00 C ATOM 408 C ALA A 29 -1.307 0.853 -1.652 1.00 0.00 C ATOM 409 O ALA A 29 -1.746 -0.243 -1.302 1.00 0.00 O ATOM 410 CB ALA A 29 -1.764 0.897 -4.110 1.00 0.00 C ATOM 0 H ALA A 29 0.089 -0.872 -3.355 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.284 2.053 -3.087 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.568 1.610 -3.925 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.325 1.091 -5.088 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.165 -0.116 -4.087 1.00 0.00 H new ATOM 416 N VAL A 30 -1.331 1.925 -0.866 1.00 0.00 N ATOM 417 CA VAL A 30 -1.888 1.875 0.480 1.00 0.00 C ATOM 418 C VAL A 30 -3.242 2.572 0.541 1.00 0.00 C ATOM 419 O VAL A 30 -3.532 3.461 -0.260 1.00 0.00 O ATOM 420 CB VAL A 30 -0.940 2.527 1.504 1.00 0.00 C ATOM 421 CG1 VAL A 30 -0.656 3.972 1.125 1.00 0.00 C ATOM 422 CG2 VAL A 30 -1.529 2.441 2.904 1.00 0.00 C ATOM 0 H VAL A 30 -0.971 2.839 -1.139 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.014 0.822 0.732 1.00 0.00 H new ATOM 0 HB VAL A 30 0.004 1.983 1.497 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.015 4.416 1.860 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.189 4.005 0.141 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.591 4.533 1.102 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.846 2.906 3.615 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.487 2.960 2.928 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.676 1.395 3.173 1.00 0.00 H new ATOM 432 N LYS A 31 -4.069 2.164 1.498 1.00 0.00 N ATOM 433 CA LYS A 31 -5.393 2.750 1.666 1.00 0.00 C ATOM 434 C LYS A 31 -5.452 3.610 2.925 1.00 0.00 C ATOM 435 O LYS A 31 -5.208 3.125 4.030 1.00 0.00 O ATOM 436 CB LYS A 31 -6.455 1.650 1.737 1.00 0.00 C ATOM 437 CG LYS A 31 -7.873 2.180 1.857 1.00 0.00 C ATOM 438 CD LYS A 31 -8.843 1.088 2.276 1.00 0.00 C ATOM 439 CE LYS A 31 -8.891 0.934 3.788 1.00 0.00 C ATOM 440 NZ LYS A 31 -9.782 1.946 4.421 1.00 0.00 N ATOM 0 H LYS A 31 -3.845 1.429 2.169 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.594 3.385 0.803 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.383 1.029 0.844 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.243 1.007 2.591 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.899 2.990 2.586 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.187 2.600 0.902 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.840 1.322 1.901 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.546 0.142 1.822 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.242 -0.067 4.040 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.885 1.031 4.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.788 1.807 5.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.433 2.901 4.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.748 1.837 4.052 1.00 0.00 H new ATOM 454 N ILE A 32 -5.777 4.886 2.749 1.00 0.00 N ATOM 455 CA ILE A 32 -5.870 5.811 3.872 1.00 0.00 C ATOM 456 C ILE A 32 -7.057 5.472 4.767 1.00 0.00 C ATOM 457 O ILE A 32 -8.128 5.110 4.282 1.00 0.00 O ATOM 458 CB ILE A 32 -6.004 7.268 3.391 1.00 0.00 C ATOM 459 CG1 ILE A 32 -4.932 7.584 2.345 1.00 0.00 C ATOM 460 CG2 ILE A 32 -5.901 8.226 4.568 1.00 0.00 C ATOM 461 CD1 ILE A 32 -5.195 8.859 1.576 1.00 0.00 C ATOM 0 H ILE A 32 -5.980 5.303 1.841 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.947 5.708 4.443 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.983 7.394 2.930 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.964 7.661 2.840 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.865 6.753 1.643 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -5.998 9.252 4.212 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -6.697 8.013 5.281 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.934 8.101 5.056 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.395 9.019 0.853 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.147 8.778 1.052 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.232 9.700 2.268 1.00 0.00 H new ATOM 473 N GLN A 33 -6.858 5.594 6.076 1.00 0.00 N ATOM 474 CA GLN A 33 -7.913 5.301 7.039 1.00 0.00 C ATOM 475 C GLN A 33 -8.864 6.485 7.181 1.00 0.00 C ATOM 476 O GLN A 33 -10.079 6.337 7.046 1.00 0.00 O ATOM 477 CB GLN A 33 -7.307 4.952 8.399 1.00 0.00 C ATOM 478 CG GLN A 33 -6.437 6.055 8.979 1.00 0.00 C ATOM 479 CD GLN A 33 -5.678 5.611 10.214 1.00 0.00 C ATOM 480 OE1 GLN A 33 -6.183 4.828 11.019 1.00 0.00 O ATOM 481 NE2 GLN A 33 -4.458 6.111 10.371 1.00 0.00 N ATOM 0 H GLN A 33 -5.977 5.893 6.493 1.00 0.00 H new ATOM 0 HA GLN A 33 -8.480 4.446 6.671 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.112 4.729 9.100 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -6.711 4.045 8.300 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.728 6.389 8.222 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.062 6.912 9.230 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -4.079 6.757 9.679 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.900 5.849 11.184 1.00 0.00 H new ATOM 490 N ASP A 34 -8.304 7.658 7.453 1.00 0.00 N ATOM 491 CA ASP A 34 -9.102 8.868 7.613 1.00 0.00 C ATOM 492 C ASP A 34 -9.851 9.199 6.326 1.00 0.00 C ATOM 493 O ASP A 34 -11.046 9.493 6.348 1.00 0.00 O ATOM 494 CB ASP A 34 -8.210 10.044 8.016 1.00 0.00 C ATOM 495 CG ASP A 34 -7.908 10.059 9.501 1.00 0.00 C ATOM 496 OD1 ASP A 34 -8.857 9.916 10.302 1.00 0.00 O ATOM 497 OD2 ASP A 34 -6.723 10.213 9.864 1.00 0.00 O ATOM 0 H ASP A 34 -7.300 7.797 7.567 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.833 8.690 8.402 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.275 9.995 7.458 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.698 10.978 7.738 1.00 0.00 H new ATOM 502 N LYS A 35 -9.139 9.150 5.205 1.00 0.00 N ATOM 503 CA LYS A 35 -9.735 9.444 3.907 1.00 0.00 C ATOM 504 C LYS A 35 -10.110 8.158 3.176 1.00 0.00 C ATOM 505 O LYS A 35 -9.924 7.060 3.698 1.00 0.00 O ATOM 506 CB LYS A 35 -8.766 10.264 3.052 1.00 0.00 C ATOM 507 CG LYS A 35 -8.919 11.765 3.230 1.00 0.00 C ATOM 508 CD LYS A 35 -8.603 12.193 4.654 1.00 0.00 C ATOM 509 CE LYS A 35 -7.132 12.542 4.817 1.00 0.00 C ATOM 510 NZ LYS A 35 -6.312 11.346 5.153 1.00 0.00 N ATOM 0 H LYS A 35 -8.148 8.909 5.169 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.643 10.024 4.075 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.744 9.979 3.302 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.919 10.013 2.002 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.256 12.284 2.538 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.938 12.060 2.978 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.214 13.055 4.920 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.866 11.391 5.343 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.761 12.989 3.895 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.021 13.290 5.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.740 11.544 5.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.938 10.537 5.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.684 11.120 4.355 1.00 0.00 H new ATOM 524 N ASN A 36 -10.637 8.304 1.965 1.00 0.00 N ATOM 525 CA ASN A 36 -11.037 7.153 1.163 1.00 0.00 C ATOM 526 C ASN A 36 -10.339 7.167 -0.194 1.00 0.00 C ATOM 527 O ASN A 36 -10.923 6.783 -1.207 1.00 0.00 O ATOM 528 CB ASN A 36 -12.555 7.144 0.967 1.00 0.00 C ATOM 529 CG ASN A 36 -13.290 6.599 2.176 1.00 0.00 C ATOM 530 OD1 ASN A 36 -13.856 7.356 2.966 1.00 0.00 O ATOM 531 ND2 ASN A 36 -13.286 5.280 2.326 1.00 0.00 N ATOM 0 H ASN A 36 -10.797 9.207 1.518 1.00 0.00 H new ATOM 0 HA ASN A 36 -10.740 6.250 1.696 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -12.898 8.158 0.763 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -12.802 6.542 0.093 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -13.765 4.856 3.120 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -12.804 4.691 1.647 1.00 0.00 H new ATOM 538 N GLN A 37 -9.086 7.610 -0.203 1.00 0.00 N ATOM 539 CA GLN A 37 -8.308 7.674 -1.435 1.00 0.00 C ATOM 540 C GLN A 37 -7.123 6.715 -1.381 1.00 0.00 C ATOM 541 O GLN A 37 -6.387 6.679 -0.395 1.00 0.00 O ATOM 542 CB GLN A 37 -7.814 9.101 -1.678 1.00 0.00 C ATOM 543 CG GLN A 37 -8.918 10.068 -2.071 1.00 0.00 C ATOM 544 CD GLN A 37 -8.474 11.517 -2.011 1.00 0.00 C ATOM 545 OE1 GLN A 37 -7.282 11.815 -2.077 1.00 0.00 O ATOM 546 NE2 GLN A 37 -9.434 12.426 -1.885 1.00 0.00 N ATOM 0 H GLN A 37 -8.588 7.930 0.628 1.00 0.00 H new ATOM 0 HA GLN A 37 -8.956 7.376 -2.260 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.327 9.467 -0.774 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.059 9.086 -2.464 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -9.255 9.837 -3.081 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -9.773 9.926 -1.409 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.410 12.133 -1.834 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.195 13.417 -1.839 1.00 0.00 H new ATOM 555 N TRP A 38 -6.946 5.940 -2.445 1.00 0.00 N ATOM 556 CA TRP A 38 -5.851 4.980 -2.517 1.00 0.00 C ATOM 557 C TRP A 38 -4.559 5.661 -2.957 1.00 0.00 C ATOM 558 O TRP A 38 -4.434 6.094 -4.103 1.00 0.00 O ATOM 559 CB TRP A 38 -6.200 3.848 -3.485 1.00 0.00 C ATOM 560 CG TRP A 38 -7.043 2.776 -2.864 1.00 0.00 C ATOM 561 CD1 TRP A 38 -8.403 2.774 -2.735 1.00 0.00 C ATOM 562 CD2 TRP A 38 -6.582 1.550 -2.286 1.00 0.00 C ATOM 563 NE1 TRP A 38 -8.814 1.620 -2.112 1.00 0.00 N ATOM 564 CE2 TRP A 38 -7.716 0.852 -1.827 1.00 0.00 C ATOM 565 CE3 TRP A 38 -5.321 0.972 -2.114 1.00 0.00 C ATOM 566 CZ2 TRP A 38 -7.625 -0.391 -1.207 1.00 0.00 C ATOM 567 CZ3 TRP A 38 -5.232 -0.262 -1.498 1.00 0.00 C ATOM 568 CH2 TRP A 38 -6.378 -0.933 -1.051 1.00 0.00 C ATOM 0 H TRP A 38 -7.546 5.958 -3.269 1.00 0.00 H new ATOM 0 HA TRP A 38 -5.700 4.563 -1.521 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.727 4.263 -4.344 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -5.278 3.404 -3.861 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -9.059 3.563 -3.073 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -9.780 1.375 -1.897 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -4.432 1.481 -2.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -8.507 -0.909 -0.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -4.262 -0.717 -1.359 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -6.275 -1.897 -0.574 1.00 0.00 H new ATOM 579 N ARG A 39 -3.601 5.751 -2.041 1.00 0.00 N ATOM 580 CA ARG A 39 -2.319 6.380 -2.335 1.00 0.00 C ATOM 581 C ARG A 39 -1.226 5.330 -2.512 1.00 0.00 C ATOM 582 O ARG A 39 -1.445 4.144 -2.266 1.00 0.00 O ATOM 583 CB ARG A 39 -1.934 7.349 -1.216 1.00 0.00 C ATOM 584 CG ARG A 39 -2.536 8.736 -1.376 1.00 0.00 C ATOM 585 CD ARG A 39 -1.623 9.650 -2.178 1.00 0.00 C ATOM 586 NE ARG A 39 -1.828 9.503 -3.616 1.00 0.00 N ATOM 587 CZ ARG A 39 -2.967 9.798 -4.231 1.00 0.00 C ATOM 588 NH1 ARG A 39 -4.000 10.255 -3.536 1.00 0.00 N ATOM 589 NH2 ARG A 39 -3.076 9.637 -5.544 1.00 0.00 N ATOM 0 H ARG A 39 -3.688 5.396 -1.089 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.420 6.935 -3.268 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.253 6.932 -0.261 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.848 7.436 -1.180 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.503 8.659 -1.873 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.716 9.171 -0.393 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.803 10.686 -1.890 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.584 9.428 -1.935 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.053 9.154 -4.180 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.920 10.380 -2.527 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.874 10.481 -4.011 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.284 9.286 -6.082 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.952 9.864 -6.015 1.00 0.00 H new ATOM 603 N ARG A 40 -0.050 5.775 -2.942 1.00 0.00 N ATOM 604 CA ARG A 40 1.076 4.874 -3.154 1.00 0.00 C ATOM 605 C ARG A 40 2.129 5.054 -2.065 1.00 0.00 C ATOM 606 O ARG A 40 2.205 6.103 -1.427 1.00 0.00 O ATOM 607 CB ARG A 40 1.702 5.120 -4.528 1.00 0.00 C ATOM 608 CG ARG A 40 0.871 4.581 -5.681 1.00 0.00 C ATOM 609 CD ARG A 40 -0.193 5.578 -6.114 1.00 0.00 C ATOM 610 NE ARG A 40 0.316 6.530 -7.097 1.00 0.00 N ATOM 611 CZ ARG A 40 0.738 6.181 -8.308 1.00 0.00 C ATOM 612 NH1 ARG A 40 0.711 4.910 -8.682 1.00 0.00 N ATOM 613 NH2 ARG A 40 1.188 7.106 -9.146 1.00 0.00 N ATOM 0 H ARG A 40 0.148 6.754 -3.150 1.00 0.00 H new ATOM 0 HA ARG A 40 0.703 3.851 -3.110 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.847 6.192 -4.665 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.689 4.659 -4.556 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.522 4.353 -6.525 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.396 3.646 -5.383 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.043 5.041 -6.536 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.559 6.119 -5.241 1.00 0.00 H new ATOM 0 HE ARG A 40 0.350 7.517 -6.840 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.366 4.197 -8.040 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.035 4.645 -9.612 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.210 8.085 -8.861 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.512 6.838 -10.075 1.00 0.00 H new ATOM 627 N GLY A 41 2.941 4.021 -1.856 1.00 0.00 N ATOM 628 CA GLY A 41 3.978 4.085 -0.843 1.00 0.00 C ATOM 629 C GLY A 41 5.199 3.267 -1.211 1.00 0.00 C ATOM 630 O GLY A 41 5.136 2.407 -2.090 1.00 0.00 O ATOM 0 H GLY A 41 2.899 3.141 -2.371 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.272 5.124 -0.694 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.577 3.728 0.106 1.00 0.00 H new ATOM 634 N GLN A 42 6.314 3.535 -0.539 1.00 0.00 N ATOM 635 CA GLN A 42 7.556 2.817 -0.803 1.00 0.00 C ATOM 636 C GLN A 42 7.998 2.025 0.424 1.00 0.00 C ATOM 637 O GLN A 42 8.271 2.598 1.479 1.00 0.00 O ATOM 638 CB GLN A 42 8.656 3.796 -1.217 1.00 0.00 C ATOM 639 CG GLN A 42 9.767 3.152 -2.031 1.00 0.00 C ATOM 640 CD GLN A 42 10.747 4.168 -2.586 1.00 0.00 C ATOM 641 OE1 GLN A 42 10.809 5.306 -2.121 1.00 0.00 O ATOM 642 NE2 GLN A 42 11.519 3.760 -3.586 1.00 0.00 N ATOM 0 H GLN A 42 6.383 4.243 0.192 1.00 0.00 H new ATOM 0 HA GLN A 42 7.376 2.117 -1.619 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.212 4.604 -1.799 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.086 4.246 -0.322 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.304 2.439 -1.406 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.329 2.588 -2.854 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.434 2.807 -3.940 1.00 0.00 H new ATOM 0 HE22 GLN A 42 12.197 4.399 -4.000 1.00 0.00 H new ATOM 651 N ILE A 43 8.066 0.707 0.277 1.00 0.00 N ATOM 652 CA ILE A 43 8.476 -0.163 1.372 1.00 0.00 C ATOM 653 C ILE A 43 9.737 0.362 2.049 1.00 0.00 C ATOM 654 O ILE A 43 10.853 0.038 1.642 1.00 0.00 O ATOM 655 CB ILE A 43 8.729 -1.602 0.884 1.00 0.00 C ATOM 656 CG1 ILE A 43 7.487 -2.151 0.180 1.00 0.00 C ATOM 657 CG2 ILE A 43 9.122 -2.495 2.051 1.00 0.00 C ATOM 658 CD1 ILE A 43 6.239 -2.106 1.033 1.00 0.00 C ATOM 0 H ILE A 43 7.842 0.218 -0.590 1.00 0.00 H new ATOM 0 HA ILE A 43 7.657 -0.171 2.092 1.00 0.00 H new ATOM 0 HB ILE A 43 9.552 -1.588 0.169 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.314 -1.580 -0.732 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.675 -3.182 -0.120 1.00 0.00 H new ATOM 0 HG21 ILE A 43 9.297 -3.509 1.691 1.00 0.00 H new ATOM 0 HG22 ILE A 43 10.032 -2.111 2.512 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.319 -2.506 2.787 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.398 -2.511 0.470 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.392 -2.701 1.934 1.00 0.00 H new ATOM 0 HD13 ILE A 43 6.026 -1.074 1.312 1.00 0.00 H new ATOM 670 N ILE A 44 9.552 1.173 3.086 1.00 0.00 N ATOM 671 CA ILE A 44 10.675 1.740 3.821 1.00 0.00 C ATOM 672 C ILE A 44 11.392 0.672 4.640 1.00 0.00 C ATOM 673 O ILE A 44 12.544 0.334 4.365 1.00 0.00 O ATOM 674 CB ILE A 44 10.219 2.871 4.761 1.00 0.00 C ATOM 675 CG1 ILE A 44 9.692 4.057 3.950 1.00 0.00 C ATOM 676 CG2 ILE A 44 11.365 3.306 5.662 1.00 0.00 C ATOM 677 CD1 ILE A 44 9.266 5.231 4.803 1.00 0.00 C ATOM 0 H ILE A 44 8.635 1.452 3.435 1.00 0.00 H new ATOM 0 HA ILE A 44 11.362 2.149 3.080 1.00 0.00 H new ATOM 0 HB ILE A 44 9.411 2.497 5.389 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.466 4.385 3.256 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.844 3.728 3.350 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.027 4.106 6.320 1.00 0.00 H new ATOM 0 HG22 ILE A 44 11.698 2.459 6.262 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.193 3.665 5.050 1.00 0.00 H new ATOM 0 HD11 ILE A 44 8.904 6.034 4.162 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.470 4.920 5.479 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.117 5.586 5.384 1.00 0.00 H new ATOM 689 N ARG A 45 10.703 0.144 5.646 1.00 0.00 N ATOM 690 CA ARG A 45 11.274 -0.887 6.504 1.00 0.00 C ATOM 691 C ARG A 45 10.176 -1.739 7.135 1.00 0.00 C ATOM 692 O ARG A 45 9.307 -1.226 7.839 1.00 0.00 O ATOM 693 CB ARG A 45 12.133 -0.251 7.599 1.00 0.00 C ATOM 694 CG ARG A 45 11.325 0.311 8.757 1.00 0.00 C ATOM 695 CD ARG A 45 12.125 1.332 9.551 1.00 0.00 C ATOM 696 NE ARG A 45 12.912 0.706 10.611 1.00 0.00 N ATOM 697 CZ ARG A 45 13.798 1.361 11.352 1.00 0.00 C ATOM 698 NH1 ARG A 45 14.009 2.655 11.151 1.00 0.00 N ATOM 699 NH2 ARG A 45 14.476 0.723 12.297 1.00 0.00 N ATOM 0 H ARG A 45 9.749 0.413 5.887 1.00 0.00 H new ATOM 0 HA ARG A 45 11.901 -1.531 5.888 1.00 0.00 H new ATOM 0 HB2 ARG A 45 12.830 -0.997 7.981 1.00 0.00 H new ATOM 0 HB3 ARG A 45 12.730 0.549 7.162 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.416 0.776 8.376 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.016 -0.502 9.414 1.00 0.00 H new ATOM 0 HD2 ARG A 45 12.789 1.875 8.878 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.446 2.064 9.988 1.00 0.00 H new ATOM 0 HE ARG A 45 12.773 -0.288 10.792 1.00 0.00 H new ATOM 0 HH11 ARG A 45 13.490 3.150 10.426 1.00 0.00 H new ATOM 0 HH12 ARG A 45 14.690 3.155 11.722 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.317 -0.272 12.455 1.00 0.00 H new ATOM 0 HH22 ARG A 45 15.156 1.227 12.865 1.00 0.00 H new ATOM 713 N MET A 46 10.223 -3.042 6.876 1.00 0.00 N ATOM 714 CA MET A 46 9.233 -3.964 7.419 1.00 0.00 C ATOM 715 C MET A 46 9.372 -4.082 8.934 1.00 0.00 C ATOM 716 O MET A 46 10.360 -4.617 9.437 1.00 0.00 O ATOM 717 CB MET A 46 9.381 -5.343 6.773 1.00 0.00 C ATOM 718 CG MET A 46 8.717 -5.450 5.410 1.00 0.00 C ATOM 719 SD MET A 46 8.379 -7.156 4.934 1.00 0.00 S ATOM 720 CE MET A 46 6.978 -7.529 5.985 1.00 0.00 C ATOM 0 H MET A 46 10.936 -3.482 6.294 1.00 0.00 H new ATOM 0 HA MET A 46 8.243 -3.569 7.193 1.00 0.00 H new ATOM 0 HB2 MET A 46 10.441 -5.575 6.671 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.953 -6.094 7.437 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.783 -4.888 5.420 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.359 -4.988 4.660 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.063 -8.551 6.356 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.961 -6.838 6.827 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.056 -7.426 5.413 1.00 0.00 H new ATOM 730 N VAL A 47 8.376 -3.578 9.656 1.00 0.00 N ATOM 731 CA VAL A 47 8.387 -3.627 11.113 1.00 0.00 C ATOM 732 C VAL A 47 8.070 -5.030 11.618 1.00 0.00 C ATOM 733 O VAL A 47 8.930 -5.711 12.177 1.00 0.00 O ATOM 734 CB VAL A 47 7.375 -2.635 11.716 1.00 0.00 C ATOM 735 CG1 VAL A 47 7.557 -2.536 13.223 1.00 0.00 C ATOM 736 CG2 VAL A 47 7.516 -1.268 11.063 1.00 0.00 C ATOM 0 H VAL A 47 7.551 -3.131 9.255 1.00 0.00 H new ATOM 0 HA VAL A 47 9.391 -3.348 11.431 1.00 0.00 H new ATOM 0 HB VAL A 47 6.369 -3.005 11.519 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.833 -1.831 13.631 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.402 -3.516 13.673 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.566 -2.190 13.446 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.793 -0.579 11.501 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.525 -0.889 11.227 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.331 -1.355 9.992 1.00 0.00 H new ATOM 746 N THR A 48 6.827 -5.458 11.417 1.00 0.00 N ATOM 747 CA THR A 48 6.394 -6.780 11.852 1.00 0.00 C ATOM 748 C THR A 48 5.796 -7.572 10.694 1.00 0.00 C ATOM 749 O THR A 48 5.600 -7.039 9.602 1.00 0.00 O ATOM 750 CB THR A 48 5.356 -6.687 12.986 1.00 0.00 C ATOM 751 OG1 THR A 48 4.217 -5.939 12.546 1.00 0.00 O ATOM 752 CG2 THR A 48 5.958 -6.027 14.217 1.00 0.00 C ATOM 0 H THR A 48 6.103 -4.908 10.956 1.00 0.00 H new ATOM 0 HA THR A 48 7.280 -7.296 12.222 1.00 0.00 H new ATOM 0 HB THR A 48 5.046 -7.698 13.250 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.404 -6.467 12.688 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.207 -5.972 15.005 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.807 -6.614 14.566 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.292 -5.021 13.964 1.00 0.00 H new ATOM 760 N ASP A 49 5.508 -8.845 10.941 1.00 0.00 N ATOM 761 CA ASP A 49 4.929 -9.709 9.919 1.00 0.00 C ATOM 762 C ASP A 49 3.609 -9.140 9.409 1.00 0.00 C ATOM 763 O ASP A 49 3.072 -9.596 8.399 1.00 0.00 O ATOM 764 CB ASP A 49 4.711 -11.117 10.476 1.00 0.00 C ATOM 765 CG ASP A 49 6.014 -11.845 10.738 1.00 0.00 C ATOM 766 OD1 ASP A 49 6.885 -11.844 9.842 1.00 0.00 O ATOM 767 OD2 ASP A 49 6.165 -12.414 11.839 1.00 0.00 O ATOM 0 H ASP A 49 5.666 -9.301 11.839 1.00 0.00 H new ATOM 0 HA ASP A 49 5.627 -9.761 9.084 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.141 -11.053 11.403 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.111 -11.694 9.772 1.00 0.00 H new ATOM 772 N THR A 50 3.089 -8.141 10.115 1.00 0.00 N ATOM 773 CA THR A 50 1.831 -7.510 9.736 1.00 0.00 C ATOM 774 C THR A 50 2.020 -6.021 9.471 1.00 0.00 C ATOM 775 O THR A 50 1.376 -5.450 8.589 1.00 0.00 O ATOM 776 CB THR A 50 0.759 -7.694 10.826 1.00 0.00 C ATOM 777 OG1 THR A 50 1.224 -7.149 12.067 1.00 0.00 O ATOM 778 CG2 THR A 50 0.420 -9.166 11.009 1.00 0.00 C ATOM 0 H THR A 50 3.520 -7.751 10.953 1.00 0.00 H new ATOM 0 HA THR A 50 1.496 -7.999 8.821 1.00 0.00 H new ATOM 0 HB THR A 50 -0.141 -7.166 10.512 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.536 -7.268 12.755 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.339 -9.271 11.784 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.040 -9.571 10.071 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.316 -9.712 11.303 1.00 0.00 H new ATOM 786 N LEU A 51 2.907 -5.396 10.238 1.00 0.00 N ATOM 787 CA LEU A 51 3.181 -3.972 10.086 1.00 0.00 C ATOM 788 C LEU A 51 4.340 -3.741 9.121 1.00 0.00 C ATOM 789 O LEU A 51 5.272 -4.542 9.051 1.00 0.00 O ATOM 790 CB LEU A 51 3.501 -3.346 11.444 1.00 0.00 C ATOM 791 CG LEU A 51 2.455 -3.551 12.540 1.00 0.00 C ATOM 792 CD1 LEU A 51 2.934 -2.953 13.854 1.00 0.00 C ATOM 793 CD2 LEU A 51 1.124 -2.938 12.128 1.00 0.00 C ATOM 0 H LEU A 51 3.449 -5.854 10.971 1.00 0.00 H new ATOM 0 HA LEU A 51 2.290 -3.497 9.675 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.450 -3.752 11.794 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.645 -2.275 11.303 1.00 0.00 H new ATOM 0 HG LEU A 51 2.311 -4.622 12.682 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.176 -3.109 14.622 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.863 -3.437 14.157 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.107 -1.884 13.726 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.391 -3.093 12.920 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.253 -1.869 11.957 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.773 -3.412 11.211 1.00 0.00 H new ATOM 805 N VAL A 52 4.277 -2.639 8.381 1.00 0.00 N ATOM 806 CA VAL A 52 5.322 -2.300 7.423 1.00 0.00 C ATOM 807 C VAL A 52 5.405 -0.793 7.210 1.00 0.00 C ATOM 808 O VAL A 52 4.395 -0.134 6.965 1.00 0.00 O ATOM 809 CB VAL A 52 5.083 -2.986 6.065 1.00 0.00 C ATOM 810 CG1 VAL A 52 5.955 -2.359 4.988 1.00 0.00 C ATOM 811 CG2 VAL A 52 5.346 -4.481 6.170 1.00 0.00 C ATOM 0 H VAL A 52 3.513 -1.965 8.427 1.00 0.00 H new ATOM 0 HA VAL A 52 6.263 -2.657 7.842 1.00 0.00 H new ATOM 0 HB VAL A 52 4.040 -2.841 5.784 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.772 -2.857 4.036 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.714 -1.300 4.896 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.005 -2.470 5.260 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.172 -4.950 5.201 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.379 -4.648 6.474 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.675 -4.917 6.910 1.00 0.00 H new ATOM 821 N GLU A 53 6.617 -0.253 7.306 1.00 0.00 N ATOM 822 CA GLU A 53 6.831 1.178 7.124 1.00 0.00 C ATOM 823 C GLU A 53 6.975 1.523 5.645 1.00 0.00 C ATOM 824 O GLU A 53 7.855 1.005 4.958 1.00 0.00 O ATOM 825 CB GLU A 53 8.077 1.630 7.888 1.00 0.00 C ATOM 826 CG GLU A 53 8.022 3.081 8.338 1.00 0.00 C ATOM 827 CD GLU A 53 8.989 3.378 9.467 1.00 0.00 C ATOM 828 OE1 GLU A 53 9.197 2.491 10.320 1.00 0.00 O ATOM 829 OE2 GLU A 53 9.537 4.500 9.498 1.00 0.00 O ATOM 0 H GLU A 53 7.464 -0.784 7.508 1.00 0.00 H new ATOM 0 HA GLU A 53 5.961 1.703 7.518 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.208 0.992 8.762 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.953 1.488 7.255 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.248 3.729 7.491 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.008 3.319 8.660 1.00 0.00 H new ATOM 836 N VAL A 54 6.103 2.401 5.160 1.00 0.00 N ATOM 837 CA VAL A 54 6.132 2.817 3.763 1.00 0.00 C ATOM 838 C VAL A 54 6.250 4.332 3.642 1.00 0.00 C ATOM 839 O VAL A 54 5.885 5.069 4.560 1.00 0.00 O ATOM 840 CB VAL A 54 4.871 2.349 3.012 1.00 0.00 C ATOM 841 CG1 VAL A 54 4.934 0.854 2.740 1.00 0.00 C ATOM 842 CG2 VAL A 54 3.619 2.703 3.802 1.00 0.00 C ATOM 0 H VAL A 54 5.367 2.838 5.715 1.00 0.00 H new ATOM 0 HA VAL A 54 7.008 2.351 3.312 1.00 0.00 H new ATOM 0 HB VAL A 54 4.828 2.866 2.054 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.035 0.543 2.209 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.810 0.632 2.131 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.002 0.315 3.685 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.737 2.365 3.257 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.653 2.214 4.776 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.569 3.783 3.940 1.00 0.00 H new ATOM 852 N LEU A 55 6.760 4.791 2.505 1.00 0.00 N ATOM 853 CA LEU A 55 6.926 6.220 2.263 1.00 0.00 C ATOM 854 C LEU A 55 5.977 6.701 1.171 1.00 0.00 C ATOM 855 O LEU A 55 6.023 6.221 0.037 1.00 0.00 O ATOM 856 CB LEU A 55 8.372 6.526 1.869 1.00 0.00 C ATOM 857 CG LEU A 55 8.606 7.859 1.157 1.00 0.00 C ATOM 858 CD1 LEU A 55 8.131 9.017 2.021 1.00 0.00 C ATOM 859 CD2 LEU A 55 10.077 8.024 0.803 1.00 0.00 C ATOM 0 H LEU A 55 7.066 4.195 1.736 1.00 0.00 H new ATOM 0 HA LEU A 55 6.687 6.750 3.185 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.985 6.506 2.770 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.729 5.724 1.223 1.00 0.00 H new ATOM 0 HG LEU A 55 8.028 7.861 0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.306 9.957 1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.066 8.907 2.223 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.681 9.018 2.962 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.225 8.978 0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.675 8.000 1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.386 7.212 0.144 1.00 0.00 H new ATOM 871 N LEU A 56 5.118 7.653 1.518 1.00 0.00 N ATOM 872 CA LEU A 56 4.158 8.202 0.566 1.00 0.00 C ATOM 873 C LEU A 56 4.829 9.206 -0.366 1.00 0.00 C ATOM 874 O LEU A 56 4.338 10.320 -0.552 1.00 0.00 O ATOM 875 CB LEU A 56 3.000 8.872 1.308 1.00 0.00 C ATOM 876 CG LEU A 56 2.320 8.032 2.389 1.00 0.00 C ATOM 877 CD1 LEU A 56 1.190 8.814 3.040 1.00 0.00 C ATOM 878 CD2 LEU A 56 1.800 6.728 1.802 1.00 0.00 C ATOM 0 H LEU A 56 5.066 8.061 2.451 1.00 0.00 H new ATOM 0 HA LEU A 56 3.769 7.380 -0.035 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.371 9.788 1.768 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.247 9.165 0.576 1.00 0.00 H new ATOM 0 HG LEU A 56 3.058 7.794 3.155 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.717 8.200 3.807 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.590 9.720 3.496 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.452 9.083 2.285 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.319 6.143 2.586 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.077 6.946 1.016 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.631 6.160 1.383 1.00 0.00 H new ATOM 890 N TYR A 57 5.952 8.804 -0.951 1.00 0.00 N ATOM 891 CA TYR A 57 6.690 9.668 -1.864 1.00 0.00 C ATOM 892 C TYR A 57 5.737 10.505 -2.712 1.00 0.00 C ATOM 893 O TYR A 57 6.023 11.659 -3.031 1.00 0.00 O ATOM 894 CB TYR A 57 7.596 8.833 -2.770 1.00 0.00 C ATOM 895 CG TYR A 57 6.867 7.733 -3.509 1.00 0.00 C ATOM 896 CD1 TYR A 57 6.699 6.478 -2.937 1.00 0.00 C ATOM 897 CD2 TYR A 57 6.346 7.950 -4.778 1.00 0.00 C ATOM 898 CE1 TYR A 57 6.034 5.470 -3.608 1.00 0.00 C ATOM 899 CE2 TYR A 57 5.678 6.948 -5.457 1.00 0.00 C ATOM 900 CZ TYR A 57 5.525 5.711 -4.868 1.00 0.00 C ATOM 901 OH TYR A 57 4.862 4.710 -5.540 1.00 0.00 O ATOM 0 H TYR A 57 6.371 7.885 -0.809 1.00 0.00 H new ATOM 0 HA TYR A 57 7.305 10.342 -1.268 1.00 0.00 H new ATOM 0 HB2 TYR A 57 8.075 9.490 -3.495 1.00 0.00 H new ATOM 0 HB3 TYR A 57 8.389 8.390 -2.168 1.00 0.00 H new ATOM 0 HD1 TYR A 57 7.095 6.287 -1.951 1.00 0.00 H new ATOM 0 HD2 TYR A 57 6.465 8.918 -5.242 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.913 4.500 -3.150 1.00 0.00 H new ATOM 0 HE2 TYR A 57 5.278 7.133 -6.443 1.00 0.00 H new ATOM 0 HH TYR A 57 4.566 5.043 -6.413 1.00 0.00 H new ATOM 911 N ASP A 58 4.604 9.915 -3.073 1.00 0.00 N ATOM 912 CA ASP A 58 3.606 10.605 -3.883 1.00 0.00 C ATOM 913 C ASP A 58 3.280 11.974 -3.293 1.00 0.00 C ATOM 914 O ASP A 58 3.263 12.979 -4.002 1.00 0.00 O ATOM 915 CB ASP A 58 2.333 9.764 -3.988 1.00 0.00 C ATOM 916 CG ASP A 58 1.476 10.158 -5.176 1.00 0.00 C ATOM 917 OD1 ASP A 58 1.920 9.945 -6.323 1.00 0.00 O ATOM 918 OD2 ASP A 58 0.363 10.679 -4.958 1.00 0.00 O ATOM 0 H ASP A 58 4.353 8.960 -2.818 1.00 0.00 H new ATOM 0 HA ASP A 58 4.020 10.749 -4.881 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.602 8.711 -4.071 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.752 9.873 -3.072 1.00 0.00 H new ATOM 923 N VAL A 59 3.019 12.003 -1.989 1.00 0.00 N ATOM 924 CA VAL A 59 2.693 13.248 -1.303 1.00 0.00 C ATOM 925 C VAL A 59 3.896 13.783 -0.534 1.00 0.00 C ATOM 926 O VAL A 59 4.201 14.974 -0.589 1.00 0.00 O ATOM 927 CB VAL A 59 1.517 13.059 -0.327 1.00 0.00 C ATOM 928 CG1 VAL A 59 0.271 12.606 -1.074 1.00 0.00 C ATOM 929 CG2 VAL A 59 1.885 12.066 0.765 1.00 0.00 C ATOM 0 H VAL A 59 3.027 11.179 -1.387 1.00 0.00 H new ATOM 0 HA VAL A 59 2.407 13.967 -2.071 1.00 0.00 H new ATOM 0 HB VAL A 59 1.301 14.018 0.144 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.550 12.478 -0.368 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.002 13.357 -1.815 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.471 11.658 -1.574 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.042 11.945 1.446 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.129 11.104 0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.748 12.437 1.318 1.00 0.00 H new ATOM 939 N GLY A 60 4.577 12.894 0.183 1.00 0.00 N ATOM 940 CA GLY A 60 5.739 13.296 0.953 1.00 0.00 C ATOM 941 C GLY A 60 5.528 13.141 2.446 1.00 0.00 C ATOM 942 O GLY A 60 5.810 14.057 3.218 1.00 0.00 O ATOM 0 H GLY A 60 4.344 11.903 0.244 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.598 12.699 0.647 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.977 14.336 0.729 1.00 0.00 H new ATOM 946 N VAL A 61 5.027 11.979 2.853 1.00 0.00 N ATOM 947 CA VAL A 61 4.777 11.707 4.264 1.00 0.00 C ATOM 948 C VAL A 61 5.250 10.310 4.647 1.00 0.00 C ATOM 949 O VAL A 61 4.868 9.322 4.021 1.00 0.00 O ATOM 950 CB VAL A 61 3.281 11.842 4.605 1.00 0.00 C ATOM 951 CG1 VAL A 61 2.992 11.264 5.982 1.00 0.00 C ATOM 952 CG2 VAL A 61 2.846 13.298 4.527 1.00 0.00 C ATOM 0 H VAL A 61 4.786 11.211 2.226 1.00 0.00 H new ATOM 0 HA VAL A 61 5.340 12.447 4.833 1.00 0.00 H new ATOM 0 HB VAL A 61 2.707 11.275 3.872 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.930 11.369 6.205 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.264 10.209 5.998 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.575 11.800 6.731 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.786 13.375 4.771 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.425 13.889 5.236 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.014 13.674 3.518 1.00 0.00 H new ATOM 962 N GLU A 62 6.084 10.235 5.679 1.00 0.00 N ATOM 963 CA GLU A 62 6.610 8.958 6.145 1.00 0.00 C ATOM 964 C GLU A 62 5.715 8.364 7.229 1.00 0.00 C ATOM 965 O GLU A 62 5.526 8.961 8.289 1.00 0.00 O ATOM 966 CB GLU A 62 8.033 9.131 6.681 1.00 0.00 C ATOM 967 CG GLU A 62 8.986 9.766 5.683 1.00 0.00 C ATOM 968 CD GLU A 62 10.174 10.430 6.352 1.00 0.00 C ATOM 969 OE1 GLU A 62 9.975 11.465 7.022 1.00 0.00 O ATOM 970 OE2 GLU A 62 11.303 9.915 6.206 1.00 0.00 O ATOM 0 H GLU A 62 6.410 11.044 6.208 1.00 0.00 H new ATOM 0 HA GLU A 62 6.630 8.272 5.298 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.001 9.745 7.581 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.423 8.156 6.974 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.343 9.003 4.991 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.447 10.506 5.091 1.00 0.00 H new ATOM 977 N LEU A 63 5.167 7.185 6.955 1.00 0.00 N ATOM 978 CA LEU A 63 4.291 6.509 7.905 1.00 0.00 C ATOM 979 C LEU A 63 4.345 4.997 7.715 1.00 0.00 C ATOM 980 O LEU A 63 5.005 4.498 6.803 1.00 0.00 O ATOM 981 CB LEU A 63 2.853 7.004 7.745 1.00 0.00 C ATOM 982 CG LEU A 63 1.965 6.192 6.802 1.00 0.00 C ATOM 983 CD1 LEU A 63 0.558 6.768 6.767 1.00 0.00 C ATOM 984 CD2 LEU A 63 2.564 6.156 5.404 1.00 0.00 C ATOM 0 H LEU A 63 5.314 6.678 6.082 1.00 0.00 H new ATOM 0 HA LEU A 63 4.639 6.743 8.911 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.384 7.021 8.729 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.882 8.034 7.388 1.00 0.00 H new ATOM 0 HG LEU A 63 1.908 5.170 7.177 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.060 6.178 6.091 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.129 6.740 7.768 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.596 7.799 6.417 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.918 5.574 4.746 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.652 7.172 5.020 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.552 5.696 5.443 1.00 0.00 H new ATOM 996 N VAL A 64 3.643 4.271 8.580 1.00 0.00 N ATOM 997 CA VAL A 64 3.608 2.815 8.505 1.00 0.00 C ATOM 998 C VAL A 64 2.174 2.298 8.538 1.00 0.00 C ATOM 999 O VAL A 64 1.378 2.697 9.389 1.00 0.00 O ATOM 1000 CB VAL A 64 4.400 2.174 9.660 1.00 0.00 C ATOM 1001 CG1 VAL A 64 3.945 2.738 10.997 1.00 0.00 C ATOM 1002 CG2 VAL A 64 4.252 0.661 9.632 1.00 0.00 C ATOM 0 H VAL A 64 3.091 4.667 9.341 1.00 0.00 H new ATOM 0 HA VAL A 64 4.071 2.535 7.559 1.00 0.00 H new ATOM 0 HB VAL A 64 5.455 2.415 9.532 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.516 2.273 11.801 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.108 3.816 11.012 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.884 2.530 11.138 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.818 0.225 10.455 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.200 0.396 9.735 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.632 0.276 8.686 1.00 0.00 H new ATOM 1012 N VAL A 65 1.851 1.406 7.607 1.00 0.00 N ATOM 1013 CA VAL A 65 0.513 0.832 7.530 1.00 0.00 C ATOM 1014 C VAL A 65 0.564 -0.690 7.590 1.00 0.00 C ATOM 1015 O VAL A 65 1.620 -1.294 7.407 1.00 0.00 O ATOM 1016 CB VAL A 65 -0.208 1.261 6.239 1.00 0.00 C ATOM 1017 CG1 VAL A 65 -0.200 2.775 6.100 1.00 0.00 C ATOM 1018 CG2 VAL A 65 0.434 0.602 5.027 1.00 0.00 C ATOM 0 H VAL A 65 2.498 1.065 6.896 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.043 1.208 8.389 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.246 0.932 6.296 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.714 3.059 5.182 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.709 3.221 6.954 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.829 3.132 6.065 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.088 0.916 4.123 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.481 0.899 4.963 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.369 -0.482 5.125 1.00 0.00 H new ATOM 1028 N ASN A 66 -0.586 -1.306 7.846 1.00 0.00 N ATOM 1029 CA ASN A 66 -0.673 -2.760 7.930 1.00 0.00 C ATOM 1030 C ASN A 66 -0.697 -3.384 6.538 1.00 0.00 C ATOM 1031 O ASN A 66 -1.442 -2.944 5.662 1.00 0.00 O ATOM 1032 CB ASN A 66 -1.923 -3.173 8.709 1.00 0.00 C ATOM 1033 CG ASN A 66 -1.738 -4.486 9.445 1.00 0.00 C ATOM 1034 OD1 ASN A 66 -0.670 -4.757 9.994 1.00 0.00 O ATOM 1035 ND2 ASN A 66 -2.781 -5.308 9.458 1.00 0.00 N ATOM 0 H ASN A 66 -1.470 -0.821 7.999 1.00 0.00 H new ATOM 0 HA ASN A 66 0.210 -3.123 8.456 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.177 -2.391 9.425 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.764 -3.261 8.021 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -2.716 -6.206 9.937 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.647 -5.041 8.989 1.00 0.00 H new ATOM 1042 N VAL A 67 0.121 -4.413 6.342 1.00 0.00 N ATOM 1043 CA VAL A 67 0.192 -5.099 5.058 1.00 0.00 C ATOM 1044 C VAL A 67 -1.199 -5.463 4.551 1.00 0.00 C ATOM 1045 O VAL A 67 -1.391 -5.717 3.362 1.00 0.00 O ATOM 1046 CB VAL A 67 1.043 -6.380 5.152 1.00 0.00 C ATOM 1047 CG1 VAL A 67 2.504 -6.034 5.396 1.00 0.00 C ATOM 1048 CG2 VAL A 67 0.513 -7.292 6.249 1.00 0.00 C ATOM 0 H VAL A 67 0.744 -4.790 7.056 1.00 0.00 H new ATOM 0 HA VAL A 67 0.662 -4.409 4.357 1.00 0.00 H new ATOM 0 HB VAL A 67 0.974 -6.912 4.203 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.089 -6.951 5.460 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.875 -5.423 4.574 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.596 -5.480 6.330 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.126 -8.192 6.302 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.551 -6.771 7.206 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.518 -7.567 6.027 1.00 0.00 H new ATOM 1058 N ASP A 68 -2.167 -5.486 5.461 1.00 0.00 N ATOM 1059 CA ASP A 68 -3.542 -5.817 5.107 1.00 0.00 C ATOM 1060 C ASP A 68 -4.122 -4.778 4.152 1.00 0.00 C ATOM 1061 O ASP A 68 -4.880 -5.113 3.241 1.00 0.00 O ATOM 1062 CB ASP A 68 -4.407 -5.910 6.365 1.00 0.00 C ATOM 1063 CG ASP A 68 -4.254 -7.240 7.075 1.00 0.00 C ATOM 1064 OD1 ASP A 68 -3.133 -7.791 7.070 1.00 0.00 O ATOM 1065 OD2 ASP A 68 -5.255 -7.731 7.637 1.00 0.00 O ATOM 0 H ASP A 68 -2.024 -5.279 6.450 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.539 -6.785 4.605 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.138 -5.104 7.048 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.453 -5.764 6.095 1.00 0.00 H new ATOM 1070 N CYS A 69 -3.761 -3.518 4.366 1.00 0.00 N ATOM 1071 CA CYS A 69 -4.247 -2.430 3.525 1.00 0.00 C ATOM 1072 C CYS A 69 -3.377 -2.272 2.282 1.00 0.00 C ATOM 1073 O CYS A 69 -3.839 -1.801 1.243 1.00 0.00 O ATOM 1074 CB CYS A 69 -4.272 -1.120 4.314 1.00 0.00 C ATOM 1075 SG CYS A 69 -5.767 -0.882 5.303 1.00 0.00 S ATOM 0 H CYS A 69 -3.133 -3.224 5.115 1.00 0.00 H new ATOM 0 HA CYS A 69 -5.261 -2.675 3.208 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -3.404 -1.089 4.973 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -4.173 -0.287 3.618 1.00 0.00 H new ATOM 0 HG CYS A 69 -5.693 0.252 5.935 1.00 0.00 H new ATOM 1081 N LEU A 70 -2.114 -2.669 2.397 1.00 0.00 N ATOM 1082 CA LEU A 70 -1.177 -2.571 1.283 1.00 0.00 C ATOM 1083 C LEU A 70 -1.647 -3.412 0.100 1.00 0.00 C ATOM 1084 O LEU A 70 -2.129 -4.531 0.274 1.00 0.00 O ATOM 1085 CB LEU A 70 0.217 -3.022 1.722 1.00 0.00 C ATOM 1086 CG LEU A 70 0.999 -2.037 2.592 1.00 0.00 C ATOM 1087 CD1 LEU A 70 2.371 -2.598 2.932 1.00 0.00 C ATOM 1088 CD2 LEU A 70 1.129 -0.693 1.889 1.00 0.00 C ATOM 0 H LEU A 70 -1.716 -3.062 3.250 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.133 -1.528 0.969 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.118 -3.960 2.269 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.806 -3.234 0.830 1.00 0.00 H new ATOM 0 HG LEU A 70 0.450 -1.887 3.522 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.913 -1.883 3.551 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.256 -3.536 3.476 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.929 -2.778 2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.688 -0.004 2.522 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.656 -0.826 0.944 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.137 -0.285 1.697 1.00 0.00 H new ATOM 1100 N ARG A 71 -1.503 -2.865 -1.102 1.00 0.00 N ATOM 1101 CA ARG A 71 -1.911 -3.565 -2.314 1.00 0.00 C ATOM 1102 C ARG A 71 -0.762 -3.638 -3.314 1.00 0.00 C ATOM 1103 O ARG A 71 0.044 -2.712 -3.420 1.00 0.00 O ATOM 1104 CB ARG A 71 -3.113 -2.866 -2.952 1.00 0.00 C ATOM 1105 CG ARG A 71 -4.442 -3.231 -2.310 1.00 0.00 C ATOM 1106 CD ARG A 71 -4.801 -4.687 -2.562 1.00 0.00 C ATOM 1107 NE ARG A 71 -6.226 -4.941 -2.367 1.00 0.00 N ATOM 1108 CZ ARG A 71 -6.775 -5.175 -1.180 1.00 0.00 C ATOM 1109 NH1 ARG A 71 -6.022 -5.188 -0.088 1.00 0.00 N ATOM 1110 NH2 ARG A 71 -8.079 -5.398 -1.083 1.00 0.00 N ATOM 0 H ARG A 71 -1.107 -1.939 -1.263 1.00 0.00 H new ATOM 0 HA ARG A 71 -2.194 -4.581 -2.038 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -2.972 -1.787 -2.887 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.149 -3.119 -4.012 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.391 -3.048 -1.237 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.228 -2.588 -2.706 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -4.520 -4.959 -3.580 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -4.224 -5.324 -1.891 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.833 -4.939 -3.187 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -5.019 -5.018 -0.158 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -6.446 -5.368 0.822 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.661 -5.390 -1.920 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.499 -5.578 -0.171 1.00 0.00 H new ATOM 1124 N LYS A 72 -0.691 -4.744 -4.047 1.00 0.00 N ATOM 1125 CA LYS A 72 0.359 -4.938 -5.040 1.00 0.00 C ATOM 1126 C LYS A 72 0.140 -4.034 -6.248 1.00 0.00 C ATOM 1127 O LYS A 72 -0.876 -4.136 -6.937 1.00 0.00 O ATOM 1128 CB LYS A 72 0.403 -6.402 -5.486 1.00 0.00 C ATOM 1129 CG LYS A 72 0.748 -7.369 -4.367 1.00 0.00 C ATOM 1130 CD LYS A 72 1.379 -8.642 -4.905 1.00 0.00 C ATOM 1131 CE LYS A 72 0.325 -9.617 -5.407 1.00 0.00 C ATOM 1132 NZ LYS A 72 0.878 -10.989 -5.582 1.00 0.00 N ATOM 0 H LYS A 72 -1.349 -5.520 -3.972 1.00 0.00 H new ATOM 0 HA LYS A 72 1.312 -4.675 -4.581 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.566 -6.675 -5.905 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.137 -6.508 -6.285 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.434 -6.889 -3.669 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.154 -7.617 -3.808 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.064 -8.395 -5.716 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.971 -9.116 -4.121 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.506 -9.648 -4.703 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.075 -9.262 -6.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.129 -11.624 -5.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.655 -10.965 -6.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.237 -11.338 -4.670 1.00 0.00 H new ATOM 1146 N LEU A 73 1.099 -3.150 -6.502 1.00 0.00 N ATOM 1147 CA LEU A 73 1.011 -2.228 -7.629 1.00 0.00 C ATOM 1148 C LEU A 73 1.098 -2.978 -8.954 1.00 0.00 C ATOM 1149 O LEU A 73 2.189 -3.284 -9.434 1.00 0.00 O ATOM 1150 CB LEU A 73 2.125 -1.183 -7.546 1.00 0.00 C ATOM 1151 CG LEU A 73 1.826 0.170 -8.191 1.00 0.00 C ATOM 1152 CD1 LEU A 73 1.072 1.068 -7.222 1.00 0.00 C ATOM 1153 CD2 LEU A 73 3.113 0.840 -8.650 1.00 0.00 C ATOM 0 H LEU A 73 1.946 -3.052 -5.943 1.00 0.00 H new ATOM 0 HA LEU A 73 0.045 -1.725 -7.581 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.363 -1.017 -6.495 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.019 -1.596 -8.014 1.00 0.00 H new ATOM 0 HG LEU A 73 1.196 0.002 -9.065 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.868 2.027 -7.698 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.131 0.594 -6.943 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.676 1.228 -6.329 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.880 1.802 -9.107 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.768 0.995 -7.793 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.614 0.204 -9.380 1.00 0.00 H new ATOM 1165 N GLU A 74 -0.059 -3.269 -9.541 1.00 0.00 N ATOM 1166 CA GLU A 74 -0.112 -3.982 -10.812 1.00 0.00 C ATOM 1167 C GLU A 74 0.528 -3.157 -11.925 1.00 0.00 C ATOM 1168 O GLU A 74 0.440 -1.930 -11.931 1.00 0.00 O ATOM 1169 CB GLU A 74 -1.561 -4.313 -11.176 1.00 0.00 C ATOM 1170 CG GLU A 74 -2.228 -5.272 -10.205 1.00 0.00 C ATOM 1171 CD GLU A 74 -1.826 -6.715 -10.440 1.00 0.00 C ATOM 1172 OE1 GLU A 74 -2.057 -7.220 -11.559 1.00 0.00 O ATOM 1173 OE2 GLU A 74 -1.281 -7.338 -9.506 1.00 0.00 O ATOM 0 H GLU A 74 -0.971 -3.022 -9.157 1.00 0.00 H new ATOM 0 HA GLU A 74 0.449 -4.910 -10.703 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.137 -3.389 -11.214 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.586 -4.746 -12.176 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.969 -4.988 -9.185 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.310 -5.181 -10.296 1.00 0.00 H new ATOM 1180 N GLU A 75 1.173 -3.842 -12.865 1.00 0.00 N ATOM 1181 CA GLU A 75 1.829 -3.173 -13.982 1.00 0.00 C ATOM 1182 C GLU A 75 0.817 -2.403 -14.825 1.00 0.00 C ATOM 1183 O GLU A 75 1.161 -1.426 -15.489 1.00 0.00 O ATOM 1184 CB GLU A 75 2.565 -4.192 -14.854 1.00 0.00 C ATOM 1185 CG GLU A 75 1.646 -5.207 -15.513 1.00 0.00 C ATOM 1186 CD GLU A 75 2.327 -5.973 -16.630 1.00 0.00 C ATOM 1187 OE1 GLU A 75 3.050 -6.946 -16.328 1.00 0.00 O ATOM 1188 OE2 GLU A 75 2.137 -5.600 -17.806 1.00 0.00 O ATOM 0 H GLU A 75 1.255 -4.859 -12.875 1.00 0.00 H new ATOM 0 HA GLU A 75 2.551 -2.465 -13.575 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.120 -3.662 -15.627 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.296 -4.720 -14.242 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.289 -5.910 -14.761 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.770 -4.694 -15.911 1.00 0.00 H new ATOM 1195 N ASN A 76 -0.434 -2.851 -14.793 1.00 0.00 N ATOM 1196 CA ASN A 76 -1.497 -2.205 -15.555 1.00 0.00 C ATOM 1197 C ASN A 76 -1.860 -0.854 -14.945 1.00 0.00 C ATOM 1198 O ASN A 76 -1.752 0.184 -15.600 1.00 0.00 O ATOM 1199 CB ASN A 76 -2.735 -3.103 -15.606 1.00 0.00 C ATOM 1200 CG ASN A 76 -3.926 -2.411 -16.239 1.00 0.00 C ATOM 1201 OD1 ASN A 76 -4.938 -2.167 -15.581 1.00 0.00 O ATOM 1202 ND2 ASN A 76 -3.811 -2.090 -17.522 1.00 0.00 N ATOM 0 H ASN A 76 -0.736 -3.658 -14.248 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.134 -2.040 -16.569 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -2.502 -4.007 -16.169 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -2.995 -3.416 -14.595 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -4.580 -1.622 -18.001 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -2.954 -2.311 -18.028 1.00 0.00 H new ATOM 1209 N LEU A 77 -2.290 -0.875 -13.689 1.00 0.00 N ATOM 1210 CA LEU A 77 -2.669 0.348 -12.989 1.00 0.00 C ATOM 1211 C LEU A 77 -1.474 1.285 -12.845 1.00 0.00 C ATOM 1212 O LEU A 77 -1.629 2.506 -12.812 1.00 0.00 O ATOM 1213 CB LEU A 77 -3.238 0.014 -11.609 1.00 0.00 C ATOM 1214 CG LEU A 77 -4.518 -0.823 -11.596 1.00 0.00 C ATOM 1215 CD1 LEU A 77 -4.836 -1.290 -10.184 1.00 0.00 C ATOM 1216 CD2 LEU A 77 -5.681 -0.028 -12.171 1.00 0.00 C ATOM 0 H LEU A 77 -2.385 -1.725 -13.134 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.435 0.852 -13.579 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.474 -0.518 -11.042 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.433 0.948 -11.083 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.361 -1.702 -12.221 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.750 -1.884 -10.194 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.013 -1.897 -9.808 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.974 -0.424 -9.537 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.583 -0.639 -12.154 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.839 0.869 -11.573 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.455 0.256 -13.199 1.00 0.00 H new