USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 521 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: B 23 SER OG : rot 180:sc= 0.469 USER MOD Set 1.2: B 26 THR OG1 : rot 124:sc= 0.519 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 166:sc= -0.459 (180deg=-1.1) USER MOD Set 2.2: A 10 THR OG1 : rot 68:sc= 0.288 USER MOD Single : A 5 LYS NZ :NH3+ 169:sc= 0.129 (180deg=-0.0133) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc=-0.000987 USER MOD Single : A 28 THR OG1 : rot 76:sc= 0.405 USER MOD Single : A 29 TYR OH : rot -129:sc= 0.193 USER MOD Single : A 31 LYS NZ :NH3+ -158:sc= -1.34 (180deg=-1.74) USER MOD Single : A 36 LYS NZ :NH3+ -152:sc= -3.73 (180deg=-5.54!) USER MOD Single : B 6 LYS NZ :NH3+ -104:sc= -1.01 (180deg=-3.53!) USER MOD Single : B 8 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 THR OG1 : rot -150:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 165:sc= -0.0168 (180deg=-0.246) USER MOD Single : B 15 SER OG : rot 75:sc= 0.117 USER MOD Single : B 16 MET CE :methyl 169:sc= -0.515 (180deg=-0.686) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 LYS NZ :NH3+ 171:sc=-0.00482 (180deg=-0.144) USER MOD Single : B 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.166) USER MOD Single : B 31 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.144) USER MOD ----------------------------------------------------------------- ATOM 26 N ILE A 3 0.469 -13.007 2.519 1.00 0.00 N ATOM 27 CA ILE A 3 -0.863 -12.419 2.758 1.00 0.00 C ATOM 28 C ILE A 3 -1.921 -13.184 1.945 1.00 0.00 C ATOM 29 O ILE A 3 -1.730 -13.473 0.763 1.00 0.00 O ATOM 30 CB ILE A 3 -0.835 -10.926 2.332 1.00 0.00 C ATOM 31 CG1 ILE A 3 0.196 -10.129 3.175 1.00 0.00 C ATOM 32 CG2 ILE A 3 -2.239 -10.280 2.389 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.288 -8.630 2.817 1.00 0.00 C ATOM 0 HA ILE A 3 -1.118 -12.491 3.815 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.516 -10.889 1.290 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.064 -10.223 4.229 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.179 -10.582 3.048 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.172 -9.236 2.083 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.912 -10.812 1.717 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.624 -10.336 3.407 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.031 -8.149 3.453 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.580 -8.523 1.772 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.682 -8.159 2.973 1.00 0.00 H new ATOM 45 N PRO A 4 -3.067 -13.532 2.549 1.00 0.00 N ATOM 46 CA PRO A 4 -4.132 -14.299 1.882 1.00 0.00 C ATOM 47 C PRO A 4 -5.010 -13.440 0.962 1.00 0.00 C ATOM 48 O PRO A 4 -5.018 -12.209 0.979 1.00 0.00 O ATOM 49 CB PRO A 4 -4.957 -14.824 3.067 1.00 0.00 C ATOM 50 CG PRO A 4 -4.880 -13.674 4.058 1.00 0.00 C ATOM 51 CD PRO A 4 -3.414 -13.227 3.949 1.00 0.00 C ATOM 0 HA PRO A 4 -3.728 -15.072 1.228 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -5.985 -15.044 2.780 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -4.538 -15.742 3.478 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -5.568 -12.870 3.798 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -5.131 -13.994 5.069 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -3.300 -12.166 4.169 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -2.776 -13.768 4.648 1.00 0.00 H new ATOM 59 N LYS A 5 -5.801 -14.157 0.159 1.00 0.00 N ATOM 60 CA LYS A 5 -6.729 -13.540 -0.808 1.00 0.00 C ATOM 61 C LYS A 5 -7.713 -12.580 -0.122 1.00 0.00 C ATOM 62 O LYS A 5 -8.000 -11.478 -0.586 1.00 0.00 O ATOM 63 CB LYS A 5 -7.514 -14.660 -1.528 1.00 0.00 C ATOM 64 CG LYS A 5 -8.352 -14.144 -2.718 1.00 0.00 C ATOM 65 CD LYS A 5 -9.157 -15.258 -3.423 1.00 0.00 C ATOM 66 CE LYS A 5 -10.269 -15.871 -2.545 1.00 0.00 C ATOM 67 NZ LYS A 5 -11.242 -14.832 -2.179 1.00 0.00 N ATOM 0 H LYS A 5 -5.821 -15.177 0.156 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.146 -12.959 -1.522 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.813 -15.415 -1.885 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.174 -15.151 -0.812 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.040 -13.376 -2.364 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.690 -13.669 -3.442 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.605 -14.852 -4.330 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.473 -16.048 -3.732 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.768 -16.676 -3.084 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.836 -16.309 -1.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.079 -15.276 -1.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.810 -14.177 -1.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.526 -14.307 -3.031 1.00 0.00 H new ATOM 81 N LYS A 6 -8.227 -13.042 1.023 1.00 0.00 N ATOM 82 CA LYS A 6 -9.185 -12.270 1.839 1.00 0.00 C ATOM 83 C LYS A 6 -8.663 -10.852 2.112 1.00 0.00 C ATOM 84 O LYS A 6 -9.305 -9.843 1.819 1.00 0.00 O ATOM 85 CB LYS A 6 -9.411 -13.026 3.174 1.00 0.00 C ATOM 86 CG LYS A 6 -10.680 -12.608 3.960 1.00 0.00 C ATOM 87 CD LYS A 6 -10.727 -11.143 4.451 1.00 0.00 C ATOM 88 CE LYS A 6 -9.567 -10.773 5.395 1.00 0.00 C ATOM 89 NZ LYS A 6 -9.670 -9.352 5.757 1.00 0.00 N ATOM 0 H LYS A 6 -7.996 -13.956 1.413 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.126 -12.173 1.297 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.468 -14.094 2.964 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.541 -12.873 3.812 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.549 -12.785 3.327 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.778 -13.263 4.826 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.708 -10.478 3.587 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.672 -10.971 4.965 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.601 -11.392 6.292 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.611 -10.968 4.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -9.046 -9.154 6.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.384 -8.766 4.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -10.653 -9.130 6.015 1.00 0.00 H new ATOM 103 N ILE A 7 -7.447 -10.790 2.664 1.00 0.00 N ATOM 104 CA ILE A 7 -6.811 -9.500 2.992 1.00 0.00 C ATOM 105 C ILE A 7 -6.689 -8.586 1.763 1.00 0.00 C ATOM 106 O ILE A 7 -7.055 -7.416 1.795 1.00 0.00 O ATOM 107 CB ILE A 7 -5.425 -9.734 3.648 1.00 0.00 C ATOM 108 CG1 ILE A 7 -5.546 -10.430 5.028 1.00 0.00 C ATOM 109 CG2 ILE A 7 -4.586 -8.433 3.752 1.00 0.00 C ATOM 110 CD1 ILE A 7 -6.172 -9.543 6.124 1.00 0.00 C ATOM 0 H ILE A 7 -6.883 -11.608 2.893 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.456 -8.987 3.706 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.887 -10.408 2.981 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -6.148 -11.332 4.917 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.555 -10.746 5.353 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.626 -8.655 4.219 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.419 -8.027 2.754 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.122 -7.701 4.356 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.222 -10.101 7.059 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.560 -8.652 6.265 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -7.177 -9.248 5.823 1.00 0.00 H new ATOM 122 N TRP A 8 -6.165 -9.139 0.664 1.00 0.00 N ATOM 123 CA TRP A 8 -5.990 -8.368 -0.588 1.00 0.00 C ATOM 124 C TRP A 8 -7.281 -7.674 -1.061 1.00 0.00 C ATOM 125 O TRP A 8 -7.303 -6.528 -1.510 1.00 0.00 O ATOM 126 CB TRP A 8 -5.452 -9.291 -1.703 1.00 0.00 C ATOM 127 CG TRP A 8 -4.016 -9.728 -1.386 1.00 0.00 C ATOM 128 CD1 TRP A 8 -3.543 -11.047 -1.287 1.00 0.00 C ATOM 129 CD2 TRP A 8 -2.891 -8.912 -1.162 1.00 0.00 C ATOM 130 NE1 TRP A 8 -2.211 -11.071 -1.015 1.00 0.00 N ATOM 131 CE2 TRP A 8 -1.788 -9.774 -0.937 1.00 0.00 C ATOM 132 CE3 TRP A 8 -2.705 -7.526 -1.150 1.00 0.00 C ATOM 133 CZ2 TRP A 8 -0.526 -9.225 -0.703 1.00 0.00 C ATOM 134 CZ3 TRP A 8 -1.436 -6.991 -0.915 1.00 0.00 C ATOM 135 CH2 TRP A 8 -0.351 -7.839 -0.691 1.00 0.00 C ATOM 0 H TRP A 8 -5.855 -10.109 0.608 1.00 0.00 H new ATOM 0 HA TRP A 8 -5.271 -7.578 -0.371 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -6.093 -10.167 -1.800 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -5.478 -8.770 -2.660 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -4.157 -11.927 -1.411 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.634 -11.903 -0.892 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -3.544 -6.868 -1.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 0.319 -9.875 -0.530 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -1.295 -5.920 -0.907 1.00 0.00 H new ATOM 0 HH2 TRP A 8 0.628 -7.422 -0.508 1.00 0.00 H new ATOM 146 N GLU A 9 -8.383 -8.420 -0.960 1.00 0.00 N ATOM 147 CA GLU A 9 -9.720 -7.908 -1.321 1.00 0.00 C ATOM 148 C GLU A 9 -10.179 -6.767 -0.398 1.00 0.00 C ATOM 149 O GLU A 9 -10.701 -5.735 -0.818 1.00 0.00 O ATOM 150 CB GLU A 9 -10.726 -9.077 -1.261 1.00 0.00 C ATOM 151 CG GLU A 9 -10.385 -10.159 -2.309 1.00 0.00 C ATOM 152 CD GLU A 9 -11.200 -11.437 -2.072 1.00 0.00 C ATOM 153 OE1 GLU A 9 -11.037 -12.055 -1.020 1.00 0.00 O ATOM 154 OE2 GLU A 9 -11.982 -11.809 -2.945 1.00 0.00 O ATOM 0 H GLU A 9 -8.382 -9.385 -0.631 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.669 -7.495 -2.328 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.718 -9.517 -0.264 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.735 -8.702 -1.436 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.587 -9.776 -3.310 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.321 -10.390 -2.264 1.00 0.00 H new ATOM 161 N THR A 10 -9.975 -6.985 0.904 1.00 0.00 N ATOM 162 CA THR A 10 -10.358 -6.006 1.942 1.00 0.00 C ATOM 163 C THR A 10 -9.628 -4.663 1.780 1.00 0.00 C ATOM 164 O THR A 10 -10.197 -3.574 1.852 1.00 0.00 O ATOM 165 CB THR A 10 -10.058 -6.614 3.335 1.00 0.00 C ATOM 166 OG1 THR A 10 -10.846 -7.796 3.506 1.00 0.00 O ATOM 167 CG2 THR A 10 -10.353 -5.649 4.504 1.00 0.00 C ATOM 0 H THR A 10 -9.545 -7.833 1.272 1.00 0.00 H new ATOM 0 HA THR A 10 -11.423 -5.798 1.837 1.00 0.00 H new ATOM 0 HB THR A 10 -8.990 -6.832 3.361 1.00 0.00 H new ATOM 0 HG1 THR A 10 -10.530 -8.491 2.892 1.00 0.00 H new ATOM 0 HG21 THR A 10 -10.120 -6.140 5.449 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.740 -4.754 4.400 1.00 0.00 H new ATOM 0 HG23 THR A 10 -11.407 -5.371 4.489 1.00 0.00 H new ATOM 175 N VAL A 11 -8.315 -4.768 1.566 1.00 0.00 N ATOM 176 CA VAL A 11 -7.434 -3.590 1.465 1.00 0.00 C ATOM 177 C VAL A 11 -7.662 -2.770 0.189 1.00 0.00 C ATOM 178 O VAL A 11 -7.528 -1.548 0.188 1.00 0.00 O ATOM 179 CB VAL A 11 -5.944 -3.997 1.609 1.00 0.00 C ATOM 180 CG1 VAL A 11 -5.673 -4.671 2.973 1.00 0.00 C ATOM 181 CG2 VAL A 11 -5.428 -4.861 0.440 1.00 0.00 C ATOM 0 H VAL A 11 -7.831 -5.659 1.458 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.700 -2.937 2.296 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.374 -3.069 1.569 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.620 -4.944 3.041 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.921 -3.978 3.777 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.286 -5.567 3.064 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.380 -5.109 0.606 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.013 -5.779 0.380 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.526 -4.307 -0.493 1.00 0.00 H new ATOM 191 N CYS A 12 -8.028 -3.470 -0.897 1.00 0.00 N ATOM 192 CA CYS A 12 -8.229 -2.886 -2.247 1.00 0.00 C ATOM 193 C CYS A 12 -8.559 -1.380 -2.306 1.00 0.00 C ATOM 194 O CYS A 12 -7.787 -0.608 -2.874 1.00 0.00 O ATOM 195 CB CYS A 12 -9.347 -3.656 -2.988 1.00 0.00 C ATOM 196 SG CYS A 12 -8.804 -5.118 -3.904 1.00 0.00 S ATOM 0 H CYS A 12 -8.197 -4.475 -0.868 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.254 -2.989 -2.724 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -10.098 -3.962 -2.260 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -9.836 -2.973 -3.683 1.00 0.00 H new ATOM 201 N PRO A 13 -9.682 -0.908 -1.741 1.00 0.00 N ATOM 202 CA PRO A 13 -10.095 0.507 -1.812 1.00 0.00 C ATOM 203 C PRO A 13 -9.125 1.469 -1.109 1.00 0.00 C ATOM 204 O PRO A 13 -8.720 2.508 -1.626 1.00 0.00 O ATOM 205 CB PRO A 13 -11.479 0.519 -1.140 1.00 0.00 C ATOM 206 CG PRO A 13 -11.422 -0.657 -0.176 1.00 0.00 C ATOM 207 CD PRO A 13 -10.655 -1.713 -0.982 1.00 0.00 C ATOM 0 HA PRO A 13 -10.108 0.862 -2.842 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -11.662 1.457 -0.616 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -12.280 0.400 -1.870 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -10.906 -0.399 0.749 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.418 -1.003 0.101 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -10.161 -2.436 -0.333 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.316 -2.276 -1.642 1.00 0.00 H new ATOM 215 N THR A 14 -8.754 1.088 0.116 1.00 0.00 N ATOM 216 CA THR A 14 -7.844 1.890 0.956 1.00 0.00 C ATOM 217 C THR A 14 -6.462 2.081 0.305 1.00 0.00 C ATOM 218 O THR A 14 -5.875 3.163 0.277 1.00 0.00 O ATOM 219 CB THR A 14 -7.683 1.182 2.323 1.00 0.00 C ATOM 220 OG1 THR A 14 -8.969 0.980 2.915 1.00 0.00 O ATOM 221 CG2 THR A 14 -6.807 1.977 3.314 1.00 0.00 C ATOM 0 H THR A 14 -9.070 0.223 0.556 1.00 0.00 H new ATOM 0 HA THR A 14 -8.279 2.882 1.079 1.00 0.00 H new ATOM 0 HB THR A 14 -7.185 0.233 2.125 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.864 0.530 3.779 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.732 1.429 4.253 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.811 2.112 2.892 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.258 2.952 3.498 1.00 0.00 H new ATOM 229 N VAL A 15 -5.932 0.968 -0.211 1.00 0.00 N ATOM 230 CA VAL A 15 -4.604 0.946 -0.853 1.00 0.00 C ATOM 231 C VAL A 15 -4.585 1.594 -2.247 1.00 0.00 C ATOM 232 O VAL A 15 -3.573 2.112 -2.712 1.00 0.00 O ATOM 233 CB VAL A 15 -4.048 -0.498 -0.914 1.00 0.00 C ATOM 234 CG1 VAL A 15 -3.943 -1.112 0.499 1.00 0.00 C ATOM 235 CG2 VAL A 15 -4.836 -1.422 -1.868 1.00 0.00 C ATOM 0 H VAL A 15 -6.402 0.063 -0.199 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.954 1.556 -0.225 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.046 -0.419 -1.335 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.550 -2.126 0.427 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.274 -0.506 1.110 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.931 -1.138 0.959 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.391 -2.417 -1.861 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.873 -1.486 -1.539 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.801 -1.016 -2.879 1.00 0.00 H new ATOM 245 N GLU A 16 -5.743 1.542 -2.920 1.00 0.00 N ATOM 246 CA GLU A 16 -5.897 2.050 -4.300 1.00 0.00 C ATOM 247 C GLU A 16 -5.248 3.429 -4.529 1.00 0.00 C ATOM 248 O GLU A 16 -4.393 3.560 -5.401 1.00 0.00 O ATOM 249 CB GLU A 16 -7.403 2.076 -4.676 1.00 0.00 C ATOM 250 CG GLU A 16 -7.732 2.555 -6.114 1.00 0.00 C ATOM 251 CD GLU A 16 -7.499 4.066 -6.290 1.00 0.00 C ATOM 252 OE1 GLU A 16 -8.140 4.852 -5.594 1.00 0.00 O ATOM 253 OE2 GLU A 16 -6.678 4.441 -7.125 1.00 0.00 O ATOM 0 H GLU A 16 -6.599 1.149 -2.529 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.360 1.364 -4.955 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.808 1.072 -4.546 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.923 2.723 -3.970 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.115 2.008 -6.827 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.771 2.320 -6.345 1.00 0.00 H new ATOM 260 N PRO A 17 -5.603 4.480 -3.772 1.00 0.00 N ATOM 261 CA PRO A 17 -5.068 5.838 -3.979 1.00 0.00 C ATOM 262 C PRO A 17 -3.542 5.928 -3.845 1.00 0.00 C ATOM 263 O PRO A 17 -2.853 6.601 -4.610 1.00 0.00 O ATOM 264 CB PRO A 17 -5.777 6.689 -2.908 1.00 0.00 C ATOM 265 CG PRO A 17 -6.120 5.681 -1.823 1.00 0.00 C ATOM 266 CD PRO A 17 -6.537 4.450 -2.636 1.00 0.00 C ATOM 0 HA PRO A 17 -5.257 6.180 -4.997 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.129 7.480 -2.530 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.670 7.171 -3.305 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.266 5.472 -1.178 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.926 6.035 -1.180 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.441 3.531 -2.057 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.575 4.514 -2.963 1.00 0.00 H new ATOM 274 N TRP A 18 -3.012 5.231 -2.832 1.00 0.00 N ATOM 275 CA TRP A 18 -1.554 5.216 -2.600 1.00 0.00 C ATOM 276 C TRP A 18 -0.800 4.587 -3.780 1.00 0.00 C ATOM 277 O TRP A 18 0.047 5.200 -4.427 1.00 0.00 O ATOM 278 CB TRP A 18 -1.194 4.447 -1.306 1.00 0.00 C ATOM 279 CG TRP A 18 -1.868 5.059 -0.074 1.00 0.00 C ATOM 280 CD1 TRP A 18 -1.972 6.421 0.255 1.00 0.00 C ATOM 281 CD2 TRP A 18 -2.441 4.370 1.011 1.00 0.00 C ATOM 282 NE1 TRP A 18 -2.565 6.590 1.467 1.00 0.00 N ATOM 283 CE2 TRP A 18 -2.861 5.349 1.950 1.00 0.00 C ATOM 284 CE3 TRP A 18 -2.616 3.015 1.289 1.00 0.00 C ATOM 285 CZ2 TRP A 18 -3.463 4.935 3.139 1.00 0.00 C ATOM 286 CZ3 TRP A 18 -3.218 2.618 2.483 1.00 0.00 C ATOM 287 CH2 TRP A 18 -3.641 3.576 3.406 1.00 0.00 C ATOM 0 H TRP A 18 -3.555 4.678 -2.169 1.00 0.00 H new ATOM 0 HA TRP A 18 -1.248 6.257 -2.496 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -1.497 3.405 -1.406 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -0.113 4.452 -1.169 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -1.626 7.229 -0.373 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.753 7.480 1.929 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.285 2.272 0.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -3.793 5.671 3.857 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.357 1.568 2.694 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -4.107 3.265 4.329 1.00 0.00 H new ATOM 298 N ALA A 19 -1.147 3.326 -4.061 1.00 0.00 N ATOM 299 CA ALA A 19 -0.523 2.537 -5.144 1.00 0.00 C ATOM 300 C ALA A 19 -0.565 3.246 -6.505 1.00 0.00 C ATOM 301 O ALA A 19 0.390 3.271 -7.280 1.00 0.00 O ATOM 302 CB ALA A 19 -1.241 1.178 -5.248 1.00 0.00 C ATOM 0 H ALA A 19 -1.868 2.818 -3.548 1.00 0.00 H new ATOM 0 HA ALA A 19 0.529 2.407 -4.890 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.788 0.587 -6.044 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.148 0.644 -4.302 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.296 1.340 -5.471 1.00 0.00 H new ATOM 308 N LYS A 20 -1.738 3.818 -6.794 1.00 0.00 N ATOM 309 CA LYS A 20 -1.947 4.635 -8.003 1.00 0.00 C ATOM 310 C LYS A 20 -0.908 5.764 -8.087 1.00 0.00 C ATOM 311 O LYS A 20 -0.207 5.961 -9.079 1.00 0.00 O ATOM 312 CB LYS A 20 -3.376 5.223 -7.949 1.00 0.00 C ATOM 313 CG LYS A 20 -3.704 6.180 -9.117 1.00 0.00 C ATOM 314 CD LYS A 20 -5.130 6.753 -9.010 1.00 0.00 C ATOM 315 CE LYS A 20 -5.439 7.777 -10.120 1.00 0.00 C ATOM 316 NZ LYS A 20 -6.806 8.288 -9.944 1.00 0.00 N ATOM 0 H LYS A 20 -2.566 3.732 -6.205 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.829 4.013 -8.890 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.095 4.404 -7.950 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.503 5.758 -7.008 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.984 6.998 -9.128 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.597 5.648 -10.062 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.851 5.937 -9.062 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.255 7.228 -8.037 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.724 8.599 -10.082 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.336 7.310 -11.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.017 8.979 -10.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.481 7.499 -10.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.888 8.748 -9.015 1.00 0.00 H new ATOM 330 N LYS A 21 -0.838 6.524 -6.993 1.00 0.00 N ATOM 331 CA LYS A 21 0.165 7.593 -6.838 1.00 0.00 C ATOM 332 C LYS A 21 1.483 7.038 -6.267 1.00 0.00 C ATOM 333 O LYS A 21 2.070 7.522 -5.300 1.00 0.00 O ATOM 334 CB LYS A 21 -0.422 8.671 -5.899 1.00 0.00 C ATOM 335 CG LYS A 21 -1.706 9.325 -6.456 1.00 0.00 C ATOM 336 CD LYS A 21 -2.334 10.339 -5.475 1.00 0.00 C ATOM 337 CE LYS A 21 -1.413 11.535 -5.163 1.00 0.00 C ATOM 338 NZ LYS A 21 -2.085 12.433 -4.213 1.00 0.00 N ATOM 0 H LYS A 21 -1.465 6.423 -6.195 1.00 0.00 H new ATOM 0 HA LYS A 21 0.393 8.026 -7.812 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.641 8.221 -4.931 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.328 9.444 -5.729 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.474 9.829 -7.394 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.435 8.547 -6.684 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.269 10.709 -5.895 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.583 9.828 -4.545 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.471 11.183 -4.743 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.172 12.072 -6.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.465 13.241 -4.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.973 12.778 -4.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.293 11.916 -3.335 1.00 0.00 H new ATOM 352 N CYS A 22 1.964 5.973 -6.914 1.00 0.00 N ATOM 353 CA CYS A 22 3.214 5.316 -6.498 1.00 0.00 C ATOM 354 C CYS A 22 3.846 4.552 -7.673 1.00 0.00 C ATOM 355 O CYS A 22 3.279 4.366 -8.749 1.00 0.00 O ATOM 356 CB CYS A 22 2.924 4.339 -5.333 1.00 0.00 C ATOM 357 SG CYS A 22 4.432 3.739 -4.537 1.00 0.00 S ATOM 0 H CYS A 22 1.513 5.547 -7.723 1.00 0.00 H new ATOM 0 HA CYS A 22 3.916 6.082 -6.168 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.300 4.838 -4.592 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.354 3.490 -5.709 1.00 0.00 H new ATOM 362 N SER A 23 5.073 4.088 -7.423 1.00 0.00 N ATOM 363 CA SER A 23 5.882 3.403 -8.449 1.00 0.00 C ATOM 364 C SER A 23 6.809 2.346 -7.824 1.00 0.00 C ATOM 365 O SER A 23 6.819 2.073 -6.622 1.00 0.00 O ATOM 366 CB SER A 23 6.730 4.462 -9.197 1.00 0.00 C ATOM 367 OG SER A 23 5.877 5.418 -9.839 1.00 0.00 O ATOM 0 H SER A 23 5.534 4.172 -6.517 1.00 0.00 H new ATOM 0 HA SER A 23 5.212 2.890 -9.138 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.393 4.969 -8.496 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.363 3.974 -9.938 1.00 0.00 H new ATOM 0 HG SER A 23 6.424 6.083 -10.307 1.00 0.00 H new ATOM 373 N GLY A 24 7.614 1.732 -8.694 1.00 0.00 N ATOM 374 CA GLY A 24 8.557 0.678 -8.278 1.00 0.00 C ATOM 375 C GLY A 24 7.915 -0.715 -8.250 1.00 0.00 C ATOM 376 O GLY A 24 6.729 -0.935 -8.504 1.00 0.00 O ATOM 0 H GLY A 24 7.636 1.943 -9.692 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.407 0.668 -8.960 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.945 0.914 -7.287 1.00 0.00 H new ATOM 380 N ASP A 25 8.767 -1.683 -7.911 1.00 0.00 N ATOM 381 CA ASP A 25 8.402 -3.114 -7.924 1.00 0.00 C ATOM 382 C ASP A 25 7.237 -3.450 -6.987 1.00 0.00 C ATOM 383 O ASP A 25 6.284 -4.145 -7.335 1.00 0.00 O ATOM 384 CB ASP A 25 9.635 -3.951 -7.520 1.00 0.00 C ATOM 385 CG ASP A 25 10.795 -3.701 -8.497 1.00 0.00 C ATOM 386 OD1 ASP A 25 10.684 -4.087 -9.661 1.00 0.00 O ATOM 387 OD2 ASP A 25 11.795 -3.115 -8.083 1.00 0.00 O ATOM 0 H ASP A 25 9.728 -1.506 -7.619 1.00 0.00 H new ATOM 0 HA ASP A 25 8.074 -3.352 -8.936 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.942 -3.692 -6.507 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.378 -5.010 -7.514 1.00 0.00 H new ATOM 392 N ILE A 26 7.339 -2.947 -5.755 1.00 0.00 N ATOM 393 CA ILE A 26 6.328 -3.226 -4.717 1.00 0.00 C ATOM 394 C ILE A 26 4.948 -2.667 -5.093 1.00 0.00 C ATOM 395 O ILE A 26 3.910 -3.303 -4.917 1.00 0.00 O ATOM 396 CB ILE A 26 6.784 -2.649 -3.357 1.00 0.00 C ATOM 397 CG1 ILE A 26 8.210 -3.106 -2.963 1.00 0.00 C ATOM 398 CG2 ILE A 26 5.761 -2.992 -2.247 1.00 0.00 C ATOM 399 CD1 ILE A 26 8.358 -4.635 -2.807 1.00 0.00 C ATOM 0 H ILE A 26 8.104 -2.347 -5.447 1.00 0.00 H new ATOM 0 HA ILE A 26 6.233 -4.309 -4.637 1.00 0.00 H new ATOM 0 HB ILE A 26 6.826 -1.566 -3.469 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.914 -2.758 -3.719 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.488 -2.627 -2.024 1.00 0.00 H new ATOM 0 HG21 ILE A 26 6.101 -2.577 -1.298 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.791 -2.567 -2.503 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.670 -4.075 -2.158 1.00 0.00 H new ATOM 0 HD11 ILE A 26 9.385 -4.875 -2.530 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.681 -4.989 -2.030 1.00 0.00 H new ATOM 0 HD13 ILE A 26 8.113 -5.122 -3.751 1.00 0.00 H new ATOM 411 N ALA A 27 4.943 -1.429 -5.599 1.00 0.00 N ATOM 412 CA ALA A 27 3.698 -0.798 -6.083 1.00 0.00 C ATOM 413 C ALA A 27 2.985 -1.683 -7.116 1.00 0.00 C ATOM 414 O ALA A 27 1.774 -1.903 -7.087 1.00 0.00 O ATOM 415 CB ALA A 27 4.022 0.574 -6.708 1.00 0.00 C ATOM 0 H ALA A 27 5.775 -0.845 -5.686 1.00 0.00 H new ATOM 0 HA ALA A 27 3.030 -0.669 -5.231 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.102 1.038 -7.064 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.485 1.215 -5.958 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.708 0.440 -7.544 1.00 0.00 H new ATOM 421 N THR A 28 3.789 -2.198 -8.052 1.00 0.00 N ATOM 422 CA THR A 28 3.299 -3.119 -9.095 1.00 0.00 C ATOM 423 C THR A 28 2.695 -4.402 -8.495 1.00 0.00 C ATOM 424 O THR A 28 1.652 -4.903 -8.917 1.00 0.00 O ATOM 425 CB THR A 28 4.464 -3.480 -10.052 1.00 0.00 C ATOM 426 OG1 THR A 28 5.008 -2.278 -10.607 1.00 0.00 O ATOM 427 CG2 THR A 28 4.028 -4.401 -11.211 1.00 0.00 C ATOM 0 H THR A 28 4.787 -1.994 -8.113 1.00 0.00 H new ATOM 0 HA THR A 28 2.506 -2.612 -9.645 1.00 0.00 H new ATOM 0 HB THR A 28 5.205 -4.019 -9.461 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.566 -1.832 -9.937 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.887 -4.618 -11.846 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.631 -5.332 -10.806 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.257 -3.904 -11.800 1.00 0.00 H new ATOM 435 N TYR A 29 3.390 -4.944 -7.488 1.00 0.00 N ATOM 436 CA TYR A 29 2.946 -6.174 -6.806 1.00 0.00 C ATOM 437 C TYR A 29 1.542 -6.025 -6.203 1.00 0.00 C ATOM 438 O TYR A 29 0.616 -6.775 -6.492 1.00 0.00 O ATOM 439 CB TYR A 29 3.947 -6.558 -5.689 1.00 0.00 C ATOM 440 CG TYR A 29 3.449 -7.701 -4.829 1.00 0.00 C ATOM 441 CD1 TYR A 29 3.252 -8.968 -5.385 1.00 0.00 C ATOM 442 CD2 TYR A 29 3.135 -7.476 -3.486 1.00 0.00 C ATOM 443 CE1 TYR A 29 2.730 -10.002 -4.604 1.00 0.00 C ATOM 444 CE2 TYR A 29 2.612 -8.508 -2.704 1.00 0.00 C ATOM 445 CZ TYR A 29 2.403 -9.771 -3.266 1.00 0.00 C ATOM 446 OH TYR A 29 1.864 -10.784 -2.502 1.00 0.00 O ATOM 0 H TYR A 29 4.260 -4.555 -7.125 1.00 0.00 H new ATOM 0 HA TYR A 29 2.908 -6.962 -7.558 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.900 -6.836 -6.140 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.134 -5.688 -5.059 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.504 -9.148 -6.420 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.297 -6.501 -3.051 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.579 -10.981 -5.035 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.369 -8.331 -1.667 1.00 0.00 H new ATOM 0 HH TYR A 29 1.052 -10.462 -2.058 1.00 0.00 H new ATOM 456 N ILE A 30 1.405 -5.019 -5.336 1.00 0.00 N ATOM 457 CA ILE A 30 0.127 -4.714 -4.661 1.00 0.00 C ATOM 458 C ILE A 30 -1.019 -4.546 -5.670 1.00 0.00 C ATOM 459 O ILE A 30 -2.135 -5.041 -5.511 1.00 0.00 O ATOM 460 CB ILE A 30 0.307 -3.422 -3.821 1.00 0.00 C ATOM 461 CG1 ILE A 30 1.391 -3.619 -2.733 1.00 0.00 C ATOM 462 CG2 ILE A 30 -1.026 -2.947 -3.197 1.00 0.00 C ATOM 463 CD1 ILE A 30 1.804 -2.301 -2.046 1.00 0.00 C ATOM 0 H ILE A 30 2.168 -4.392 -5.079 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.140 -5.548 -4.012 1.00 0.00 H new ATOM 0 HB ILE A 30 0.641 -2.637 -4.500 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.019 -4.314 -1.980 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.271 -4.078 -3.184 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.854 -2.040 -2.618 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.745 -2.740 -3.989 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.420 -3.726 -2.544 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.566 -2.506 -1.294 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.204 -1.613 -2.790 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.934 -1.852 -1.568 1.00 0.00 H new ATOM 475 N LYS A 31 -0.702 -3.812 -6.743 1.00 0.00 N ATOM 476 CA LYS A 31 -1.651 -3.572 -7.846 1.00 0.00 C ATOM 477 C LYS A 31 -2.173 -4.894 -8.437 1.00 0.00 C ATOM 478 O LYS A 31 -3.347 -5.069 -8.760 1.00 0.00 O ATOM 479 CB LYS A 31 -0.926 -2.761 -8.949 1.00 0.00 C ATOM 480 CG LYS A 31 -1.883 -2.098 -9.964 1.00 0.00 C ATOM 481 CD LYS A 31 -2.737 -0.960 -9.353 1.00 0.00 C ATOM 482 CE LYS A 31 -1.884 0.215 -8.823 1.00 0.00 C ATOM 483 NZ LYS A 31 -2.759 1.255 -8.262 1.00 0.00 N ATOM 0 H LYS A 31 0.208 -3.370 -6.875 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.508 -3.020 -7.460 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.318 -1.988 -8.479 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.244 -3.422 -9.484 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.300 -1.699 -10.794 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.546 -2.858 -10.377 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.430 -0.588 -10.107 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.339 -1.362 -8.538 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.192 -0.141 -8.060 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.281 0.631 -9.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.255 2.165 -8.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.616 1.340 -8.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.026 0.997 -7.290 1.00 0.00 H new ATOM 497 N ARG A 32 -1.240 -5.840 -8.586 1.00 0.00 N ATOM 498 CA ARG A 32 -1.551 -7.191 -9.094 1.00 0.00 C ATOM 499 C ARG A 32 -2.441 -7.997 -8.134 1.00 0.00 C ATOM 500 O ARG A 32 -3.369 -8.699 -8.527 1.00 0.00 O ATOM 501 CB ARG A 32 -0.228 -7.950 -9.351 1.00 0.00 C ATOM 502 CG ARG A 32 -0.443 -9.348 -9.964 1.00 0.00 C ATOM 503 CD ARG A 32 0.880 -10.102 -10.186 1.00 0.00 C ATOM 504 NE ARG A 32 0.599 -11.410 -10.802 1.00 0.00 N ATOM 505 CZ ARG A 32 1.556 -12.322 -10.988 1.00 0.00 C ATOM 506 NH1 ARG A 32 2.817 -12.089 -10.628 1.00 0.00 N ATOM 507 NH2 ARG A 32 1.243 -13.488 -11.544 1.00 0.00 N ATOM 0 H ARG A 32 -0.255 -5.699 -8.362 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.113 -7.076 -10.021 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.399 -7.359 -10.019 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.314 -8.051 -8.411 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.086 -9.934 -9.308 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.965 -9.248 -10.916 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.540 -9.519 -10.828 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.398 -10.238 -9.237 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.354 -11.625 -11.095 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.069 -11.198 -10.200 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.531 -12.802 -10.780 1.00 0.00 H new ATOM 0 HH21 ARG A 32 0.281 -13.678 -11.823 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.965 -14.193 -11.691 1.00 0.00 H new ATOM 521 N GLU A 33 -2.129 -7.905 -6.836 1.00 0.00 N ATOM 522 CA GLU A 33 -2.859 -8.677 -5.810 1.00 0.00 C ATOM 523 C GLU A 33 -4.353 -8.333 -5.777 1.00 0.00 C ATOM 524 O GLU A 33 -5.236 -9.177 -5.928 1.00 0.00 O ATOM 525 CB GLU A 33 -2.238 -8.435 -4.414 1.00 0.00 C ATOM 526 CG GLU A 33 -0.762 -8.879 -4.309 1.00 0.00 C ATOM 527 CD GLU A 33 -0.627 -10.372 -4.636 1.00 0.00 C ATOM 528 OE1 GLU A 33 -1.036 -11.195 -3.818 1.00 0.00 O ATOM 529 OE2 GLU A 33 -0.125 -10.693 -5.711 1.00 0.00 O ATOM 0 H GLU A 33 -1.385 -7.312 -6.469 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.767 -9.730 -6.077 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.308 -7.374 -4.173 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.824 -8.970 -3.667 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.150 -8.293 -4.995 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.388 -8.685 -3.304 1.00 0.00 H new ATOM 536 N CYS A 34 -4.628 -7.042 -5.571 1.00 0.00 N ATOM 537 CA CYS A 34 -6.011 -6.532 -5.583 1.00 0.00 C ATOM 538 C CYS A 34 -6.669 -6.692 -6.964 1.00 0.00 C ATOM 539 O CYS A 34 -7.742 -7.272 -7.130 1.00 0.00 O ATOM 540 CB CYS A 34 -6.028 -5.040 -5.182 1.00 0.00 C ATOM 541 SG CYS A 34 -7.684 -4.338 -5.394 1.00 0.00 S ATOM 0 H CYS A 34 -3.919 -6.331 -5.394 1.00 0.00 H new ATOM 0 HA CYS A 34 -6.581 -7.120 -4.864 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.713 -4.934 -4.144 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -5.313 -4.487 -5.790 1.00 0.00 H new ATOM 546 N GLY A 35 -5.982 -6.152 -7.975 1.00 0.00 N ATOM 547 CA GLY A 35 -6.504 -6.117 -9.356 1.00 0.00 C ATOM 548 C GLY A 35 -6.762 -7.514 -9.926 1.00 0.00 C ATOM 549 O GLY A 35 -7.888 -7.925 -10.207 1.00 0.00 O ATOM 0 H GLY A 35 -5.059 -5.730 -7.868 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.431 -5.544 -9.375 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.793 -5.594 -9.996 1.00 0.00 H new ATOM 553 N LYS A 36 -5.661 -8.250 -10.110 1.00 0.00 N ATOM 554 CA LYS A 36 -5.731 -9.659 -10.541 1.00 0.00 C ATOM 555 C LYS A 36 -5.954 -10.576 -9.322 1.00 0.00 C ATOM 556 O LYS A 36 -5.119 -11.379 -8.903 1.00 0.00 O ATOM 557 CB LYS A 36 -4.421 -10.043 -11.270 1.00 0.00 C ATOM 558 CG LYS A 36 -4.529 -11.400 -12.008 1.00 0.00 C ATOM 559 CD LYS A 36 -3.165 -12.001 -12.414 1.00 0.00 C ATOM 560 CE LYS A 36 -2.495 -12.828 -11.291 1.00 0.00 C ATOM 561 NZ LYS A 36 -2.276 -12.008 -10.091 1.00 0.00 N ATOM 0 H LYS A 36 -4.713 -7.900 -9.969 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.570 -9.785 -11.226 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.166 -9.263 -11.987 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.607 -10.090 -10.547 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.052 -12.110 -11.368 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.138 -11.269 -12.902 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.303 -12.636 -13.289 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.495 -11.194 -12.709 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.122 -13.684 -11.041 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.543 -13.223 -11.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.457 -12.375 -9.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.094 -11.023 -10.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.121 -12.045 -9.486 1.00 0.00 H new ATOM 666 N VAL B 5 -5.150 -6.992 11.189 1.00 0.00 N ATOM 667 CA VAL B 5 -5.171 -6.650 9.750 1.00 0.00 C ATOM 668 C VAL B 5 -4.081 -5.636 9.375 1.00 0.00 C ATOM 669 O VAL B 5 -3.384 -5.755 8.370 1.00 0.00 O ATOM 670 CB VAL B 5 -6.568 -6.100 9.362 1.00 0.00 C ATOM 671 CG1 VAL B 5 -6.649 -5.702 7.870 1.00 0.00 C ATOM 672 CG2 VAL B 5 -7.689 -7.110 9.698 1.00 0.00 C ATOM 0 HA VAL B 5 -4.965 -7.564 9.193 1.00 0.00 H new ATOM 0 HB VAL B 5 -6.716 -5.200 9.958 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -7.647 -5.323 7.648 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -5.911 -4.927 7.659 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -6.446 -6.575 7.249 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -8.654 -6.691 9.413 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -7.520 -8.037 9.150 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -7.685 -7.315 10.769 1.00 0.00 H new ATOM 682 N LYS B 6 -3.949 -4.609 10.220 1.00 0.00 N ATOM 683 CA LYS B 6 -2.930 -3.558 10.027 1.00 0.00 C ATOM 684 C LYS B 6 -1.521 -4.144 9.898 1.00 0.00 C ATOM 685 O LYS B 6 -0.769 -3.857 8.969 1.00 0.00 O ATOM 686 CB LYS B 6 -2.994 -2.577 11.218 1.00 0.00 C ATOM 687 CG LYS B 6 -1.989 -1.411 11.131 1.00 0.00 C ATOM 688 CD LYS B 6 -1.938 -0.520 12.396 1.00 0.00 C ATOM 689 CE LYS B 6 -3.255 0.216 12.737 1.00 0.00 C ATOM 690 NZ LYS B 6 -4.262 -0.721 13.259 1.00 0.00 N ATOM 0 H LYS B 6 -4.533 -4.478 11.046 1.00 0.00 H new ATOM 0 HA LYS B 6 -3.145 -3.035 9.095 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -4.002 -2.169 11.284 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -2.813 -3.130 12.140 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -0.994 -1.817 10.946 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -2.244 -0.789 10.273 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -1.657 -1.141 13.247 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -1.149 0.221 12.267 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -3.060 0.994 13.475 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -3.641 0.711 11.846 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -4.969 -0.917 12.522 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -3.798 -1.609 13.539 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -4.732 -0.300 14.086 1.00 0.00 H new ATOM 704 N LEU B 7 -1.173 -5.003 10.859 1.00 0.00 N ATOM 705 CA LEU B 7 0.136 -5.689 10.858 1.00 0.00 C ATOM 706 C LEU B 7 0.431 -6.406 9.530 1.00 0.00 C ATOM 707 O LEU B 7 1.564 -6.501 9.064 1.00 0.00 O ATOM 708 CB LEU B 7 0.187 -6.714 12.013 1.00 0.00 C ATOM 709 CG LEU B 7 0.030 -6.079 13.415 1.00 0.00 C ATOM 710 CD1 LEU B 7 -0.081 -7.166 14.505 1.00 0.00 C ATOM 711 CD2 LEU B 7 1.177 -5.095 13.737 1.00 0.00 C ATOM 0 H LEU B 7 -1.772 -5.244 11.648 1.00 0.00 H new ATOM 0 HA LEU B 7 0.898 -4.921 10.991 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -0.602 -7.452 11.867 1.00 0.00 H new ATOM 0 HB3 LEU B 7 1.136 -7.249 11.970 1.00 0.00 H new ATOM 0 HG LEU B 7 -0.897 -5.505 13.405 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -0.190 -6.693 15.481 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -0.950 -7.793 14.306 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.819 -7.781 14.499 1.00 0.00 H new ATOM 0 HD21 LEU B 7 1.026 -4.673 14.731 1.00 0.00 H new ATOM 0 HD22 LEU B 7 2.129 -5.624 13.708 1.00 0.00 H new ATOM 0 HD23 LEU B 7 1.186 -4.292 12.999 1.00 0.00 H new ATOM 723 N THR B 8 -0.634 -6.943 8.925 1.00 0.00 N ATOM 724 CA THR B 8 -0.522 -7.665 7.645 1.00 0.00 C ATOM 725 C THR B 8 -0.189 -6.728 6.470 1.00 0.00 C ATOM 726 O THR B 8 0.815 -6.867 5.770 1.00 0.00 O ATOM 727 CB THR B 8 -1.849 -8.417 7.360 1.00 0.00 C ATOM 728 OG1 THR B 8 -2.192 -9.225 8.491 1.00 0.00 O ATOM 729 CG2 THR B 8 -1.757 -9.326 6.118 1.00 0.00 C ATOM 0 H THR B 8 -1.583 -6.894 9.297 1.00 0.00 H new ATOM 0 HA THR B 8 0.302 -8.373 7.736 1.00 0.00 H new ATOM 0 HB THR B 8 -2.611 -7.661 7.170 1.00 0.00 H new ATOM 0 HG1 THR B 8 -3.031 -9.699 8.312 1.00 0.00 H new ATOM 0 HG21 THR B 8 -2.712 -9.829 5.963 1.00 0.00 H new ATOM 0 HG22 THR B 8 -1.519 -8.722 5.242 1.00 0.00 H new ATOM 0 HG23 THR B 8 -0.975 -10.071 6.269 1.00 0.00 H new ATOM 737 N ILE B 9 -1.066 -5.739 6.259 1.00 0.00 N ATOM 738 CA ILE B 9 -0.990 -4.868 5.068 1.00 0.00 C ATOM 739 C ILE B 9 0.114 -3.798 5.148 1.00 0.00 C ATOM 740 O ILE B 9 0.917 -3.614 4.236 1.00 0.00 O ATOM 741 CB ILE B 9 -2.378 -4.234 4.774 1.00 0.00 C ATOM 742 CG1 ILE B 9 -2.376 -3.392 3.473 1.00 0.00 C ATOM 743 CG2 ILE B 9 -2.930 -3.393 5.949 1.00 0.00 C ATOM 744 CD1 ILE B 9 -1.992 -4.192 2.212 1.00 0.00 C ATOM 0 H ILE B 9 -1.835 -5.518 6.891 1.00 0.00 H new ATOM 0 HA ILE B 9 -0.706 -5.509 4.233 1.00 0.00 H new ATOM 0 HB ILE B 9 -3.049 -5.082 4.638 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -3.366 -2.960 3.330 1.00 0.00 H new ATOM 0 HG13 ILE B 9 -1.680 -2.561 3.590 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -3.901 -2.980 5.676 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -3.039 -4.026 6.830 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -2.239 -2.580 6.170 1.00 0.00 H new ATOM 0 HD11 ILE B 9 -2.013 -3.534 1.343 1.00 0.00 H new ATOM 0 HD12 ILE B 9 -0.989 -4.602 2.332 1.00 0.00 H new ATOM 0 HD13 ILE B 9 -2.702 -5.007 2.068 1.00 0.00 H new ATOM 756 N CYS B 10 0.137 -3.081 6.278 1.00 0.00 N ATOM 757 CA CYS B 10 1.077 -1.964 6.514 1.00 0.00 C ATOM 758 C CYS B 10 2.523 -2.194 6.048 1.00 0.00 C ATOM 759 O CYS B 10 3.050 -1.361 5.314 1.00 0.00 O ATOM 760 CB CYS B 10 1.072 -1.568 8.004 1.00 0.00 C ATOM 761 SG CYS B 10 -0.380 -0.575 8.429 1.00 0.00 S ATOM 0 H CYS B 10 -0.495 -3.255 7.060 1.00 0.00 H new ATOM 0 HA CYS B 10 0.700 -1.156 5.886 1.00 0.00 H new ATOM 0 HB2 CYS B 10 1.090 -2.467 8.619 1.00 0.00 H new ATOM 0 HB3 CYS B 10 1.977 -1.006 8.234 1.00 0.00 H new ATOM 766 N PRO B 11 3.215 -3.281 6.426 1.00 0.00 N ATOM 767 CA PRO B 11 4.614 -3.525 6.016 1.00 0.00 C ATOM 768 C PRO B 11 4.801 -3.533 4.491 1.00 0.00 C ATOM 769 O PRO B 11 5.767 -3.011 3.935 1.00 0.00 O ATOM 770 CB PRO B 11 4.964 -4.887 6.637 1.00 0.00 C ATOM 771 CG PRO B 11 3.611 -5.553 6.829 1.00 0.00 C ATOM 772 CD PRO B 11 2.714 -4.385 7.260 1.00 0.00 C ATOM 0 HA PRO B 11 5.271 -2.726 6.359 1.00 0.00 H new ATOM 0 HB2 PRO B 11 5.609 -5.472 5.982 1.00 0.00 H new ATOM 0 HB3 PRO B 11 5.492 -4.772 7.584 1.00 0.00 H new ATOM 0 HG2 PRO B 11 3.255 -6.018 5.910 1.00 0.00 H new ATOM 0 HG3 PRO B 11 3.649 -6.335 7.588 1.00 0.00 H new ATOM 0 HD2 PRO B 11 1.660 -4.591 7.072 1.00 0.00 H new ATOM 0 HD3 PRO B 11 2.812 -4.168 8.324 1.00 0.00 H new ATOM 780 N THR B 12 3.840 -4.163 3.809 1.00 0.00 N ATOM 781 CA THR B 12 3.806 -4.165 2.333 1.00 0.00 C ATOM 782 C THR B 12 3.725 -2.730 1.780 1.00 0.00 C ATOM 783 O THR B 12 4.413 -2.332 0.841 1.00 0.00 O ATOM 784 CB THR B 12 2.594 -4.992 1.841 1.00 0.00 C ATOM 785 OG1 THR B 12 2.636 -6.294 2.433 1.00 0.00 O ATOM 786 CG2 THR B 12 2.573 -5.153 0.307 1.00 0.00 C ATOM 0 H THR B 12 3.076 -4.677 4.247 1.00 0.00 H new ATOM 0 HA THR B 12 4.728 -4.617 1.967 1.00 0.00 H new ATOM 0 HB THR B 12 1.695 -4.452 2.137 1.00 0.00 H new ATOM 0 HG1 THR B 12 2.222 -6.943 1.826 1.00 0.00 H new ATOM 0 HG21 THR B 12 1.703 -5.741 0.015 1.00 0.00 H new ATOM 0 HG22 THR B 12 2.521 -4.170 -0.161 1.00 0.00 H new ATOM 0 HG23 THR B 12 3.480 -5.662 -0.018 1.00 0.00 H new ATOM 794 N LEU B 13 2.839 -1.944 2.400 1.00 0.00 N ATOM 795 CA LEU B 13 2.638 -0.528 2.027 1.00 0.00 C ATOM 796 C LEU B 13 3.884 0.341 2.267 1.00 0.00 C ATOM 797 O LEU B 13 4.127 1.335 1.589 1.00 0.00 O ATOM 798 CB LEU B 13 1.448 0.070 2.811 1.00 0.00 C ATOM 799 CG LEU B 13 0.103 -0.655 2.581 1.00 0.00 C ATOM 800 CD1 LEU B 13 -1.008 -0.008 3.433 1.00 0.00 C ATOM 801 CD2 LEU B 13 -0.298 -0.690 1.090 1.00 0.00 C ATOM 0 H LEU B 13 2.244 -2.260 3.166 1.00 0.00 H new ATOM 0 HA LEU B 13 2.432 -0.521 0.957 1.00 0.00 H new ATOM 0 HB2 LEU B 13 1.682 0.047 3.875 1.00 0.00 H new ATOM 0 HB3 LEU B 13 1.335 1.118 2.532 1.00 0.00 H new ATOM 0 HG LEU B 13 0.234 -1.690 2.897 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -1.949 -0.530 3.260 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -0.744 -0.076 4.488 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -1.117 1.040 3.154 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -1.250 -1.210 0.981 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -0.396 0.329 0.716 1.00 0.00 H new ATOM 0 HD23 LEU B 13 0.469 -1.214 0.519 1.00 0.00 H new ATOM 813 N LYS B 14 4.660 -0.024 3.294 1.00 0.00 N ATOM 814 CA LYS B 14 5.935 0.657 3.589 1.00 0.00 C ATOM 815 C LYS B 14 6.967 0.421 2.475 1.00 0.00 C ATOM 816 O LYS B 14 7.672 1.314 2.008 1.00 0.00 O ATOM 817 CB LYS B 14 6.521 0.165 4.934 1.00 0.00 C ATOM 818 CG LYS B 14 5.675 0.532 6.174 1.00 0.00 C ATOM 819 CD LYS B 14 5.502 2.056 6.355 1.00 0.00 C ATOM 820 CE LYS B 14 4.749 2.431 7.645 1.00 0.00 C ATOM 821 NZ LYS B 14 5.532 2.021 8.818 1.00 0.00 N ATOM 0 H LYS B 14 4.432 -0.784 3.935 1.00 0.00 H new ATOM 0 HA LYS B 14 5.722 1.724 3.653 1.00 0.00 H new ATOM 0 HB2 LYS B 14 6.631 -0.919 4.893 1.00 0.00 H new ATOM 0 HB3 LYS B 14 7.520 0.583 5.055 1.00 0.00 H new ATOM 0 HG2 LYS B 14 4.693 0.068 6.087 1.00 0.00 H new ATOM 0 HG3 LYS B 14 6.146 0.117 7.065 1.00 0.00 H new ATOM 0 HD2 LYS B 14 6.484 2.528 6.365 1.00 0.00 H new ATOM 0 HD3 LYS B 14 4.963 2.459 5.497 1.00 0.00 H new ATOM 0 HE2 LYS B 14 4.571 3.506 7.673 1.00 0.00 H new ATOM 0 HE3 LYS B 14 3.773 1.946 7.661 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 5.158 2.491 9.667 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 5.467 0.990 8.936 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 6.527 2.292 8.683 1.00 0.00 H new ATOM 835 N SER B 15 7.054 -0.847 2.067 1.00 0.00 N ATOM 836 CA SER B 15 7.921 -1.257 0.945 1.00 0.00 C ATOM 837 C SER B 15 7.561 -0.513 -0.352 1.00 0.00 C ATOM 838 O SER B 15 8.400 -0.135 -1.170 1.00 0.00 O ATOM 839 CB SER B 15 7.800 -2.783 0.745 1.00 0.00 C ATOM 840 OG SER B 15 8.211 -3.457 1.939 1.00 0.00 O ATOM 0 H SER B 15 6.535 -1.614 2.494 1.00 0.00 H new ATOM 0 HA SER B 15 8.951 -0.997 1.189 1.00 0.00 H new ATOM 0 HB2 SER B 15 6.771 -3.048 0.502 1.00 0.00 H new ATOM 0 HB3 SER B 15 8.418 -3.100 -0.095 1.00 0.00 H new ATOM 0 HG SER B 15 7.512 -3.371 2.620 1.00 0.00 H new ATOM 846 N MET B 16 6.250 -0.323 -0.540 1.00 0.00 N ATOM 847 CA MET B 16 5.720 0.477 -1.657 1.00 0.00 C ATOM 848 C MET B 16 6.131 1.954 -1.531 1.00 0.00 C ATOM 849 O MET B 16 6.582 2.607 -2.470 1.00 0.00 O ATOM 850 CB MET B 16 4.179 0.344 -1.671 1.00 0.00 C ATOM 851 CG MET B 16 3.512 1.106 -2.835 1.00 0.00 C ATOM 852 SD MET B 16 1.713 0.898 -2.899 1.00 0.00 S ATOM 853 CE MET B 16 1.223 1.723 -1.363 1.00 0.00 C ATOM 0 H MET B 16 5.531 -0.714 0.069 1.00 0.00 H new ATOM 0 HA MET B 16 6.136 0.104 -2.593 1.00 0.00 H new ATOM 0 HB2 MET B 16 3.913 -0.711 -1.736 1.00 0.00 H new ATOM 0 HB3 MET B 16 3.780 0.715 -0.727 1.00 0.00 H new ATOM 0 HG2 MET B 16 3.744 2.167 -2.744 1.00 0.00 H new ATOM 0 HG3 MET B 16 3.943 0.765 -3.776 1.00 0.00 H new ATOM 0 HE1 MET B 16 0.141 1.854 -1.349 1.00 0.00 H new ATOM 0 HE2 MET B 16 1.526 1.115 -0.511 1.00 0.00 H new ATOM 0 HE3 MET B 16 1.707 2.698 -1.303 1.00 0.00 H new ATOM 863 N ALA B 17 5.975 2.458 -0.303 1.00 0.00 N ATOM 864 CA ALA B 17 6.254 3.868 0.042 1.00 0.00 C ATOM 865 C ALA B 17 7.672 4.321 -0.341 1.00 0.00 C ATOM 866 O ALA B 17 7.937 5.489 -0.624 1.00 0.00 O ATOM 867 CB ALA B 17 6.040 4.067 1.556 1.00 0.00 C ATOM 0 H ALA B 17 5.650 1.902 0.488 1.00 0.00 H new ATOM 0 HA ALA B 17 5.564 4.482 -0.537 1.00 0.00 H new ATOM 0 HB1 ALA B 17 6.244 5.105 1.819 1.00 0.00 H new ATOM 0 HB2 ALA B 17 5.009 3.823 1.813 1.00 0.00 H new ATOM 0 HB3 ALA B 17 6.716 3.414 2.108 1.00 0.00 H new ATOM 873 N LYS B 18 8.595 3.351 -0.330 1.00 0.00 N ATOM 874 CA LYS B 18 10.005 3.575 -0.708 1.00 0.00 C ATOM 875 C LYS B 18 10.165 4.415 -1.983 1.00 0.00 C ATOM 876 O LYS B 18 10.978 5.335 -2.072 1.00 0.00 O ATOM 877 CB LYS B 18 10.696 2.211 -0.930 1.00 0.00 C ATOM 878 CG LYS B 18 10.742 1.315 0.330 1.00 0.00 C ATOM 879 CD LYS B 18 11.554 1.914 1.498 1.00 0.00 C ATOM 880 CE LYS B 18 13.040 2.139 1.146 1.00 0.00 C ATOM 881 NZ LYS B 18 13.746 2.680 2.314 1.00 0.00 N ATOM 0 H LYS B 18 8.391 2.389 -0.060 1.00 0.00 H new ATOM 0 HA LYS B 18 10.464 4.130 0.110 1.00 0.00 H new ATOM 0 HB2 LYS B 18 10.175 1.677 -1.724 1.00 0.00 H new ATOM 0 HB3 LYS B 18 11.715 2.384 -1.277 1.00 0.00 H new ATOM 0 HG2 LYS B 18 9.723 1.129 0.668 1.00 0.00 H new ATOM 0 HG3 LYS B 18 11.170 0.349 0.061 1.00 0.00 H new ATOM 0 HD2 LYS B 18 11.108 2.864 1.794 1.00 0.00 H new ATOM 0 HD3 LYS B 18 11.487 1.249 2.359 1.00 0.00 H new ATOM 0 HE2 LYS B 18 13.497 1.199 0.835 1.00 0.00 H new ATOM 0 HE3 LYS B 18 13.125 2.828 0.306 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 14.747 2.831 2.075 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 13.316 3.585 2.591 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 13.676 2.007 3.104 1.00 0.00 H new ATOM 895 N LYS B 19 9.355 4.076 -2.993 1.00 0.00 N ATOM 896 CA LYS B 19 9.401 4.777 -4.288 1.00 0.00 C ATOM 897 C LYS B 19 7.987 5.156 -4.765 1.00 0.00 C ATOM 898 O LYS B 19 7.507 4.785 -5.836 1.00 0.00 O ATOM 899 CB LYS B 19 10.107 3.855 -5.314 1.00 0.00 C ATOM 900 CG LYS B 19 10.393 4.532 -6.672 1.00 0.00 C ATOM 901 CD LYS B 19 11.045 3.568 -7.683 1.00 0.00 C ATOM 902 CE LYS B 19 11.272 4.213 -9.067 1.00 0.00 C ATOM 903 NZ LYS B 19 12.182 5.362 -8.944 1.00 0.00 N ATOM 0 H LYS B 19 8.664 3.327 -2.943 1.00 0.00 H new ATOM 0 HA LYS B 19 9.959 5.708 -4.183 1.00 0.00 H new ATOM 0 HB2 LYS B 19 11.048 3.507 -4.888 1.00 0.00 H new ATOM 0 HB3 LYS B 19 9.488 2.974 -5.482 1.00 0.00 H new ATOM 0 HG2 LYS B 19 9.461 4.914 -7.088 1.00 0.00 H new ATOM 0 HG3 LYS B 19 11.048 5.389 -6.517 1.00 0.00 H new ATOM 0 HD2 LYS B 19 12.001 3.225 -7.286 1.00 0.00 H new ATOM 0 HD3 LYS B 19 10.413 2.687 -7.797 1.00 0.00 H new ATOM 0 HE2 LYS B 19 11.691 3.479 -9.755 1.00 0.00 H new ATOM 0 HE3 LYS B 19 10.320 4.536 -9.487 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 12.450 5.696 -9.892 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 11.705 6.129 -8.429 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 13.036 5.075 -8.424 1.00 0.00 H new ATOM 917 N CYS B 20 7.292 5.917 -3.911 1.00 0.00 N ATOM 918 CA CYS B 20 5.985 6.482 -4.299 1.00 0.00 C ATOM 919 C CYS B 20 6.083 7.933 -4.790 1.00 0.00 C ATOM 920 O CYS B 20 7.059 8.660 -4.607 1.00 0.00 O ATOM 921 CB CYS B 20 4.969 6.394 -3.143 1.00 0.00 C ATOM 922 SG CYS B 20 4.479 4.697 -2.758 1.00 0.00 S ATOM 0 H CYS B 20 7.599 6.154 -2.968 1.00 0.00 H new ATOM 0 HA CYS B 20 5.635 5.874 -5.133 1.00 0.00 H new ATOM 0 HB2 CYS B 20 5.400 6.852 -2.253 1.00 0.00 H new ATOM 0 HB3 CYS B 20 4.082 6.972 -3.402 1.00 0.00 H new ATOM 927 N GLU B 21 4.990 8.344 -5.436 1.00 0.00 N ATOM 928 CA GLU B 21 4.857 9.703 -5.991 1.00 0.00 C ATOM 929 C GLU B 21 4.373 10.699 -4.927 1.00 0.00 C ATOM 930 O GLU B 21 3.774 10.355 -3.908 1.00 0.00 O ATOM 931 CB GLU B 21 3.828 9.653 -7.145 1.00 0.00 C ATOM 932 CG GLU B 21 4.224 8.651 -8.255 1.00 0.00 C ATOM 933 CD GLU B 21 3.090 8.503 -9.280 1.00 0.00 C ATOM 934 OE1 GLU B 21 2.725 9.494 -9.913 1.00 0.00 O ATOM 935 OE2 GLU B 21 2.586 7.393 -9.439 1.00 0.00 O ATOM 0 H GLU B 21 4.174 7.752 -5.591 1.00 0.00 H new ATOM 0 HA GLU B 21 5.832 10.038 -6.345 1.00 0.00 H new ATOM 0 HB2 GLU B 21 2.852 9.378 -6.745 1.00 0.00 H new ATOM 0 HB3 GLU B 21 3.726 10.648 -7.579 1.00 0.00 H new ATOM 0 HG2 GLU B 21 5.130 8.993 -8.754 1.00 0.00 H new ATOM 0 HG3 GLU B 21 4.450 7.681 -7.813 1.00 0.00 H new ATOM 942 N GLY B 22 4.637 11.978 -5.213 1.00 0.00 N ATOM 943 CA GLY B 22 4.238 13.101 -4.339 1.00 0.00 C ATOM 944 C GLY B 22 4.818 12.989 -2.921 1.00 0.00 C ATOM 945 O GLY B 22 5.949 13.375 -2.622 1.00 0.00 O ATOM 0 H GLY B 22 5.133 12.270 -6.055 1.00 0.00 H new ATOM 0 HA2 GLY B 22 4.566 14.039 -4.788 1.00 0.00 H new ATOM 0 HA3 GLY B 22 3.150 13.140 -4.279 1.00 0.00 H new ATOM 949 N SER B 23 3.994 12.421 -2.037 1.00 0.00 N ATOM 950 CA SER B 23 4.387 12.151 -0.639 1.00 0.00 C ATOM 951 C SER B 23 3.382 11.178 0.007 1.00 0.00 C ATOM 952 O SER B 23 2.914 11.307 1.138 1.00 0.00 O ATOM 953 CB SER B 23 4.442 13.488 0.144 1.00 0.00 C ATOM 954 OG SER B 23 4.990 13.274 1.447 1.00 0.00 O ATOM 0 H SER B 23 3.041 12.135 -2.261 1.00 0.00 H new ATOM 0 HA SER B 23 5.374 11.689 -0.614 1.00 0.00 H new ATOM 0 HB2 SER B 23 5.049 14.212 -0.400 1.00 0.00 H new ATOM 0 HB3 SER B 23 3.441 13.911 0.227 1.00 0.00 H new ATOM 0 HG SER B 23 5.022 14.125 1.932 1.00 0.00 H new ATOM 960 N ILE B 24 3.066 10.143 -0.775 1.00 0.00 N ATOM 961 CA ILE B 24 2.133 9.079 -0.354 1.00 0.00 C ATOM 962 C ILE B 24 2.651 8.295 0.859 1.00 0.00 C ATOM 963 O ILE B 24 1.908 7.888 1.752 1.00 0.00 O ATOM 964 CB ILE B 24 1.860 8.152 -1.567 1.00 0.00 C ATOM 965 CG1 ILE B 24 0.994 8.848 -2.646 1.00 0.00 C ATOM 966 CG2 ILE B 24 1.287 6.770 -1.188 1.00 0.00 C ATOM 967 CD1 ILE B 24 -0.386 9.334 -2.152 1.00 0.00 C ATOM 0 H ILE B 24 3.444 10.013 -1.714 1.00 0.00 H new ATOM 0 HA ILE B 24 1.199 9.536 -0.028 1.00 0.00 H new ATOM 0 HB ILE B 24 2.842 7.955 -1.998 1.00 0.00 H new ATOM 0 HG12 ILE B 24 1.545 9.702 -3.039 1.00 0.00 H new ATOM 0 HG13 ILE B 24 0.845 8.156 -3.475 1.00 0.00 H new ATOM 0 HG21 ILE B 24 1.124 6.183 -2.092 1.00 0.00 H new ATOM 0 HG22 ILE B 24 1.991 6.250 -0.539 1.00 0.00 H new ATOM 0 HG23 ILE B 24 0.340 6.900 -0.665 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -0.921 9.808 -2.975 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -0.962 8.484 -1.787 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -0.251 10.054 -1.345 1.00 0.00 H new ATOM 979 N ALA B 25 3.969 8.074 0.863 1.00 0.00 N ATOM 980 CA ALA B 25 4.665 7.389 1.971 1.00 0.00 C ATOM 981 C ALA B 25 4.240 7.903 3.356 1.00 0.00 C ATOM 982 O ALA B 25 4.001 7.156 4.304 1.00 0.00 O ATOM 983 CB ALA B 25 6.183 7.609 1.800 1.00 0.00 C ATOM 0 H ALA B 25 4.587 8.361 0.104 1.00 0.00 H new ATOM 0 HA ALA B 25 4.400 6.333 1.926 1.00 0.00 H new ATOM 0 HB1 ALA B 25 6.716 7.110 2.609 1.00 0.00 H new ATOM 0 HB2 ALA B 25 6.505 7.196 0.844 1.00 0.00 H new ATOM 0 HB3 ALA B 25 6.401 8.677 1.825 1.00 0.00 H new ATOM 989 N THR B 26 4.152 9.234 3.451 1.00 0.00 N ATOM 990 CA THR B 26 3.752 9.913 4.696 1.00 0.00 C ATOM 991 C THR B 26 2.359 9.473 5.176 1.00 0.00 C ATOM 992 O THR B 26 2.144 9.098 6.328 1.00 0.00 O ATOM 993 CB THR B 26 3.774 11.446 4.470 1.00 0.00 C ATOM 994 OG1 THR B 26 5.087 11.837 4.059 1.00 0.00 O ATOM 995 CG2 THR B 26 3.392 12.248 5.734 1.00 0.00 C ATOM 0 H THR B 26 4.353 9.869 2.678 1.00 0.00 H new ATOM 0 HA THR B 26 4.463 9.635 5.474 1.00 0.00 H new ATOM 0 HB THR B 26 3.031 11.669 3.704 1.00 0.00 H new ATOM 0 HG1 THR B 26 5.035 12.305 3.200 1.00 0.00 H new ATOM 0 HG21 THR B 26 3.426 13.315 5.512 1.00 0.00 H new ATOM 0 HG22 THR B 26 2.385 11.974 6.048 1.00 0.00 H new ATOM 0 HG23 THR B 26 4.096 12.022 6.535 1.00 0.00 H new ATOM 1003 N MET B 27 1.394 9.526 4.250 1.00 0.00 N ATOM 1004 CA MET B 27 -0.010 9.173 4.547 1.00 0.00 C ATOM 1005 C MET B 27 -0.179 7.721 5.022 1.00 0.00 C ATOM 1006 O MET B 27 -0.860 7.415 6.001 1.00 0.00 O ATOM 1007 CB MET B 27 -0.894 9.419 3.301 1.00 0.00 C ATOM 1008 CG MET B 27 -1.123 10.916 2.999 1.00 0.00 C ATOM 1009 SD MET B 27 0.404 11.823 2.646 1.00 0.00 S ATOM 1010 CE MET B 27 -0.263 13.489 2.416 1.00 0.00 C ATOM 0 H MET B 27 1.555 9.810 3.284 1.00 0.00 H new ATOM 0 HA MET B 27 -0.326 9.817 5.368 1.00 0.00 H new ATOM 0 HB2 MET B 27 -0.428 8.948 2.435 1.00 0.00 H new ATOM 0 HB3 MET B 27 -1.859 8.933 3.447 1.00 0.00 H new ATOM 0 HG2 MET B 27 -1.796 11.008 2.147 1.00 0.00 H new ATOM 0 HG3 MET B 27 -1.622 11.378 3.851 1.00 0.00 H new ATOM 0 HE1 MET B 27 0.550 14.178 2.190 1.00 0.00 H new ATOM 0 HE2 MET B 27 -0.976 13.485 1.591 1.00 0.00 H new ATOM 0 HE3 MET B 27 -0.766 13.809 3.329 1.00 0.00 H new ATOM 1020 N ILE B 28 0.457 6.810 4.279 1.00 0.00 N ATOM 1021 CA ILE B 28 0.459 5.372 4.619 1.00 0.00 C ATOM 1022 C ILE B 28 0.916 5.144 6.068 1.00 0.00 C ATOM 1023 O ILE B 28 0.248 4.528 6.898 1.00 0.00 O ATOM 1024 CB ILE B 28 1.414 4.630 3.644 1.00 0.00 C ATOM 1025 CG1 ILE B 28 0.890 4.696 2.189 1.00 0.00 C ATOM 1026 CG2 ILE B 28 1.678 3.171 4.085 1.00 0.00 C ATOM 1027 CD1 ILE B 28 1.886 4.128 1.156 1.00 0.00 C ATOM 0 H ILE B 28 0.981 7.038 3.434 1.00 0.00 H new ATOM 0 HA ILE B 28 -0.556 4.985 4.524 1.00 0.00 H new ATOM 0 HB ILE B 28 2.373 5.148 3.677 1.00 0.00 H new ATOM 0 HG12 ILE B 28 -0.047 4.143 2.122 1.00 0.00 H new ATOM 0 HG13 ILE B 28 0.667 5.733 1.937 1.00 0.00 H new ATOM 0 HG21 ILE B 28 2.351 2.692 3.374 1.00 0.00 H new ATOM 0 HG22 ILE B 28 2.134 3.167 5.075 1.00 0.00 H new ATOM 0 HG23 ILE B 28 0.735 2.625 4.118 1.00 0.00 H new ATOM 0 HD11 ILE B 28 1.457 4.204 0.157 1.00 0.00 H new ATOM 0 HD12 ILE B 28 2.815 4.696 1.196 1.00 0.00 H new ATOM 0 HD13 ILE B 28 2.090 3.082 1.384 1.00 0.00 H new ATOM 1039 N LYS B 29 2.103 5.682 6.354 1.00 0.00 N ATOM 1040 CA LYS B 29 2.737 5.541 7.676 1.00 0.00 C ATOM 1041 C LYS B 29 1.914 6.180 8.804 1.00 0.00 C ATOM 1042 O LYS B 29 1.846 5.684 9.927 1.00 0.00 O ATOM 1043 CB LYS B 29 4.153 6.151 7.618 1.00 0.00 C ATOM 1044 CG LYS B 29 4.928 5.989 8.943 1.00 0.00 C ATOM 1045 CD LYS B 29 6.402 6.438 8.851 1.00 0.00 C ATOM 1046 CE LYS B 29 6.563 7.925 8.474 1.00 0.00 C ATOM 1047 NZ LYS B 29 7.992 8.268 8.434 1.00 0.00 N ATOM 0 H LYS B 29 2.652 6.224 5.686 1.00 0.00 H new ATOM 0 HA LYS B 29 2.794 4.478 7.911 1.00 0.00 H new ATOM 0 HB2 LYS B 29 4.715 5.677 6.813 1.00 0.00 H new ATOM 0 HB3 LYS B 29 4.078 7.211 7.373 1.00 0.00 H new ATOM 0 HG2 LYS B 29 4.428 6.567 9.720 1.00 0.00 H new ATOM 0 HG3 LYS B 29 4.893 4.944 9.250 1.00 0.00 H new ATOM 0 HD2 LYS B 29 6.890 6.258 9.809 1.00 0.00 H new ATOM 0 HD3 LYS B 29 6.916 5.825 8.111 1.00 0.00 H new ATOM 0 HE2 LYS B 29 6.105 8.117 7.504 1.00 0.00 H new ATOM 0 HE3 LYS B 29 6.047 8.553 9.200 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 8.101 9.271 8.180 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 8.416 8.100 9.369 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 8.471 7.677 7.725 1.00 0.00 H new ATOM 1061 N LYS B 30 1.277 7.312 8.487 1.00 0.00 N ATOM 1062 CA LYS B 30 0.450 8.056 9.459 1.00 0.00 C ATOM 1063 C LYS B 30 -0.550 7.114 10.146 1.00 0.00 C ATOM 1064 O LYS B 30 -0.634 6.989 11.367 1.00 0.00 O ATOM 1065 CB LYS B 30 -0.291 9.191 8.706 1.00 0.00 C ATOM 1066 CG LYS B 30 -0.970 10.258 9.597 1.00 0.00 C ATOM 1067 CD LYS B 30 -2.192 9.760 10.403 1.00 0.00 C ATOM 1068 CE LYS B 30 -2.880 10.889 11.199 1.00 0.00 C ATOM 1069 NZ LYS B 30 -1.941 11.443 12.186 1.00 0.00 N ATOM 0 H LYS B 30 1.315 7.739 7.562 1.00 0.00 H new ATOM 0 HA LYS B 30 1.084 8.485 10.235 1.00 0.00 H new ATOM 0 HB2 LYS B 30 0.421 9.692 8.051 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -1.051 8.742 8.067 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -0.230 10.650 10.294 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -1.285 11.089 8.966 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -2.913 9.310 9.721 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -1.874 8.977 11.092 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -3.214 11.674 10.520 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -3.767 10.504 11.703 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -2.451 12.080 12.831 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -1.513 10.668 12.732 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -1.194 11.974 11.694 1.00 0.00 H new ATOM 1083 N LYS B 31 -1.301 6.409 9.298 1.00 0.00 N ATOM 1084 CA LYS B 31 -2.277 5.405 9.759 1.00 0.00 C ATOM 1085 C LYS B 31 -1.604 4.209 10.457 1.00 0.00 C ATOM 1086 O LYS B 31 -1.968 3.781 11.550 1.00 0.00 O ATOM 1087 CB LYS B 31 -3.084 4.899 8.542 1.00 0.00 C ATOM 1088 CG LYS B 31 -3.841 6.029 7.812 1.00 0.00 C ATOM 1089 CD LYS B 31 -4.639 5.511 6.597 1.00 0.00 C ATOM 1090 CE LYS B 31 -5.352 6.639 5.823 1.00 0.00 C ATOM 1091 NZ LYS B 31 -6.329 7.304 6.696 1.00 0.00 N ATOM 0 H LYS B 31 -1.256 6.511 8.284 1.00 0.00 H new ATOM 0 HA LYS B 31 -2.929 5.883 10.490 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -2.407 4.410 7.841 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -3.798 4.145 8.874 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -4.522 6.517 8.510 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -3.129 6.785 7.481 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -3.964 4.985 5.922 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -5.379 4.786 6.937 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -4.621 7.363 5.463 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -5.854 6.230 4.946 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -6.933 7.931 6.127 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -6.919 6.588 7.166 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -5.828 7.865 7.414 1.00 0.00 H new ATOM 1105 N CYS B 32 -0.584 3.672 9.780 1.00 0.00 N ATOM 1106 CA CYS B 32 0.096 2.440 10.222 1.00 0.00 C ATOM 1107 C CYS B 32 0.870 2.590 11.543 1.00 0.00 C ATOM 1108 O CYS B 32 0.476 2.080 12.592 1.00 0.00 O ATOM 1109 CB CYS B 32 1.032 1.968 9.086 1.00 0.00 C ATOM 1110 SG CYS B 32 0.114 1.243 7.704 1.00 0.00 S ATOM 0 H CYS B 32 -0.206 4.070 8.920 1.00 0.00 H new ATOM 0 HA CYS B 32 -0.672 1.696 10.431 1.00 0.00 H new ATOM 0 HB2 CYS B 32 1.620 2.813 8.727 1.00 0.00 H new ATOM 0 HB3 CYS B 32 1.736 1.234 9.478 1.00 0.00 H new