USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 392 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -0.135 K(o=-0.13,f=-1.2) USER MOD Single : A 7 ASN : amide:sc= -1.6 X(o=-1.6,f=-2.1) USER MOD Single : A 8 LYS NZ :NH3+ -128:sc= 0.362 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 74:sc= -0.708! USER MOD Single : A 15 THR OG1 : rot -55:sc= -0.0416 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -3.13 X(o=-3.1,f=-2.7) USER MOD Single : A 27 HIS : no HE2:sc= -1.65 K(o=-1.7,f=-6!) USER MOD Single : A 29 HIS : no HD1:sc= -0.689 K(o=-0.69,f=-3.9!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -2.43 X(o=-2.4,f=-2.5!) USER MOD Single : A 47 THR OG1 : rot -150:sc= -0.101 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.506 K(o=-0.51,f=-7.2!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.638 0.590 -3.331 1.00 71.22 N ATOM 2 CA GLY A 1 -10.987 -0.304 -2.391 1.00 15.43 C ATOM 3 C GLY A 1 -10.058 0.429 -1.443 1.00 60.34 C ATOM 4 O GLY A 1 -10.468 0.853 -0.363 1.00 12.24 O ATOM 0 H1 GLY A 1 -12.262 0.041 -3.957 1.00 71.22 H new ATOM 0 H2 GLY A 1 -12.201 1.292 -2.810 1.00 71.22 H new ATOM 0 H3 GLY A 1 -10.918 1.078 -3.901 1.00 71.22 H new ATOM 0 HA2 GLY A 1 -11.745 -0.835 -1.815 1.00 15.43 H new ATOM 0 HA3 GLY A 1 -10.421 -1.055 -2.941 1.00 15.43 H new ATOM 8 N THR A 2 -8.800 0.577 -1.847 1.00 70.34 N ATOM 9 CA THR A 2 -7.809 1.260 -1.026 1.00 22.11 C ATOM 10 C THR A 2 -7.050 2.306 -1.835 1.00 75.33 C ATOM 11 O THR A 2 -5.857 2.170 -2.107 1.00 53.01 O ATOM 12 CB THR A 2 -6.800 0.266 -0.420 1.00 33.14 C ATOM 13 OG1 THR A 2 -7.497 -0.800 0.235 1.00 25.40 O ATOM 14 CG2 THR A 2 -5.883 0.964 0.573 1.00 64.12 C ATOM 0 H THR A 2 -8.444 0.233 -2.739 1.00 70.34 H new ATOM 0 HA THR A 2 -8.353 1.752 -0.220 1.00 22.11 H new ATOM 0 HB THR A 2 -6.192 -0.140 -1.229 1.00 33.14 H new ATOM 0 HG1 THR A 2 -6.849 -1.429 0.616 1.00 25.40 H new ATOM 0 HG21 THR A 2 -5.179 0.242 0.988 1.00 64.12 H new ATOM 0 HG22 THR A 2 -5.333 1.757 0.065 1.00 64.12 H new ATOM 0 HG23 THR A 2 -6.479 1.394 1.378 1.00 64.12 H new ATOM 22 N PRO A 3 -7.756 3.376 -2.230 1.00 74.32 N ATOM 23 CA PRO A 3 -7.169 4.467 -3.013 1.00 63.44 C ATOM 24 C PRO A 3 -6.180 5.296 -2.201 1.00 52.21 C ATOM 25 O PRO A 3 -6.242 5.326 -0.972 1.00 22.30 O ATOM 26 CB PRO A 3 -8.381 5.314 -3.407 1.00 33.12 C ATOM 27 CG PRO A 3 -9.397 5.033 -2.354 1.00 12.20 C ATOM 28 CD PRO A 3 -9.182 3.603 -1.942 1.00 14.10 C ATOM 0 HA PRO A 3 -6.597 4.096 -3.864 1.00 63.44 H new ATOM 0 HB2 PRO A 3 -8.129 6.374 -3.441 1.00 33.12 H new ATOM 0 HB3 PRO A 3 -8.750 5.042 -4.396 1.00 33.12 H new ATOM 0 HG2 PRO A 3 -9.276 5.706 -1.505 1.00 12.20 H new ATOM 0 HG3 PRO A 3 -10.407 5.181 -2.737 1.00 12.20 H new ATOM 0 HD2 PRO A 3 -9.408 3.451 -0.887 1.00 14.10 H new ATOM 0 HD3 PRO A 3 -9.819 2.922 -2.506 1.00 14.10 H new ATOM 36 N VAL A 4 -5.269 5.970 -2.896 1.00 22.21 N ATOM 37 CA VAL A 4 -4.268 6.802 -2.239 1.00 23.41 C ATOM 38 C VAL A 4 -4.177 8.175 -2.895 1.00 71.44 C ATOM 39 O VAL A 4 -4.044 8.284 -4.113 1.00 41.25 O ATOM 40 CB VAL A 4 -2.878 6.137 -2.269 1.00 54.45 C ATOM 41 CG1 VAL A 4 -1.874 6.963 -1.480 1.00 32.25 C ATOM 42 CG2 VAL A 4 -2.955 4.717 -1.730 1.00 53.11 C ATOM 0 H VAL A 4 -5.204 5.956 -3.914 1.00 22.21 H new ATOM 0 HA VAL A 4 -4.585 6.919 -1.203 1.00 23.41 H new ATOM 0 HB VAL A 4 -2.539 6.090 -3.304 1.00 54.45 H new ATOM 0 HG11 VAL A 4 -0.898 6.478 -1.512 1.00 32.25 H new ATOM 0 HG12 VAL A 4 -1.799 7.959 -1.917 1.00 32.25 H new ATOM 0 HG13 VAL A 4 -2.204 7.045 -0.444 1.00 32.25 H new ATOM 0 HG21 VAL A 4 -1.965 4.263 -1.759 1.00 53.11 H new ATOM 0 HG22 VAL A 4 -3.315 4.737 -0.701 1.00 53.11 H new ATOM 0 HG23 VAL A 4 -3.640 4.132 -2.343 1.00 53.11 H new ATOM 52 N GLY A 5 -4.250 9.221 -2.079 1.00 10.34 N ATOM 53 CA GLY A 5 -4.174 10.574 -2.598 1.00 51.20 C ATOM 54 C GLY A 5 -5.406 10.960 -3.392 1.00 52.32 C ATOM 55 O GLY A 5 -5.761 10.293 -4.363 1.00 12.22 O ATOM 0 H GLY A 5 -4.360 9.156 -1.067 1.00 10.34 H new ATOM 0 HA2 GLY A 5 -4.046 11.271 -1.770 1.00 51.20 H new ATOM 0 HA3 GLY A 5 -3.293 10.668 -3.232 1.00 51.20 H new ATOM 59 N ASN A 6 -6.061 12.040 -2.978 1.00 0.21 N ATOM 60 CA ASN A 6 -7.262 12.513 -3.656 1.00 73.25 C ATOM 61 C ASN A 6 -6.995 12.740 -5.141 1.00 64.02 C ATOM 62 O ASN A 6 -7.798 12.360 -5.992 1.00 64.22 O ATOM 63 CB ASN A 6 -7.761 13.808 -3.013 1.00 3.14 C ATOM 64 CG ASN A 6 -7.973 13.666 -1.518 1.00 12.23 C ATOM 65 OD1 ASN A 6 -8.025 12.555 -0.990 1.00 1.44 O ATOM 66 ND2 ASN A 6 -8.098 14.794 -0.828 1.00 43.33 N ATOM 0 H ASN A 6 -5.780 12.604 -2.176 1.00 0.21 H new ATOM 0 HA ASN A 6 -8.030 11.746 -3.556 1.00 73.25 H new ATOM 0 HB2 ASN A 6 -7.041 14.605 -3.201 1.00 3.14 H new ATOM 0 HB3 ASN A 6 -8.698 14.107 -3.483 1.00 3.14 H new ATOM 0 HD21 ASN A 6 -8.244 14.761 0.181 1.00 43.33 H new ATOM 0 HD22 ASN A 6 -8.048 15.693 -1.307 1.00 43.33 H new ATOM 73 N ASN A 7 -5.860 13.362 -5.444 1.00 2.21 N ATOM 74 CA ASN A 7 -5.486 13.640 -6.826 1.00 3.22 C ATOM 75 C ASN A 7 -5.567 12.376 -7.676 1.00 42.12 C ATOM 76 O ASN A 7 -4.841 11.409 -7.442 1.00 53.24 O ATOM 77 CB ASN A 7 -4.071 14.219 -6.886 1.00 43.14 C ATOM 78 CG ASN A 7 -4.009 15.649 -6.385 1.00 31.00 C ATOM 79 OD1 ASN A 7 -3.666 15.899 -5.229 1.00 40.14 O ATOM 80 ND2 ASN A 7 -4.343 16.596 -7.255 1.00 24.44 N ATOM 0 H ASN A 7 -5.184 13.683 -4.751 1.00 2.21 H new ATOM 0 HA ASN A 7 -6.188 14.371 -7.227 1.00 3.22 H new ATOM 0 HB2 ASN A 7 -3.402 13.599 -6.289 1.00 43.14 H new ATOM 0 HB3 ASN A 7 -3.709 14.181 -7.914 1.00 43.14 H new ATOM 0 HD21 ASN A 7 -4.321 17.577 -6.975 1.00 24.44 H new ATOM 0 HD22 ASN A 7 -4.621 16.342 -8.203 1.00 24.44 H new ATOM 87 N LYS A 8 -6.454 12.391 -8.665 1.00 34.32 N ATOM 88 CA LYS A 8 -6.631 11.248 -9.553 1.00 24.54 C ATOM 89 C LYS A 8 -5.496 11.169 -10.570 1.00 35.45 C ATOM 90 O LYS A 8 -5.190 10.096 -11.091 1.00 20.11 O ATOM 91 CB LYS A 8 -7.975 11.341 -10.278 1.00 42.41 C ATOM 92 CG LYS A 8 -9.168 11.418 -9.341 1.00 23.10 C ATOM 93 CD LYS A 8 -10.474 11.527 -10.109 1.00 51.42 C ATOM 94 CE LYS A 8 -11.646 11.803 -9.179 1.00 60.15 C ATOM 95 NZ LYS A 8 -12.896 12.094 -9.934 1.00 52.02 N ATOM 0 H LYS A 8 -7.062 13.183 -8.872 1.00 34.32 H new ATOM 0 HA LYS A 8 -6.616 10.343 -8.946 1.00 24.54 H new ATOM 0 HB2 LYS A 8 -7.971 12.221 -10.921 1.00 42.41 H new ATOM 0 HB3 LYS A 8 -8.089 10.473 -10.927 1.00 42.41 H new ATOM 0 HG2 LYS A 8 -9.191 10.532 -8.706 1.00 23.10 H new ATOM 0 HG3 LYS A 8 -9.059 12.280 -8.682 1.00 23.10 H new ATOM 0 HD2 LYS A 8 -10.398 12.326 -10.847 1.00 51.42 H new ATOM 0 HD3 LYS A 8 -10.653 10.602 -10.657 1.00 51.42 H new ATOM 0 HE2 LYS A 8 -11.806 10.942 -8.530 1.00 60.15 H new ATOM 0 HE3 LYS A 8 -11.406 12.648 -8.534 1.00 60.15 H new ATOM 0 HZ1 LYS A 8 -13.309 12.985 -9.591 1.00 52.02 H new ATOM 0 HZ2 LYS A 8 -12.677 12.181 -10.947 1.00 52.02 H new ATOM 0 HZ3 LYS A 8 -13.576 11.320 -9.792 1.00 52.02 H new ATOM 109 N CYS A 9 -4.876 12.310 -10.847 1.00 3.35 N ATOM 110 CA CYS A 9 -3.775 12.371 -11.800 1.00 65.20 C ATOM 111 C CYS A 9 -4.251 12.010 -13.204 1.00 64.03 C ATOM 112 O CYS A 9 -4.187 10.851 -13.613 1.00 75.41 O ATOM 113 CB CYS A 9 -2.650 11.426 -11.373 1.00 4.15 C ATOM 114 SG CYS A 9 -0.977 12.050 -11.735 1.00 62.22 S ATOM 0 H CYS A 9 -5.118 13.206 -10.424 1.00 3.35 H new ATOM 0 HA CYS A 9 -3.396 13.393 -11.815 1.00 65.20 H new ATOM 0 HB2 CYS A 9 -2.733 11.240 -10.302 1.00 4.15 H new ATOM 0 HB3 CYS A 9 -2.785 10.468 -11.874 1.00 4.15 H new ATOM 119 N TRP A 10 -4.726 13.011 -13.937 1.00 20.53 N ATOM 120 CA TRP A 10 -5.213 12.799 -15.295 1.00 65.14 C ATOM 121 C TRP A 10 -4.063 12.465 -16.239 1.00 62.24 C ATOM 122 O TRP A 10 -2.926 12.279 -15.806 1.00 40.43 O ATOM 123 CB TRP A 10 -5.953 14.041 -15.793 1.00 41.32 C ATOM 124 CG TRP A 10 -7.398 13.789 -16.100 1.00 31.55 C ATOM 125 CD1 TRP A 10 -8.422 13.694 -15.201 1.00 30.13 C ATOM 126 CD2 TRP A 10 -7.979 13.596 -17.394 1.00 2.40 C ATOM 127 NE1 TRP A 10 -9.604 13.454 -15.859 1.00 14.34 N ATOM 128 CE2 TRP A 10 -9.360 13.391 -17.205 1.00 4.12 C ATOM 129 CE3 TRP A 10 -7.468 13.580 -18.694 1.00 65.24 C ATOM 130 CZ2 TRP A 10 -10.232 13.171 -18.268 1.00 4.13 C ATOM 131 CZ3 TRP A 10 -8.334 13.361 -19.748 1.00 52.12 C ATOM 132 CH2 TRP A 10 -9.704 13.160 -19.530 1.00 63.12 C ATOM 0 H TRP A 10 -4.784 13.977 -13.614 1.00 20.53 H new ATOM 0 HA TRP A 10 -5.903 11.955 -15.280 1.00 65.14 H new ATOM 0 HB2 TRP A 10 -5.881 14.825 -15.039 1.00 41.32 H new ATOM 0 HB3 TRP A 10 -5.458 14.415 -16.690 1.00 41.32 H new ATOM 0 HD1 TRP A 10 -8.318 13.793 -14.131 1.00 30.13 H new ATOM 0 HE1 TRP A 10 -10.516 13.341 -15.416 1.00 14.34 H new ATOM 0 HE3 TRP A 10 -6.414 13.736 -18.872 1.00 65.24 H new ATOM 0 HZ2 TRP A 10 -11.288 13.015 -18.102 1.00 4.13 H new ATOM 0 HZ3 TRP A 10 -7.949 13.344 -20.757 1.00 52.12 H new ATOM 0 HH2 TRP A 10 -10.356 12.993 -20.375 1.00 63.12 H new ATOM 143 N ALA A 11 -4.366 12.390 -17.531 1.00 72.41 N ATOM 144 CA ALA A 11 -3.357 12.080 -18.536 1.00 61.11 C ATOM 145 C ALA A 11 -2.533 13.315 -18.886 1.00 32.25 C ATOM 146 O ALA A 11 -3.083 14.367 -19.213 1.00 71.44 O ATOM 147 CB ALA A 11 -4.013 11.510 -19.785 1.00 51.10 C ATOM 0 H ALA A 11 -5.303 12.540 -17.906 1.00 72.41 H new ATOM 0 HA ALA A 11 -2.683 11.332 -18.119 1.00 61.11 H new ATOM 0 HB1 ALA A 11 -3.247 11.283 -20.527 1.00 51.10 H new ATOM 0 HB2 ALA A 11 -4.552 10.598 -19.529 1.00 51.10 H new ATOM 0 HB3 ALA A 11 -4.711 12.240 -20.195 1.00 51.10 H new ATOM 153 N ILE A 12 -1.213 13.180 -18.813 1.00 34.14 N ATOM 154 CA ILE A 12 -0.315 14.285 -19.122 1.00 2.13 C ATOM 155 C ILE A 12 -0.510 14.768 -20.555 1.00 13.22 C ATOM 156 O ILE A 12 -0.391 13.994 -21.504 1.00 4.33 O ATOM 157 CB ILE A 12 1.159 13.885 -18.923 1.00 61.35 C ATOM 158 CG1 ILE A 12 1.391 13.402 -17.490 1.00 52.21 C ATOM 159 CG2 ILE A 12 2.074 15.056 -19.248 1.00 63.34 C ATOM 160 CD1 ILE A 12 1.209 14.486 -16.451 1.00 15.12 C ATOM 0 H ILE A 12 -0.742 12.316 -18.543 1.00 34.14 H new ATOM 0 HA ILE A 12 -0.560 15.093 -18.433 1.00 2.13 H new ATOM 0 HB ILE A 12 1.393 13.067 -19.604 1.00 61.35 H new ATOM 0 HG12 ILE A 12 0.703 12.584 -17.275 1.00 52.21 H new ATOM 0 HG13 ILE A 12 2.400 12.999 -17.410 1.00 52.21 H new ATOM 0 HG21 ILE A 12 3.112 14.758 -19.103 1.00 63.34 H new ATOM 0 HG22 ILE A 12 1.925 15.357 -20.285 1.00 63.34 H new ATOM 0 HG23 ILE A 12 1.841 15.893 -18.590 1.00 63.34 H new ATOM 0 HD11 ILE A 12 1.389 14.073 -15.459 1.00 15.12 H new ATOM 0 HD12 ILE A 12 1.915 15.294 -16.641 1.00 15.12 H new ATOM 0 HD13 ILE A 12 0.192 14.873 -16.504 1.00 15.12 H new ATOM 172 N GLY A 13 -0.811 16.055 -20.704 1.00 64.13 N ATOM 173 CA GLY A 13 -1.016 16.620 -22.025 1.00 11.10 C ATOM 174 C GLY A 13 -2.480 16.879 -22.324 1.00 24.43 C ATOM 175 O GLY A 13 -2.812 17.579 -23.280 1.00 51.14 O ATOM 0 H GLY A 13 -0.916 16.716 -19.934 1.00 64.13 H new ATOM 0 HA2 GLY A 13 -0.461 17.554 -22.107 1.00 11.10 H new ATOM 0 HA3 GLY A 13 -0.610 15.941 -22.774 1.00 11.10 H new ATOM 179 N THR A 14 -3.359 16.311 -21.504 1.00 23.50 N ATOM 180 CA THR A 14 -4.795 16.481 -21.687 1.00 24.55 C ATOM 181 C THR A 14 -5.325 17.628 -20.835 1.00 11.12 C ATOM 182 O THR A 14 -4.606 18.183 -20.003 1.00 64.32 O ATOM 183 CB THR A 14 -5.563 15.194 -21.330 1.00 24.23 C ATOM 184 OG1 THR A 14 -4.654 14.090 -21.239 1.00 13.51 O ATOM 185 CG2 THR A 14 -6.630 14.894 -22.371 1.00 40.23 C ATOM 0 H THR A 14 -3.101 15.729 -20.707 1.00 23.50 H new ATOM 0 HA THR A 14 -4.955 16.710 -22.741 1.00 24.55 H new ATOM 0 HB THR A 14 -6.050 15.344 -20.366 1.00 24.23 H new ATOM 0 HG1 THR A 14 -4.130 14.165 -20.414 1.00 13.51 H new ATOM 0 HG21 THR A 14 -7.159 13.981 -22.097 1.00 40.23 H new ATOM 0 HG22 THR A 14 -7.337 15.723 -22.417 1.00 40.23 H new ATOM 0 HG23 THR A 14 -6.161 14.763 -23.346 1.00 40.23 H new ATOM 193 N THR A 15 -6.589 17.981 -21.046 1.00 74.31 N ATOM 194 CA THR A 15 -7.216 19.063 -20.298 1.00 34.11 C ATOM 195 C THR A 15 -7.677 18.587 -18.925 1.00 12.11 C ATOM 196 O THR A 15 -7.959 17.405 -18.729 1.00 31.44 O ATOM 197 CB THR A 15 -8.423 19.646 -21.058 1.00 5.20 C ATOM 198 OG1 THR A 15 -8.135 19.709 -22.459 1.00 44.23 O ATOM 199 CG2 THR A 15 -8.766 21.036 -20.543 1.00 34.53 C ATOM 0 H THR A 15 -7.199 17.533 -21.730 1.00 74.31 H new ATOM 0 HA THR A 15 -6.462 19.841 -20.176 1.00 34.11 H new ATOM 0 HB THR A 15 -9.279 18.992 -20.892 1.00 5.20 H new ATOM 0 HG1 THR A 15 -7.311 20.220 -22.601 1.00 44.23 H new ATOM 0 HG21 THR A 15 -9.621 21.428 -21.094 1.00 34.53 H new ATOM 0 HG22 THR A 15 -9.012 20.981 -19.483 1.00 34.53 H new ATOM 0 HG23 THR A 15 -7.911 21.697 -20.683 1.00 34.53 H new ATOM 207 N CYS A 16 -7.753 19.515 -17.977 1.00 5.21 N ATOM 208 CA CYS A 16 -8.180 19.191 -16.621 1.00 44.22 C ATOM 209 C CYS A 16 -9.691 19.345 -16.476 1.00 21.23 C ATOM 210 O CYS A 16 -10.369 19.810 -17.391 1.00 40.45 O ATOM 211 CB CYS A 16 -7.465 20.090 -15.610 1.00 40.34 C ATOM 212 SG CYS A 16 -5.674 20.255 -15.898 1.00 3.10 S ATOM 0 H CYS A 16 -7.524 20.498 -18.123 1.00 5.21 H new ATOM 0 HA CYS A 16 -7.917 18.152 -16.422 1.00 44.22 H new ATOM 0 HB2 CYS A 16 -7.919 21.081 -15.636 1.00 40.34 H new ATOM 0 HB3 CYS A 16 -7.626 19.692 -14.608 1.00 40.34 H new ATOM 217 N SER A 17 -10.211 18.950 -15.318 1.00 55.21 N ATOM 218 CA SER A 17 -11.643 19.040 -15.053 1.00 44.42 C ATOM 219 C SER A 17 -11.908 19.250 -13.565 1.00 64.54 C ATOM 220 O SER A 17 -12.989 18.937 -13.066 1.00 41.43 O ATOM 221 CB SER A 17 -12.353 17.774 -15.536 1.00 41.43 C ATOM 222 OG SER A 17 -13.292 18.074 -16.554 1.00 74.41 O ATOM 0 H SER A 17 -9.663 18.565 -14.549 1.00 55.21 H new ATOM 0 HA SER A 17 -12.035 19.898 -15.599 1.00 44.42 H new ATOM 0 HB2 SER A 17 -11.618 17.062 -15.913 1.00 41.43 H new ATOM 0 HB3 SER A 17 -12.860 17.295 -14.698 1.00 41.43 H new ATOM 0 HG SER A 17 -13.731 17.249 -16.847 1.00 74.41 H new ATOM 228 N ASP A 18 -10.913 19.780 -12.863 1.00 23.33 N ATOM 229 CA ASP A 18 -11.037 20.032 -11.432 1.00 1.22 C ATOM 230 C ASP A 18 -11.263 18.731 -10.668 1.00 1.20 C ATOM 231 O ASP A 18 -11.047 17.642 -11.200 1.00 0.13 O ATOM 232 CB ASP A 18 -12.187 21.003 -11.162 1.00 14.23 C ATOM 233 CG ASP A 18 -12.302 22.076 -12.227 1.00 5.24 C ATOM 234 OD1 ASP A 18 -11.533 23.058 -12.164 1.00 24.03 O ATOM 235 OD2 ASP A 18 -13.160 21.935 -13.122 1.00 74.34 O ATOM 0 H ASP A 18 -10.012 20.044 -13.261 1.00 23.33 H new ATOM 0 HA ASP A 18 -10.105 20.478 -11.085 1.00 1.22 H new ATOM 0 HB2 ASP A 18 -13.123 20.447 -11.108 1.00 14.23 H new ATOM 0 HB3 ASP A 18 -12.040 21.474 -10.190 1.00 14.23 H new ATOM 240 N ASP A 19 -11.698 18.853 -9.419 1.00 25.34 N ATOM 241 CA ASP A 19 -11.953 17.686 -8.581 1.00 42.50 C ATOM 242 C ASP A 19 -10.684 16.860 -8.399 1.00 5.25 C ATOM 243 O ASP A 19 -10.728 15.630 -8.382 1.00 61.34 O ATOM 244 CB ASP A 19 -13.055 16.822 -9.195 1.00 41.25 C ATOM 245 CG ASP A 19 -13.601 15.800 -8.218 1.00 72.34 C ATOM 246 OD1 ASP A 19 -14.412 16.184 -7.350 1.00 74.44 O ATOM 247 OD2 ASP A 19 -13.217 14.616 -8.321 1.00 62.33 O ATOM 0 H ASP A 19 -11.882 19.747 -8.964 1.00 25.34 H new ATOM 0 HA ASP A 19 -12.280 18.037 -7.602 1.00 42.50 H new ATOM 0 HB2 ASP A 19 -13.867 17.463 -9.537 1.00 41.25 H new ATOM 0 HB3 ASP A 19 -12.663 16.308 -10.073 1.00 41.25 H new ATOM 252 N CYS A 20 -9.553 17.545 -8.262 1.00 64.55 N ATOM 253 CA CYS A 20 -8.270 16.875 -8.083 1.00 11.12 C ATOM 254 C CYS A 20 -7.948 15.985 -9.280 1.00 15.20 C ATOM 255 O CYS A 20 -7.149 15.055 -9.178 1.00 24.10 O ATOM 256 CB CYS A 20 -8.282 16.040 -6.801 1.00 72.21 C ATOM 257 SG CYS A 20 -7.081 16.587 -5.545 1.00 54.23 S ATOM 0 H CYS A 20 -9.499 18.564 -8.272 1.00 64.55 H new ATOM 0 HA CYS A 20 -7.497 17.640 -8.004 1.00 11.12 H new ATOM 0 HB2 CYS A 20 -9.282 16.071 -6.369 1.00 72.21 H new ATOM 0 HB3 CYS A 20 -8.077 15.000 -7.056 1.00 72.21 H new ATOM 262 N ASP A 21 -8.577 16.278 -10.413 1.00 70.21 N ATOM 263 CA ASP A 21 -8.357 15.506 -11.631 1.00 34.34 C ATOM 264 C ASP A 21 -6.868 15.389 -11.939 1.00 20.23 C ATOM 265 O ASP A 21 -6.334 14.287 -12.068 1.00 34.52 O ATOM 266 CB ASP A 21 -9.085 16.154 -12.809 1.00 73.03 C ATOM 267 CG ASP A 21 -10.403 15.472 -13.122 1.00 2.10 C ATOM 268 OD1 ASP A 21 -10.428 14.224 -13.174 1.00 43.33 O ATOM 269 OD2 ASP A 21 -11.409 16.186 -13.314 1.00 30.04 O ATOM 0 H ASP A 21 -9.243 17.044 -10.514 1.00 70.21 H new ATOM 0 HA ASP A 21 -8.756 14.504 -11.474 1.00 34.34 H new ATOM 0 HB2 ASP A 21 -9.267 17.205 -12.586 1.00 73.03 H new ATOM 0 HB3 ASP A 21 -8.444 16.122 -13.690 1.00 73.03 H new ATOM 274 N CYS A 22 -6.202 16.533 -12.056 1.00 62.54 N ATOM 275 CA CYS A 22 -4.774 16.560 -12.351 1.00 32.30 C ATOM 276 C CYS A 22 -3.954 16.300 -11.091 1.00 3.43 C ATOM 277 O CYS A 22 -4.479 16.329 -9.977 1.00 52.45 O ATOM 278 CB CYS A 22 -4.383 17.908 -12.959 1.00 12.22 C ATOM 279 SG CYS A 22 -4.317 17.912 -14.779 1.00 61.03 S ATOM 0 H CYS A 22 -6.628 17.454 -11.951 1.00 62.54 H new ATOM 0 HA CYS A 22 -4.562 15.770 -13.071 1.00 32.30 H new ATOM 0 HB2 CYS A 22 -5.097 18.663 -12.630 1.00 12.22 H new ATOM 0 HB3 CYS A 22 -3.408 18.201 -12.570 1.00 12.22 H new ATOM 284 N CYS A 23 -2.662 16.047 -11.274 1.00 53.01 N ATOM 285 CA CYS A 23 -1.768 15.782 -10.154 1.00 1.33 C ATOM 286 C CYS A 23 -1.292 17.085 -9.518 1.00 11.32 C ATOM 287 O CYS A 23 -1.356 18.158 -10.119 1.00 12.04 O ATOM 288 CB CYS A 23 -0.564 14.959 -10.618 1.00 55.40 C ATOM 289 SG CYS A 23 -0.642 13.200 -10.151 1.00 41.23 S ATOM 0 H CYS A 23 -2.211 16.020 -12.189 1.00 53.01 H new ATOM 0 HA CYS A 23 -2.322 15.214 -9.407 1.00 1.33 H new ATOM 0 HB2 CYS A 23 -0.483 15.033 -11.702 1.00 55.40 H new ATOM 0 HB3 CYS A 23 0.343 15.395 -10.200 1.00 55.40 H new ATOM 294 N PRO A 24 -0.803 16.992 -8.273 1.00 24.45 N ATOM 295 CA PRO A 24 -0.306 18.152 -7.528 1.00 5.41 C ATOM 296 C PRO A 24 0.997 18.696 -8.104 1.00 42.43 C ATOM 297 O PRO A 24 1.193 19.909 -8.183 1.00 32.43 O ATOM 298 CB PRO A 24 -0.077 17.599 -6.119 1.00 71.12 C ATOM 299 CG PRO A 24 0.151 16.140 -6.318 1.00 11.23 C ATOM 300 CD PRO A 24 -0.696 15.745 -7.496 1.00 11.23 C ATOM 0 HA PRO A 24 -1.004 18.988 -7.564 1.00 5.41 H new ATOM 0 HB2 PRO A 24 0.781 18.073 -5.642 1.00 71.12 H new ATOM 0 HB3 PRO A 24 -0.939 17.781 -5.477 1.00 71.12 H new ATOM 0 HG2 PRO A 24 1.204 15.932 -6.507 1.00 11.23 H new ATOM 0 HG3 PRO A 24 -0.130 15.576 -5.429 1.00 11.23 H new ATOM 0 HD2 PRO A 24 -0.230 14.949 -8.077 1.00 11.23 H new ATOM 0 HD3 PRO A 24 -1.675 15.381 -7.183 1.00 11.23 H new ATOM 308 N GLU A 25 1.884 17.792 -8.506 1.00 65.34 N ATOM 309 CA GLU A 25 3.169 18.183 -9.075 1.00 71.23 C ATOM 310 C GLU A 25 2.990 18.758 -10.477 1.00 44.42 C ATOM 311 O GLU A 25 3.928 19.302 -11.061 1.00 63.15 O ATOM 312 CB GLU A 25 4.118 16.983 -9.122 1.00 13.24 C ATOM 313 CG GLU A 25 5.171 16.998 -8.027 1.00 22.23 C ATOM 314 CD GLU A 25 6.534 17.427 -8.534 1.00 62.43 C ATOM 315 OE1 GLU A 25 7.208 16.606 -9.191 1.00 43.22 O ATOM 316 OE2 GLU A 25 6.926 18.584 -8.274 1.00 63.53 O ATOM 0 H GLU A 25 1.737 16.784 -8.448 1.00 65.34 H new ATOM 0 HA GLU A 25 3.601 18.954 -8.436 1.00 71.23 H new ATOM 0 HB2 GLU A 25 3.535 16.066 -9.041 1.00 13.24 H new ATOM 0 HB3 GLU A 25 4.615 16.961 -10.092 1.00 13.24 H new ATOM 0 HG2 GLU A 25 4.854 17.674 -7.233 1.00 22.23 H new ATOM 0 HG3 GLU A 25 5.247 16.003 -7.588 1.00 22.23 H new ATOM 323 N HIS A 26 1.780 18.634 -11.012 1.00 14.43 N ATOM 324 CA HIS A 26 1.477 19.142 -12.345 1.00 51.02 C ATOM 325 C HIS A 26 0.414 20.235 -12.282 1.00 60.33 C ATOM 326 O HIS A 26 -0.262 20.400 -11.266 1.00 73.54 O ATOM 327 CB HIS A 26 1.003 18.005 -13.251 1.00 43.23 C ATOM 328 CG HIS A 26 1.828 16.760 -13.131 1.00 54.52 C ATOM 329 ND1 HIS A 26 1.319 15.497 -13.346 1.00 15.10 N ATOM 330 CD2 HIS A 26 3.133 16.590 -12.818 1.00 44.11 C ATOM 331 CE1 HIS A 26 2.275 14.603 -13.168 1.00 41.44 C ATOM 332 NE2 HIS A 26 3.387 15.241 -12.848 1.00 34.21 N ATOM 0 H HIS A 26 0.993 18.186 -10.543 1.00 14.43 H new ATOM 0 HA HIS A 26 2.389 19.571 -12.759 1.00 51.02 H new ATOM 0 HB2 HIS A 26 -0.034 17.769 -13.011 1.00 43.23 H new ATOM 0 HB3 HIS A 26 1.021 18.345 -14.287 1.00 43.23 H new ATOM 0 HD2 HIS A 26 3.843 17.370 -12.587 1.00 44.11 H new ATOM 0 HE1 HIS A 26 2.166 13.533 -13.267 1.00 41.44 H new ATOM 0 HE2 HIS A 26 4.288 14.803 -12.655 1.00 34.21 H new ATOM 340 N HIS A 27 0.272 20.980 -13.374 1.00 64.42 N ATOM 341 CA HIS A 27 -0.708 22.057 -13.443 1.00 13.13 C ATOM 342 C HIS A 27 -1.339 22.130 -14.830 1.00 51.10 C ATOM 343 O HIS A 27 -0.855 21.510 -15.777 1.00 62.21 O ATOM 344 CB HIS A 27 -0.053 23.394 -13.097 1.00 0.44 C ATOM 345 CG HIS A 27 1.229 23.641 -13.831 1.00 11.12 C ATOM 346 ND1 HIS A 27 1.533 23.044 -15.036 1.00 54.43 N ATOM 347 CD2 HIS A 27 2.288 24.427 -13.524 1.00 74.14 C ATOM 348 CE1 HIS A 27 2.723 23.451 -15.439 1.00 3.03 C ATOM 349 NE2 HIS A 27 3.203 24.291 -14.539 1.00 52.02 N ATOM 0 H HIS A 27 0.824 20.857 -14.223 1.00 64.42 H new ATOM 0 HA HIS A 27 -1.493 21.847 -12.717 1.00 13.13 H new ATOM 0 HB2 HIS A 27 -0.752 24.200 -13.321 1.00 0.44 H new ATOM 0 HB3 HIS A 27 0.140 23.428 -12.025 1.00 0.44 H new ATOM 0 HD1 HIS A 27 0.932 22.390 -15.538 1.00 54.43 H new ATOM 0 HD2 HIS A 27 2.393 25.045 -12.645 1.00 74.14 H new ATOM 0 HE1 HIS A 27 3.219 23.149 -16.349 1.00 3.03 H new ATOM 357 N CYS A 28 -2.422 22.891 -14.943 1.00 15.23 N ATOM 358 CA CYS A 28 -3.121 23.045 -16.213 1.00 61.21 C ATOM 359 C CYS A 28 -2.603 24.261 -16.975 1.00 10.41 C ATOM 360 O CYS A 28 -2.953 25.400 -16.661 1.00 31.52 O ATOM 361 CB CYS A 28 -4.627 23.180 -15.978 1.00 63.41 C ATOM 362 SG CYS A 28 -5.641 22.054 -16.989 1.00 63.43 S ATOM 0 H CYS A 28 -2.835 23.411 -14.169 1.00 15.23 H new ATOM 0 HA CYS A 28 -2.932 22.155 -16.813 1.00 61.21 H new ATOM 0 HB2 CYS A 28 -4.838 22.995 -14.925 1.00 63.41 H new ATOM 0 HB3 CYS A 28 -4.926 24.207 -16.187 1.00 63.41 H new ATOM 367 N HIS A 29 -1.767 24.013 -17.978 1.00 71.32 N ATOM 368 CA HIS A 29 -1.201 25.087 -18.786 1.00 12.30 C ATOM 369 C HIS A 29 -2.242 25.647 -19.751 1.00 42.12 C ATOM 370 O HIS A 29 -2.784 24.922 -20.586 1.00 23.43 O ATOM 371 CB HIS A 29 0.014 24.583 -19.564 1.00 62.24 C ATOM 372 CG HIS A 29 0.907 25.680 -20.057 1.00 61.44 C ATOM 373 ND1 HIS A 29 0.453 26.952 -20.336 1.00 24.51 N ATOM 374 CD2 HIS A 29 2.235 25.689 -20.320 1.00 10.52 C ATOM 375 CE1 HIS A 29 1.463 27.696 -20.750 1.00 62.10 C ATOM 376 NE2 HIS A 29 2.556 26.954 -20.749 1.00 32.11 N ATOM 0 H HIS A 29 -1.466 23.077 -18.251 1.00 71.32 H new ATOM 0 HA HIS A 29 -0.886 25.886 -18.115 1.00 12.30 H new ATOM 0 HB2 HIS A 29 0.592 23.914 -18.926 1.00 62.24 H new ATOM 0 HB3 HIS A 29 -0.328 23.994 -20.415 1.00 62.24 H new ATOM 0 HD2 HIS A 29 2.915 24.857 -20.213 1.00 10.52 H new ATOM 0 HE1 HIS A 29 1.405 28.735 -21.040 1.00 62.10 H new ATOM 0 HE2 HIS A 29 3.487 27.269 -21.022 1.00 32.11 H new ATOM 384 N CYS A 30 -2.517 26.942 -19.631 1.00 70.43 N ATOM 385 CA CYS A 30 -3.493 27.599 -20.492 1.00 12.25 C ATOM 386 C CYS A 30 -2.844 28.727 -21.288 1.00 42.20 C ATOM 387 O CYS A 30 -2.986 29.908 -20.969 1.00 74.22 O ATOM 388 CB CYS A 30 -4.651 28.150 -19.656 1.00 44.44 C ATOM 389 SG CYS A 30 -5.566 26.881 -18.724 1.00 64.32 S ATOM 0 H CYS A 30 -2.078 27.557 -18.946 1.00 70.43 H new ATOM 0 HA CYS A 30 -3.879 26.859 -21.193 1.00 12.25 H new ATOM 0 HB2 CYS A 30 -4.260 28.888 -18.956 1.00 44.44 H new ATOM 0 HB3 CYS A 30 -5.345 28.672 -20.315 1.00 44.44 H new ATOM 394 N PRO A 31 -2.113 28.357 -22.350 1.00 20.10 N ATOM 395 CA PRO A 31 -1.428 29.322 -23.215 1.00 4.03 C ATOM 396 C PRO A 31 -2.402 30.146 -24.049 1.00 42.43 C ATOM 397 O PRO A 31 -3.617 30.031 -23.895 1.00 53.34 O ATOM 398 CB PRO A 31 -0.564 28.438 -24.118 1.00 54.14 C ATOM 399 CG PRO A 31 -1.264 27.123 -24.143 1.00 14.34 C ATOM 400 CD PRO A 31 -1.900 26.967 -22.789 1.00 2.53 C ATOM 0 HA PRO A 31 -0.859 30.052 -22.640 1.00 4.03 H new ATOM 0 HB2 PRO A 31 -0.478 28.860 -25.119 1.00 54.14 H new ATOM 0 HB3 PRO A 31 0.448 28.340 -23.725 1.00 54.14 H new ATOM 0 HG2 PRO A 31 -2.015 27.096 -24.932 1.00 14.34 H new ATOM 0 HG3 PRO A 31 -0.564 26.312 -24.341 1.00 14.34 H new ATOM 0 HD2 PRO A 31 -2.838 26.416 -22.847 1.00 2.53 H new ATOM 0 HD3 PRO A 31 -1.253 26.423 -22.101 1.00 2.53 H new ATOM 408 N ALA A 32 -1.860 30.978 -24.934 1.00 21.45 N ATOM 409 CA ALA A 32 -2.682 31.819 -25.794 1.00 42.32 C ATOM 410 C ALA A 32 -3.418 30.985 -26.837 1.00 63.01 C ATOM 411 O ALA A 32 -3.428 29.757 -26.769 1.00 71.30 O ATOM 412 CB ALA A 32 -1.824 32.878 -26.472 1.00 32.14 C ATOM 0 H ALA A 32 -0.855 31.087 -25.073 1.00 21.45 H new ATOM 0 HA ALA A 32 -3.427 32.314 -25.171 1.00 42.32 H new ATOM 0 HB1 ALA A 32 -2.451 33.499 -27.112 1.00 32.14 H new ATOM 0 HB2 ALA A 32 -1.349 33.501 -25.714 1.00 32.14 H new ATOM 0 HB3 ALA A 32 -1.057 32.393 -27.076 1.00 32.14 H new ATOM 418 N GLY A 33 -4.034 31.661 -27.802 1.00 45.14 N ATOM 419 CA GLY A 33 -4.764 30.965 -28.845 1.00 53.44 C ATOM 420 C GLY A 33 -5.812 31.842 -29.502 1.00 75.51 C ATOM 421 O GLY A 33 -6.546 32.561 -28.823 1.00 63.13 O ATOM 0 H GLY A 33 -4.040 32.678 -27.880 1.00 45.14 H new ATOM 0 HA2 GLY A 33 -4.063 30.612 -29.602 1.00 53.44 H new ATOM 0 HA3 GLY A 33 -5.246 30.084 -28.421 1.00 53.44 H new ATOM 425 N LYS A 34 -5.884 31.784 -30.828 1.00 23.44 N ATOM 426 CA LYS A 34 -6.849 32.578 -31.578 1.00 31.10 C ATOM 427 C LYS A 34 -8.225 31.920 -31.561 1.00 71.24 C ATOM 428 O LYS A 34 -8.476 31.005 -30.777 1.00 71.43 O ATOM 429 CB LYS A 34 -6.377 32.761 -33.022 1.00 51.31 C ATOM 430 CG LYS A 34 -6.500 34.189 -33.526 1.00 10.05 C ATOM 431 CD LYS A 34 -5.688 34.406 -34.791 1.00 64.02 C ATOM 432 CE LYS A 34 -5.900 35.802 -35.357 1.00 61.44 C ATOM 433 NZ LYS A 34 -4.623 36.563 -35.450 1.00 73.31 N ATOM 0 H LYS A 34 -5.284 31.194 -31.405 1.00 23.44 H new ATOM 0 HA LYS A 34 -6.927 33.555 -31.101 1.00 31.10 H new ATOM 0 HB2 LYS A 34 -5.336 32.446 -33.098 1.00 51.31 H new ATOM 0 HB3 LYS A 34 -6.957 32.104 -33.671 1.00 51.31 H new ATOM 0 HG2 LYS A 34 -7.548 34.418 -33.721 1.00 10.05 H new ATOM 0 HG3 LYS A 34 -6.162 34.879 -32.753 1.00 10.05 H new ATOM 0 HD2 LYS A 34 -4.630 34.256 -34.576 1.00 64.02 H new ATOM 0 HD3 LYS A 34 -5.970 33.663 -35.537 1.00 64.02 H new ATOM 0 HE2 LYS A 34 -6.351 35.728 -36.346 1.00 61.44 H new ATOM 0 HE3 LYS A 34 -6.602 36.347 -34.726 1.00 61.44 H new ATOM 0 HZ1 LYS A 34 -4.810 37.509 -35.840 1.00 73.31 H new ATOM 0 HZ2 LYS A 34 -4.204 36.656 -34.502 1.00 73.31 H new ATOM 0 HZ3 LYS A 34 -3.962 36.056 -36.072 1.00 73.31 H new ATOM 447 N TRP A 35 -9.111 32.390 -32.432 1.00 11.55 N ATOM 448 CA TRP A 35 -10.461 31.846 -32.517 1.00 75.12 C ATOM 449 C TRP A 35 -11.198 32.007 -31.192 1.00 75.22 C ATOM 450 O TRP A 35 -10.988 31.235 -30.256 1.00 34.42 O ATOM 451 CB TRP A 35 -10.414 30.369 -32.912 1.00 42.04 C ATOM 452 CG TRP A 35 -11.717 29.658 -32.710 1.00 74.41 C ATOM 453 CD1 TRP A 35 -12.014 28.754 -31.730 1.00 74.12 C ATOM 454 CD2 TRP A 35 -12.899 29.790 -33.508 1.00 64.33 C ATOM 455 NE1 TRP A 35 -13.309 28.316 -31.871 1.00 52.22 N ATOM 456 CE2 TRP A 35 -13.873 28.937 -32.954 1.00 14.21 C ATOM 457 CE3 TRP A 35 -13.228 30.547 -34.636 1.00 34.52 C ATOM 458 CZ2 TRP A 35 -15.153 28.822 -33.491 1.00 22.31 C ATOM 459 CZ3 TRP A 35 -14.499 30.430 -35.168 1.00 5.44 C ATOM 460 CH2 TRP A 35 -15.448 29.574 -34.595 1.00 14.10 C ATOM 0 H TRP A 35 -8.919 33.146 -33.089 1.00 11.55 H new ATOM 0 HA TRP A 35 -11.002 32.403 -33.282 1.00 75.12 H new ATOM 0 HB2 TRP A 35 -10.124 30.290 -33.960 1.00 42.04 H new ATOM 0 HB3 TRP A 35 -9.641 29.869 -32.328 1.00 42.04 H new ATOM 0 HD1 TRP A 35 -11.331 28.431 -30.958 1.00 74.12 H new ATOM 0 HE1 TRP A 35 -13.775 27.638 -31.267 1.00 52.22 H new ATOM 0 HE3 TRP A 35 -12.503 31.211 -35.084 1.00 34.52 H new ATOM 0 HZ2 TRP A 35 -15.887 28.163 -33.051 1.00 22.31 H new ATOM 0 HZ3 TRP A 35 -14.764 31.009 -36.040 1.00 5.44 H new ATOM 0 HH2 TRP A 35 -16.433 29.506 -35.034 1.00 14.10 H new ATOM 471 N LEU A 36 -12.062 33.013 -31.119 1.00 54.23 N ATOM 472 CA LEU A 36 -12.832 33.275 -29.908 1.00 5.04 C ATOM 473 C LEU A 36 -11.911 33.635 -28.746 1.00 13.33 C ATOM 474 O LEU A 36 -10.749 33.232 -28.694 1.00 32.21 O ATOM 475 CB LEU A 36 -13.678 32.054 -29.543 1.00 63.12 C ATOM 476 CG LEU A 36 -15.148 32.107 -29.961 1.00 43.10 C ATOM 477 CD1 LEU A 36 -15.505 30.898 -30.811 1.00 71.30 C ATOM 478 CD2 LEU A 36 -16.048 32.185 -28.736 1.00 43.44 C ATOM 0 H LEU A 36 -12.247 33.661 -31.884 1.00 54.23 H new ATOM 0 HA LEU A 36 -13.491 34.121 -30.102 1.00 5.04 H new ATOM 0 HB2 LEU A 36 -13.224 31.173 -29.997 1.00 63.12 H new ATOM 0 HB3 LEU A 36 -13.633 31.915 -28.463 1.00 63.12 H new ATOM 0 HG LEU A 36 -15.304 33.005 -30.559 1.00 43.10 H new ATOM 0 HD11 LEU A 36 -16.555 30.953 -31.099 1.00 71.30 H new ATOM 0 HD12 LEU A 36 -14.883 30.886 -31.706 1.00 71.30 H new ATOM 0 HD13 LEU A 36 -15.333 29.987 -30.238 1.00 71.30 H new ATOM 0 HD21 LEU A 36 -17.090 32.222 -29.052 1.00 43.44 H new ATOM 0 HD22 LEU A 36 -15.889 31.306 -28.111 1.00 43.44 H new ATOM 0 HD23 LEU A 36 -15.810 33.083 -28.166 1.00 43.44 H new ATOM 490 N PRO A 37 -12.442 34.411 -27.789 1.00 2.40 N ATOM 491 CA PRO A 37 -11.686 34.841 -26.608 1.00 71.35 C ATOM 492 C PRO A 37 -11.401 33.688 -25.652 1.00 21.10 C ATOM 493 O PRO A 37 -12.317 33.004 -25.198 1.00 31.10 O ATOM 494 CB PRO A 37 -12.611 35.866 -25.949 1.00 13.42 C ATOM 495 CG PRO A 37 -13.980 35.486 -26.398 1.00 41.22 C ATOM 496 CD PRO A 37 -13.820 34.929 -27.786 1.00 13.13 C ATOM 0 HA PRO A 37 -10.707 35.239 -26.873 1.00 71.35 H new ATOM 0 HB2 PRO A 37 -12.528 35.834 -24.863 1.00 13.42 H new ATOM 0 HB3 PRO A 37 -12.361 36.881 -26.258 1.00 13.42 H new ATOM 0 HG2 PRO A 37 -14.419 34.746 -25.729 1.00 41.22 H new ATOM 0 HG3 PRO A 37 -14.645 36.350 -26.398 1.00 41.22 H new ATOM 0 HD2 PRO A 37 -14.546 34.141 -27.989 1.00 13.13 H new ATOM 0 HD3 PRO A 37 -13.962 35.697 -28.546 1.00 13.13 H new ATOM 504 N GLY A 38 -10.123 33.478 -25.349 1.00 52.22 N ATOM 505 CA GLY A 38 -9.741 32.407 -24.448 1.00 4.22 C ATOM 506 C GLY A 38 -10.432 31.099 -24.776 1.00 22.33 C ATOM 507 O GLY A 38 -10.812 30.346 -23.877 1.00 41.54 O ATOM 0 H GLY A 38 -9.346 34.031 -25.712 1.00 52.22 H new ATOM 0 HA2 GLY A 38 -8.661 32.265 -24.494 1.00 4.22 H new ATOM 0 HA3 GLY A 38 -9.981 32.695 -23.424 1.00 4.22 H new ATOM 511 N LEU A 39 -10.597 30.826 -26.065 1.00 71.22 N ATOM 512 CA LEU A 39 -11.249 29.599 -26.510 1.00 54.12 C ATOM 513 C LEU A 39 -10.280 28.422 -26.471 1.00 50.14 C ATOM 514 O LEU A 39 -10.694 27.266 -26.388 1.00 32.42 O ATOM 515 CB LEU A 39 -11.799 29.775 -27.927 1.00 10.42 C ATOM 516 CG LEU A 39 -13.138 29.097 -28.216 1.00 74.23 C ATOM 517 CD1 LEU A 39 -13.007 27.586 -28.102 1.00 51.01 C ATOM 518 CD2 LEU A 39 -14.213 29.614 -27.271 1.00 73.42 C ATOM 0 H LEU A 39 -10.288 31.437 -26.821 1.00 71.22 H new ATOM 0 HA LEU A 39 -12.074 29.389 -25.830 1.00 54.12 H new ATOM 0 HB2 LEU A 39 -11.905 30.842 -28.124 1.00 10.42 H new ATOM 0 HB3 LEU A 39 -11.061 29.392 -28.632 1.00 10.42 H new ATOM 0 HG LEU A 39 -13.433 29.339 -29.237 1.00 74.23 H new ATOM 0 HD11 LEU A 39 -13.970 27.120 -28.311 1.00 51.01 H new ATOM 0 HD12 LEU A 39 -12.268 27.230 -28.820 1.00 51.01 H new ATOM 0 HD13 LEU A 39 -12.689 27.323 -27.093 1.00 51.01 H new ATOM 0 HD21 LEU A 39 -15.159 29.120 -27.491 1.00 73.42 H new ATOM 0 HD22 LEU A 39 -13.925 29.403 -26.241 1.00 73.42 H new ATOM 0 HD23 LEU A 39 -14.326 30.690 -27.402 1.00 73.42 H new ATOM 530 N PHE A 40 -8.987 28.725 -26.531 1.00 34.45 N ATOM 531 CA PHE A 40 -7.958 27.692 -26.501 1.00 34.31 C ATOM 532 C PHE A 40 -8.164 26.753 -25.316 1.00 31.13 C ATOM 533 O PHE A 40 -8.811 27.111 -24.332 1.00 33.04 O ATOM 534 CB PHE A 40 -6.569 28.328 -26.427 1.00 1.24 C ATOM 535 CG PHE A 40 -6.441 29.363 -25.346 1.00 2.32 C ATOM 536 CD1 PHE A 40 -6.489 28.999 -24.010 1.00 23.31 C ATOM 537 CD2 PHE A 40 -6.272 30.701 -25.666 1.00 21.24 C ATOM 538 CE1 PHE A 40 -6.372 29.949 -23.014 1.00 1.45 C ATOM 539 CE2 PHE A 40 -6.154 31.656 -24.673 1.00 70.05 C ATOM 540 CZ PHE A 40 -6.203 31.279 -23.346 1.00 11.43 C ATOM 0 H PHE A 40 -8.627 29.677 -26.601 1.00 34.45 H new ATOM 0 HA PHE A 40 -8.035 27.111 -27.420 1.00 34.31 H new ATOM 0 HB2 PHE A 40 -5.828 27.546 -26.260 1.00 1.24 H new ATOM 0 HB3 PHE A 40 -6.337 28.787 -27.388 1.00 1.24 H new ATOM 0 HD1 PHE A 40 -6.619 27.960 -23.744 1.00 23.31 H new ATOM 0 HD2 PHE A 40 -6.232 31.001 -26.703 1.00 21.24 H new ATOM 0 HE1 PHE A 40 -6.413 29.652 -21.976 1.00 1.45 H new ATOM 0 HE2 PHE A 40 -6.024 32.696 -24.935 1.00 70.05 H new ATOM 0 HZ PHE A 40 -6.109 32.023 -22.569 1.00 11.43 H new ATOM 550 N ARG A 41 -7.609 25.550 -25.418 1.00 72.45 N ATOM 551 CA ARG A 41 -7.733 24.558 -24.357 1.00 2.12 C ATOM 552 C ARG A 41 -6.463 24.505 -23.512 1.00 15.54 C ATOM 553 O ARG A 41 -5.426 25.048 -23.895 1.00 34.40 O ATOM 554 CB ARG A 41 -8.021 23.178 -24.950 1.00 61.20 C ATOM 555 CG ARG A 41 -9.493 22.801 -24.928 1.00 72.23 C ATOM 556 CD ARG A 41 -9.697 21.379 -24.428 1.00 40.22 C ATOM 557 NE ARG A 41 -10.789 20.705 -25.125 1.00 15.32 N ATOM 558 CZ ARG A 41 -10.676 20.189 -26.343 1.00 54.05 C ATOM 559 NH1 ARG A 41 -9.525 20.269 -26.997 1.00 34.23 N ATOM 560 NH2 ARG A 41 -11.716 19.591 -26.911 1.00 31.10 N ATOM 0 H ARG A 41 -7.069 25.239 -26.225 1.00 72.45 H new ATOM 0 HA ARG A 41 -8.564 24.851 -23.716 1.00 2.12 H new ATOM 0 HB2 ARG A 41 -7.663 23.152 -25.979 1.00 61.20 H new ATOM 0 HB3 ARG A 41 -7.454 22.429 -24.397 1.00 61.20 H new ATOM 0 HG2 ARG A 41 -10.038 23.495 -24.287 1.00 72.23 H new ATOM 0 HG3 ARG A 41 -9.910 22.899 -25.930 1.00 72.23 H new ATOM 0 HD2 ARG A 41 -8.776 20.812 -24.563 1.00 40.22 H new ATOM 0 HD3 ARG A 41 -9.906 21.397 -23.358 1.00 40.22 H new ATOM 0 HE ARG A 41 -11.688 20.626 -24.650 1.00 15.32 H new ATOM 0 HH11 ARG A 41 -8.723 20.728 -26.564 1.00 34.23 H new ATOM 0 HH12 ARG A 41 -9.441 19.872 -27.933 1.00 34.23 H new ATOM 0 HH21 ARG A 41 -12.603 19.528 -26.412 1.00 31.10 H new ATOM 0 HH22 ARG A 41 -11.628 19.195 -27.847 1.00 31.10 H new ATOM 574 N CYS A 42 -6.553 23.850 -22.359 1.00 61.44 N ATOM 575 CA CYS A 42 -5.413 23.726 -21.459 1.00 12.33 C ATOM 576 C CYS A 42 -4.905 22.288 -21.419 1.00 4.14 C ATOM 577 O CYS A 42 -5.646 21.347 -21.703 1.00 31.23 O ATOM 578 CB CYS A 42 -5.798 24.182 -20.050 1.00 12.21 C ATOM 579 SG CYS A 42 -6.646 25.794 -19.996 1.00 24.15 S ATOM 0 H CYS A 42 -7.404 23.397 -22.026 1.00 61.44 H new ATOM 0 HA CYS A 42 -4.614 24.364 -21.835 1.00 12.33 H new ATOM 0 HB2 CYS A 42 -6.444 23.428 -19.600 1.00 12.21 H new ATOM 0 HB3 CYS A 42 -4.897 24.237 -19.438 1.00 12.21 H new ATOM 584 N THR A 43 -3.634 22.125 -21.063 1.00 41.22 N ATOM 585 CA THR A 43 -3.025 20.803 -20.986 1.00 52.25 C ATOM 586 C THR A 43 -2.267 20.622 -19.676 1.00 50.34 C ATOM 587 O THR A 43 -1.644 21.558 -19.173 1.00 61.35 O ATOM 588 CB THR A 43 -2.061 20.560 -22.163 1.00 23.35 C ATOM 589 OG1 THR A 43 -1.100 21.619 -22.235 1.00 63.23 O ATOM 590 CG2 THR A 43 -2.822 20.467 -23.476 1.00 42.54 C ATOM 0 H THR A 43 -3.007 22.893 -20.823 1.00 41.22 H new ATOM 0 HA THR A 43 -3.837 20.077 -21.035 1.00 52.25 H new ATOM 0 HB THR A 43 -1.546 19.614 -21.993 1.00 23.35 H new ATOM 0 HG1 THR A 43 -0.490 21.457 -22.984 1.00 63.23 H new ATOM 0 HG21 THR A 43 -2.120 20.295 -24.292 1.00 42.54 H new ATOM 0 HG22 THR A 43 -3.531 19.641 -23.428 1.00 42.54 H new ATOM 0 HG23 THR A 43 -3.361 21.398 -23.651 1.00 42.54 H new ATOM 598 N CYS A 44 -2.323 19.413 -19.128 1.00 12.31 N ATOM 599 CA CYS A 44 -1.642 19.109 -17.876 1.00 25.33 C ATOM 600 C CYS A 44 -0.159 18.840 -18.115 1.00 45.21 C ATOM 601 O CYS A 44 0.204 17.980 -18.917 1.00 25.13 O ATOM 602 CB CYS A 44 -2.288 17.898 -17.200 1.00 61.44 C ATOM 603 SG CYS A 44 -2.453 18.054 -15.393 1.00 10.31 S ATOM 0 H CYS A 44 -2.833 18.628 -19.532 1.00 12.31 H new ATOM 0 HA CYS A 44 -1.736 19.975 -17.221 1.00 25.33 H new ATOM 0 HB2 CYS A 44 -3.276 17.739 -17.632 1.00 61.44 H new ATOM 0 HB3 CYS A 44 -1.695 17.011 -17.425 1.00 61.44 H new ATOM 608 N GLN A 45 0.692 19.582 -17.414 1.00 3.42 N ATOM 609 CA GLN A 45 2.135 19.424 -17.551 1.00 3.55 C ATOM 610 C GLN A 45 2.833 19.611 -16.207 1.00 41.13 C ATOM 611 O GLN A 45 2.292 20.238 -15.297 1.00 12.33 O ATOM 612 CB GLN A 45 2.685 20.426 -18.568 1.00 21.13 C ATOM 613 CG GLN A 45 2.293 20.113 -20.003 1.00 25.42 C ATOM 614 CD GLN A 45 2.562 18.669 -20.379 1.00 63.11 C ATOM 615 OE1 GLN A 45 3.482 18.040 -19.856 1.00 22.35 O ATOM 616 NE2 GLN A 45 1.759 18.135 -21.292 1.00 14.24 N ATOM 0 H GLN A 45 0.407 20.298 -16.746 1.00 3.42 H new ATOM 0 HA GLN A 45 2.332 18.412 -17.905 1.00 3.55 H new ATOM 0 HB2 GLN A 45 2.328 21.424 -18.312 1.00 21.13 H new ATOM 0 HB3 GLN A 45 3.772 20.447 -18.493 1.00 21.13 H new ATOM 0 HG2 GLN A 45 1.234 20.329 -20.142 1.00 25.42 H new ATOM 0 HG3 GLN A 45 2.844 20.769 -20.677 1.00 25.42 H new ATOM 0 HE21 GLN A 45 1.009 18.693 -21.700 1.00 14.24 H new ATOM 0 HE22 GLN A 45 1.893 17.167 -21.585 1.00 14.24 H new ATOM 625 N VAL A 46 4.038 19.062 -16.091 1.00 0.15 N ATOM 626 CA VAL A 46 4.811 19.169 -14.859 1.00 34.44 C ATOM 627 C VAL A 46 4.910 20.618 -14.396 1.00 63.11 C ATOM 628 O VAL A 46 4.892 21.544 -15.208 1.00 33.30 O ATOM 629 CB VAL A 46 6.231 18.599 -15.036 1.00 34.14 C ATOM 630 CG1 VAL A 46 6.906 19.216 -16.251 1.00 2.24 C ATOM 631 CG2 VAL A 46 7.058 18.831 -13.780 1.00 54.01 C ATOM 0 H VAL A 46 4.500 18.539 -16.835 1.00 0.15 H new ATOM 0 HA VAL A 46 4.285 18.585 -14.104 1.00 34.44 H new ATOM 0 HB VAL A 46 6.155 17.524 -15.200 1.00 34.14 H new ATOM 0 HG11 VAL A 46 7.908 18.801 -16.360 1.00 2.24 H new ATOM 0 HG12 VAL A 46 6.322 18.993 -17.144 1.00 2.24 H new ATOM 0 HG13 VAL A 46 6.972 20.296 -16.121 1.00 2.24 H new ATOM 0 HG21 VAL A 46 8.058 18.422 -13.922 1.00 54.01 H new ATOM 0 HG22 VAL A 46 7.128 19.901 -13.583 1.00 54.01 H new ATOM 0 HG23 VAL A 46 6.581 18.337 -12.934 1.00 54.01 H new ATOM 641 N THR A 47 5.017 20.809 -13.085 1.00 32.13 N ATOM 642 CA THR A 47 5.119 22.146 -12.513 1.00 30.52 C ATOM 643 C THR A 47 6.460 22.787 -12.850 1.00 23.44 C ATOM 644 O THR A 47 7.516 22.227 -12.557 1.00 3.24 O ATOM 645 CB THR A 47 4.947 22.116 -10.982 1.00 54.54 C ATOM 646 OG1 THR A 47 5.070 23.440 -10.450 1.00 44.13 O ATOM 647 CG2 THR A 47 5.982 21.207 -10.338 1.00 72.44 C ATOM 0 H THR A 47 5.035 20.054 -12.399 1.00 32.13 H new ATOM 0 HA THR A 47 4.316 22.739 -12.950 1.00 30.52 H new ATOM 0 HB THR A 47 3.955 21.725 -10.758 1.00 54.54 H new ATOM 0 HG1 THR A 47 5.431 23.395 -9.540 1.00 44.13 H new ATOM 0 HG21 THR A 47 5.840 21.202 -9.257 1.00 72.44 H new ATOM 0 HG22 THR A 47 5.867 20.194 -10.723 1.00 72.44 H new ATOM 0 HG23 THR A 47 6.982 21.572 -10.571 1.00 72.44 H new ATOM 655 N GLU A 48 6.410 23.963 -13.466 1.00 45.42 N ATOM 656 CA GLU A 48 7.623 24.680 -13.843 1.00 25.25 C ATOM 657 C GLU A 48 7.733 25.999 -13.084 1.00 45.41 C ATOM 658 O GLU A 48 8.775 26.311 -12.508 1.00 4.44 O ATOM 659 CB GLU A 48 7.641 24.942 -15.350 1.00 15.32 C ATOM 660 CG GLU A 48 8.855 25.727 -15.817 1.00 72.24 C ATOM 661 CD GLU A 48 8.856 25.961 -17.315 1.00 44.55 C ATOM 662 OE1 GLU A 48 7.977 26.704 -17.800 1.00 11.21 O ATOM 663 OE2 GLU A 48 9.736 25.403 -18.003 1.00 61.22 O ATOM 0 H GLU A 48 5.543 24.440 -13.715 1.00 45.42 H new ATOM 0 HA GLU A 48 8.478 24.057 -13.581 1.00 25.25 H new ATOM 0 HB2 GLU A 48 7.611 23.988 -15.876 1.00 15.32 H new ATOM 0 HB3 GLU A 48 6.738 25.487 -15.626 1.00 15.32 H new ATOM 0 HG2 GLU A 48 8.882 26.688 -15.303 1.00 72.24 H new ATOM 0 HG3 GLU A 48 9.761 25.190 -15.536 1.00 72.24 H new ATOM 670 N SER A 49 6.651 26.771 -13.090 1.00 32.50 N ATOM 671 CA SER A 49 6.626 28.059 -12.407 1.00 21.42 C ATOM 672 C SER A 49 6.396 27.875 -10.910 1.00 10.22 C ATOM 673 O SER A 49 6.469 26.761 -10.391 1.00 70.03 O ATOM 674 CB SER A 49 5.533 28.952 -12.997 1.00 31.43 C ATOM 675 OG SER A 49 5.956 30.303 -13.059 1.00 23.50 O ATOM 0 H SER A 49 5.780 26.527 -13.561 1.00 32.50 H new ATOM 0 HA SER A 49 7.594 28.539 -12.552 1.00 21.42 H new ATOM 0 HB2 SER A 49 5.274 28.603 -13.996 1.00 31.43 H new ATOM 0 HB3 SER A 49 4.631 28.878 -12.389 1.00 31.43 H new ATOM 0 HG SER A 49 5.240 30.853 -13.441 1.00 23.50 H new ATOM 681 N ASP A 50 6.118 28.977 -10.221 1.00 71.33 N ATOM 682 CA ASP A 50 5.876 28.939 -8.784 1.00 12.03 C ATOM 683 C ASP A 50 4.390 28.761 -8.487 1.00 70.24 C ATOM 684 O ASP A 50 3.835 29.428 -7.614 1.00 4.20 O ATOM 685 CB ASP A 50 6.390 30.220 -8.125 1.00 31.13 C ATOM 686 CG ASP A 50 5.696 31.461 -8.651 1.00 60.33 C ATOM 687 OD1 ASP A 50 6.135 31.988 -9.695 1.00 22.25 O ATOM 688 OD2 ASP A 50 4.714 31.905 -8.020 1.00 4.23 O ATOM 0 H ASP A 50 6.055 29.907 -10.635 1.00 71.33 H new ATOM 0 HA ASP A 50 6.415 28.086 -8.372 1.00 12.03 H new ATOM 0 HB2 ASP A 50 6.243 30.155 -7.047 1.00 31.13 H new ATOM 0 HB3 ASP A 50 7.463 30.308 -8.296 1.00 31.13 H new ATOM 693 N LYS A 51 3.750 27.857 -9.221 1.00 71.22 N ATOM 694 CA LYS A 51 2.328 27.589 -9.038 1.00 42.51 C ATOM 695 C LYS A 51 1.997 26.142 -9.388 1.00 3.15 C ATOM 696 O LYS A 51 2.423 25.630 -10.423 1.00 51.01 O ATOM 697 CB LYS A 51 1.495 28.538 -9.903 1.00 75.51 C ATOM 698 CG LYS A 51 0.984 29.755 -9.152 1.00 52.24 C ATOM 699 CD LYS A 51 0.082 30.611 -10.026 1.00 32.11 C ATOM 700 CE LYS A 51 0.365 32.093 -9.836 1.00 44.12 C ATOM 701 NZ LYS A 51 -0.137 32.905 -10.979 1.00 61.33 N ATOM 0 H LYS A 51 4.194 27.297 -9.949 1.00 71.22 H new ATOM 0 HA LYS A 51 2.084 27.754 -7.989 1.00 42.51 H new ATOM 0 HB2 LYS A 51 2.098 28.870 -10.748 1.00 75.51 H new ATOM 0 HB3 LYS A 51 0.646 27.991 -10.313 1.00 75.51 H new ATOM 0 HG2 LYS A 51 0.436 29.434 -8.266 1.00 52.24 H new ATOM 0 HG3 LYS A 51 1.828 30.351 -8.805 1.00 52.24 H new ATOM 0 HD2 LYS A 51 0.227 30.343 -11.073 1.00 32.11 H new ATOM 0 HD3 LYS A 51 -0.961 30.405 -9.786 1.00 32.11 H new ATOM 0 HE2 LYS A 51 -0.103 32.437 -8.913 1.00 44.12 H new ATOM 0 HE3 LYS A 51 1.438 32.246 -9.725 1.00 44.12 H new ATOM 0 HZ1 LYS A 51 0.075 33.909 -10.811 1.00 61.33 H new ATOM 0 HZ2 LYS A 51 0.328 32.595 -11.856 1.00 61.33 H new ATOM 0 HZ3 LYS A 51 -1.165 32.779 -11.069 1.00 61.33 H new ATOM 715 N VAL A 52 1.234 25.488 -8.518 1.00 24.53 N ATOM 716 CA VAL A 52 0.844 24.100 -8.736 1.00 21.20 C ATOM 717 C VAL A 52 -0.655 23.912 -8.532 1.00 60.12 C ATOM 718 O VAL A 52 -1.362 24.846 -8.156 1.00 73.43 O ATOM 719 CB VAL A 52 1.603 23.148 -7.792 1.00 13.33 C ATOM 720 CG1 VAL A 52 3.047 22.989 -8.241 1.00 2.41 C ATOM 721 CG2 VAL A 52 1.534 23.654 -6.359 1.00 11.04 C ATOM 0 H VAL A 52 0.874 25.897 -7.656 1.00 24.53 H new ATOM 0 HA VAL A 52 1.101 23.858 -9.767 1.00 21.20 H new ATOM 0 HB VAL A 52 1.126 22.169 -7.831 1.00 13.33 H new ATOM 0 HG11 VAL A 52 3.567 22.313 -7.562 1.00 2.41 H new ATOM 0 HG12 VAL A 52 3.071 22.579 -9.250 1.00 2.41 H new ATOM 0 HG13 VAL A 52 3.540 23.961 -8.233 1.00 2.41 H new ATOM 0 HG21 VAL A 52 2.075 22.970 -5.705 1.00 11.04 H new ATOM 0 HG22 VAL A 52 1.985 24.645 -6.301 1.00 11.04 H new ATOM 0 HG23 VAL A 52 0.492 23.710 -6.043 1.00 11.04 H new ATOM 731 N ASN A 53 -1.133 22.697 -8.783 1.00 11.43 N ATOM 732 CA ASN A 53 -2.549 22.386 -8.627 1.00 14.32 C ATOM 733 C ASN A 53 -3.050 22.806 -7.248 1.00 41.10 C ATOM 734 O ASN A 53 -2.421 22.513 -6.231 1.00 30.11 O ATOM 735 CB ASN A 53 -2.790 20.890 -8.835 1.00 71.22 C ATOM 736 CG ASN A 53 -4.265 20.548 -8.922 1.00 11.11 C ATOM 737 OD1 ASN A 53 -5.125 21.407 -8.726 1.00 32.20 O ATOM 738 ND2 ASN A 53 -4.564 19.288 -9.216 1.00 50.25 N ATOM 0 H ASN A 53 -0.561 21.913 -9.095 1.00 11.43 H new ATOM 0 HA ASN A 53 -3.103 22.945 -9.381 1.00 14.32 H new ATOM 0 HB2 ASN A 53 -2.291 20.568 -9.749 1.00 71.22 H new ATOM 0 HB3 ASN A 53 -2.339 20.334 -8.013 1.00 71.22 H new ATOM 0 HD21 ASN A 53 -5.539 18.999 -9.287 1.00 50.25 H new ATOM 0 HD22 ASN A 53 -3.818 18.610 -9.371 1.00 50.25 H new ATOM 745 N LYS A 54 -4.186 23.494 -7.221 1.00 53.04 N ATOM 746 CA LYS A 54 -4.774 23.953 -5.969 1.00 11.43 C ATOM 747 C LYS A 54 -4.919 22.800 -4.980 1.00 44.45 C ATOM 748 O LYS A 54 -4.873 23.001 -3.766 1.00 72.43 O ATOM 749 CB LYS A 54 -6.141 24.592 -6.227 1.00 5.34 C ATOM 750 CG LYS A 54 -6.112 25.683 -7.283 1.00 12.31 C ATOM 751 CD LYS A 54 -7.327 25.611 -8.192 1.00 75.11 C ATOM 752 CE LYS A 54 -7.317 24.346 -9.036 1.00 74.24 C ATOM 753 NZ LYS A 54 -7.600 24.633 -10.470 1.00 0.31 N ATOM 0 H LYS A 54 -4.718 23.746 -8.054 1.00 53.04 H new ATOM 0 HA LYS A 54 -4.107 24.698 -5.536 1.00 11.43 H new ATOM 0 HB2 LYS A 54 -6.843 23.817 -6.536 1.00 5.34 H new ATOM 0 HB3 LYS A 54 -6.519 25.011 -5.294 1.00 5.34 H new ATOM 0 HG2 LYS A 54 -6.076 26.659 -6.799 1.00 12.31 H new ATOM 0 HG3 LYS A 54 -5.204 25.590 -7.879 1.00 12.31 H new ATOM 0 HD2 LYS A 54 -8.235 25.641 -7.590 1.00 75.11 H new ATOM 0 HD3 LYS A 54 -7.347 26.484 -8.844 1.00 75.11 H new ATOM 0 HE2 LYS A 54 -6.346 23.859 -8.948 1.00 74.24 H new ATOM 0 HE3 LYS A 54 -8.060 23.647 -8.652 1.00 74.24 H new ATOM 0 HZ1 LYS A 54 -7.584 23.745 -11.011 1.00 0.31 H new ATOM 0 HZ2 LYS A 54 -8.537 25.075 -10.557 1.00 0.31 H new ATOM 0 HZ3 LYS A 54 -6.876 25.279 -10.844 1.00 0.31 H new ATOM 767 N CYS A 55 -5.091 21.593 -5.508 1.00 54.10 N ATOM 768 CA CYS A 55 -5.241 20.408 -4.673 1.00 74.51 C ATOM 769 C CYS A 55 -3.961 20.127 -3.892 1.00 62.53 C ATOM 770 O CYS A 55 -2.863 20.515 -4.291 1.00 41.52 O ATOM 771 CB CYS A 55 -5.604 19.195 -5.533 1.00 1.10 C ATOM 772 SG CYS A 55 -7.326 18.633 -5.337 1.00 43.05 S ATOM 0 H CYS A 55 -5.130 21.410 -6.511 1.00 54.10 H new ATOM 0 HA CYS A 55 -6.046 20.595 -3.962 1.00 74.51 H new ATOM 0 HB2 CYS A 55 -5.430 19.441 -6.581 1.00 1.10 H new ATOM 0 HB3 CYS A 55 -4.934 18.372 -5.283 1.00 1.10 H new ATOM 777 N PRO A 56 -4.103 19.434 -2.752 1.00 42.23 N ATOM 778 CA PRO A 56 -2.969 19.085 -1.892 1.00 23.42 C ATOM 779 C PRO A 56 -2.059 18.039 -2.528 1.00 42.41 C ATOM 780 O PRO A 56 -2.401 17.411 -3.530 1.00 61.10 O ATOM 781 CB PRO A 56 -3.637 18.519 -0.636 1.00 71.34 C ATOM 782 CG PRO A 56 -4.960 18.018 -1.105 1.00 23.25 C ATOM 783 CD PRO A 56 -5.382 18.939 -2.216 1.00 24.32 C ATOM 0 HA PRO A 56 -2.325 19.943 -1.699 1.00 23.42 H new ATOM 0 HB2 PRO A 56 -3.042 17.717 -0.198 1.00 71.34 H new ATOM 0 HB3 PRO A 56 -3.753 19.285 0.131 1.00 71.34 H new ATOM 0 HG2 PRO A 56 -4.885 16.990 -1.458 1.00 23.25 H new ATOM 0 HG3 PRO A 56 -5.689 18.024 -0.295 1.00 23.25 H new ATOM 0 HD2 PRO A 56 -5.960 18.413 -2.976 1.00 24.32 H new ATOM 0 HD3 PRO A 56 -6.006 19.754 -1.848 1.00 24.32 H new ATOM 791 N PRO A 57 -0.872 17.847 -1.934 1.00 63.23 N ATOM 792 CA PRO A 57 0.111 16.877 -2.426 1.00 64.11 C ATOM 793 C PRO A 57 -0.339 15.436 -2.213 1.00 33.12 C ATOM 794 O PRO A 57 0.393 14.624 -1.648 1.00 34.03 O ATOM 795 CB PRO A 57 1.356 17.178 -1.588 1.00 23.54 C ATOM 796 CG PRO A 57 0.831 17.792 -0.336 1.00 50.03 C ATOM 797 CD PRO A 57 -0.398 18.561 -0.737 1.00 22.33 C ATOM 0 HA PRO A 57 0.271 16.968 -3.500 1.00 64.11 H new ATOM 0 HB2 PRO A 57 1.920 16.270 -1.377 1.00 23.54 H new ATOM 0 HB3 PRO A 57 2.030 17.858 -2.110 1.00 23.54 H new ATOM 0 HG2 PRO A 57 0.590 17.027 0.402 1.00 50.03 H new ATOM 0 HG3 PRO A 57 1.573 18.450 0.117 1.00 50.03 H new ATOM 0 HD2 PRO A 57 -1.148 18.561 0.054 1.00 22.33 H new ATOM 0 HD3 PRO A 57 -0.166 19.603 -0.956 1.00 22.33 H new ATOM 805 N ALA A 58 -1.548 15.125 -2.669 1.00 52.12 N ATOM 806 CA ALA A 58 -2.095 13.781 -2.530 1.00 41.13 C ATOM 807 C ALA A 58 -2.046 13.316 -1.079 1.00 21.30 C ATOM 808 O ALA A 58 -1.245 12.452 -0.722 1.00 12.53 O ATOM 809 CB ALA A 58 -1.339 12.809 -3.424 1.00 71.01 C ATOM 0 H ALA A 58 -2.167 15.786 -3.138 1.00 52.12 H new ATOM 0 HA ALA A 58 -3.139 13.806 -2.841 1.00 41.13 H new ATOM 0 HB1 ALA A 58 -1.758 11.809 -3.310 1.00 71.01 H new ATOM 0 HB2 ALA A 58 -1.430 13.125 -4.463 1.00 71.01 H new ATOM 0 HB3 ALA A 58 -0.287 12.796 -3.140 1.00 71.01 H new ATOM 815 N GLU A 59 -2.907 13.894 -0.247 1.00 41.14 N ATOM 816 CA GLU A 59 -2.959 13.538 1.166 1.00 54.53 C ATOM 817 C GLU A 59 -4.335 12.994 1.539 1.00 13.00 C ATOM 818 O GLU A 59 -5.360 13.521 1.107 1.00 61.42 O ATOM 819 CB GLU A 59 -2.627 14.754 2.033 1.00 15.51 C ATOM 820 CG GLU A 59 -2.401 14.415 3.497 1.00 75.42 C ATOM 821 CD GLU A 59 -1.905 15.600 4.301 1.00 11.31 C ATOM 822 OE1 GLU A 59 -1.556 16.630 3.687 1.00 12.22 O ATOM 823 OE2 GLU A 59 -1.866 15.498 5.545 1.00 21.22 O ATOM 0 H GLU A 59 -3.577 14.610 -0.527 1.00 41.14 H new ATOM 0 HA GLU A 59 -2.218 12.759 1.346 1.00 54.53 H new ATOM 0 HB2 GLU A 59 -1.733 15.238 1.639 1.00 15.51 H new ATOM 0 HB3 GLU A 59 -3.440 15.476 1.957 1.00 15.51 H new ATOM 0 HG2 GLU A 59 -3.333 14.052 3.930 1.00 75.42 H new ATOM 0 HG3 GLU A 59 -1.678 13.603 3.570 1.00 75.42 H new TER 830 GLU A 59