USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 818 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 78 TYR OH : rot 30:sc= 0 USER MOD Single : A 1 MET CE :methyl 159:sc= -0.147 (180deg=-0.695) USER MOD Single : A 1 MET N :NH3+ 163:sc= 1.08 (180deg=0.88) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -1.39! C(o=-1.4!,f=-12!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 32:sc= 0.986 USER MOD Single : A 22 HIS : no HE2:sc= 1.14 K(o=1.1,f=-5.6!) USER MOD Single : A 28 TYR OH : rot -140:sc= 1.02 USER MOD Single : A 29 LYS NZ :NH3+ 172:sc= 0.794 (180deg=0.338) USER MOD Single : A 30 MET CE :methyl -157:sc= -0.202 (180deg=-0.926) USER MOD Single : A 32 ASN : amide:sc= -0.116 K(o=-0.12,f=-1) USER MOD Single : A 33 ASN : amide:sc= -0.0343 K(o=-0.034,f=-0.98) USER MOD Single : A 35 LYS NZ :NH3+ 165:sc= -0.0381 (180deg=-0.298) USER MOD Single : A 37 MET CE :methyl 164:sc= -0.102 (180deg=-0.543) USER MOD Single : A 41 HIS :FLIP no HD1:sc= -0.726 F(o=-2,f=-0.73) USER MOD Single : A 42 THR OG1 : rot 124:sc= 0.567 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 179:sc= 0.568 (180deg=0.512) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 CYS SG : rot -62:sc= -0.77! USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=-0.0066) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.197 X(o=-0.2,f=-0.019) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 75:sc= 1.28 USER MOD Single : A 76 CYS SG : rot 50:sc= -5.96! USER MOD Single : A 77 SER OG : rot -16:sc= 1.28 USER MOD Single : A 80 SER OG : rot -52:sc= -1.54! USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 89 SER OG : rot -45:sc= 0.0287 USER MOD Single : A 91 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0815) USER MOD Single : A 95 HIS : no HD1:sc= -1.4 X(o=-1.4,f=-1.7) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -164:sc= 1.19 (180deg=0.272) USER MOD Single : A 101 SER OG : rot -139:sc= 0.143 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.277 7.964 -9.802 1.00 7.43 N ATOM 2 CA MET A 1 17.527 9.153 -8.956 1.00 7.42 C ATOM 3 C MET A 1 16.277 9.547 -8.159 1.00 7.11 C ATOM 4 O MET A 1 16.143 9.153 -7.001 1.00 7.15 O ATOM 5 CB MET A 1 18.055 10.322 -9.805 1.00 7.88 C ATOM 6 CG MET A 1 17.357 10.499 -11.144 1.00 8.36 C ATOM 7 SD MET A 1 18.076 11.817 -12.145 1.00 9.39 S ATOM 8 CE MET A 1 19.725 11.175 -12.429 1.00 9.95 C ATOM 0 H1 MET A 1 18.018 7.893 -10.528 1.00 7.43 H new ATOM 0 H2 MET A 1 17.288 7.109 -9.211 1.00 7.43 H new ATOM 0 H3 MET A 1 16.349 8.054 -10.262 1.00 7.43 H new ATOM 0 HA MET A 1 18.298 8.896 -8.229 1.00 7.42 H new ATOM 0 HB2 MET A 1 17.953 11.244 -9.233 1.00 7.88 H new ATOM 0 HB3 MET A 1 19.120 10.173 -9.982 1.00 7.88 H new ATOM 0 HG2 MET A 1 17.404 9.562 -11.699 1.00 8.36 H new ATOM 0 HG3 MET A 1 16.303 10.715 -10.972 1.00 8.36 H new ATOM 0 HE1 MET A 1 20.158 11.658 -13.305 1.00 9.95 H new ATOM 0 HE2 MET A 1 20.349 11.376 -11.558 1.00 9.95 H new ATOM 0 HE3 MET A 1 19.673 10.099 -12.597 1.00 9.95 H new ATOM 20 N ALA A 2 15.351 10.293 -8.764 1.00 7.11 N ATOM 21 CA ALA A 2 14.153 10.731 -8.045 1.00 7.16 C ATOM 22 C ALA A 2 12.923 9.947 -8.487 1.00 6.34 C ATOM 23 O ALA A 2 12.285 9.269 -7.684 1.00 6.43 O ATOM 24 CB ALA A 2 13.926 12.223 -8.245 1.00 7.97 C ATOM 0 H ALA A 2 15.405 10.603 -9.734 1.00 7.11 H new ATOM 0 HA ALA A 2 14.313 10.537 -6.984 1.00 7.16 H new ATOM 0 HB1 ALA A 2 13.031 12.531 -7.704 1.00 7.97 H new ATOM 0 HB2 ALA A 2 14.787 12.776 -7.868 1.00 7.97 H new ATOM 0 HB3 ALA A 2 13.797 12.432 -9.307 1.00 7.97 H new ATOM 30 N THR A 3 12.605 10.017 -9.769 1.00 5.73 N ATOM 31 CA THR A 3 11.488 9.264 -10.313 1.00 5.02 C ATOM 32 C THR A 3 11.987 7.918 -10.813 1.00 3.93 C ATOM 33 O THR A 3 12.091 7.669 -12.016 1.00 3.57 O ATOM 34 CB THR A 3 10.784 10.037 -11.447 1.00 5.39 C ATOM 35 OG1 THR A 3 10.463 11.361 -11.000 1.00 6.16 O ATOM 36 CG2 THR A 3 9.508 9.330 -11.882 1.00 5.37 C ATOM 0 H THR A 3 13.104 10.587 -10.452 1.00 5.73 H new ATOM 0 HA THR A 3 10.754 9.110 -9.522 1.00 5.02 H new ATOM 0 HB THR A 3 11.462 10.084 -12.299 1.00 5.39 H new ATOM 0 HG1 THR A 3 10.017 11.851 -11.722 1.00 6.16 H new ATOM 0 HG21 THR A 3 9.033 9.897 -12.682 1.00 5.37 H new ATOM 0 HG22 THR A 3 9.750 8.330 -12.241 1.00 5.37 H new ATOM 0 HG23 THR A 3 8.826 9.256 -11.035 1.00 5.37 H new ATOM 44 N GLU A 4 12.362 7.080 -9.867 1.00 3.59 N ATOM 45 CA GLU A 4 12.946 5.794 -10.172 1.00 2.75 C ATOM 46 C GLU A 4 11.938 4.687 -9.902 1.00 1.95 C ATOM 47 O GLU A 4 11.396 4.593 -8.798 1.00 2.29 O ATOM 48 CB GLU A 4 14.209 5.607 -9.333 1.00 3.20 C ATOM 49 CG GLU A 4 15.158 4.549 -9.860 1.00 4.01 C ATOM 50 CD GLU A 4 16.547 4.703 -9.284 1.00 4.54 C ATOM 51 OE1 GLU A 4 16.779 5.662 -8.522 1.00 5.13 O ATOM 52 OE2 GLU A 4 17.413 3.848 -9.574 1.00 4.73 O ATOM 0 H GLU A 4 12.270 7.273 -8.870 1.00 3.59 H new ATOM 0 HA GLU A 4 13.216 5.749 -11.227 1.00 2.75 H new ATOM 0 HB2 GLU A 4 14.738 6.558 -9.278 1.00 3.20 H new ATOM 0 HB3 GLU A 4 13.919 5.344 -8.316 1.00 3.20 H new ATOM 0 HG2 GLU A 4 14.771 3.560 -9.616 1.00 4.01 H new ATOM 0 HG3 GLU A 4 15.206 4.613 -10.947 1.00 4.01 H new ATOM 59 N PRO A 5 11.653 3.858 -10.916 1.00 1.30 N ATOM 60 CA PRO A 5 10.710 2.744 -10.787 1.00 1.21 C ATOM 61 C PRO A 5 11.199 1.693 -9.798 1.00 0.86 C ATOM 62 O PRO A 5 12.220 1.039 -10.026 1.00 0.92 O ATOM 63 CB PRO A 5 10.635 2.161 -12.202 1.00 1.76 C ATOM 64 CG PRO A 5 11.882 2.618 -12.878 1.00 1.77 C ATOM 65 CD PRO A 5 12.226 3.945 -12.267 1.00 1.57 C ATOM 0 HA PRO A 5 9.743 3.071 -10.404 1.00 1.21 H new ATOM 0 HB2 PRO A 5 10.576 1.073 -12.177 1.00 1.76 H new ATOM 0 HB3 PRO A 5 9.749 2.516 -12.728 1.00 1.76 H new ATOM 0 HG2 PRO A 5 12.690 1.901 -12.732 1.00 1.77 H new ATOM 0 HG3 PRO A 5 11.730 2.712 -13.953 1.00 1.77 H new ATOM 0 HD2 PRO A 5 13.304 4.106 -12.237 1.00 1.57 H new ATOM 0 HD3 PRO A 5 11.796 4.771 -12.833 1.00 1.57 H new ATOM 73 N PRO A 6 10.480 1.534 -8.678 1.00 0.66 N ATOM 74 CA PRO A 6 10.838 0.577 -7.632 1.00 0.47 C ATOM 75 C PRO A 6 10.566 -0.868 -8.045 1.00 0.48 C ATOM 76 O PRO A 6 9.774 -1.133 -8.953 1.00 0.62 O ATOM 77 CB PRO A 6 9.941 0.972 -6.447 1.00 0.59 C ATOM 78 CG PRO A 6 9.292 2.262 -6.833 1.00 0.87 C ATOM 79 CD PRO A 6 9.267 2.282 -8.331 1.00 0.84 C ATOM 0 HA PRO A 6 11.903 0.614 -7.404 1.00 0.47 H new ATOM 0 HB2 PRO A 6 9.194 0.203 -6.250 1.00 0.59 H new ATOM 0 HB3 PRO A 6 10.527 1.088 -5.535 1.00 0.59 H new ATOM 0 HG2 PRO A 6 8.283 2.328 -6.425 1.00 0.87 H new ATOM 0 HG3 PRO A 6 9.851 3.112 -6.441 1.00 0.87 H new ATOM 0 HD2 PRO A 6 8.370 1.807 -8.728 1.00 0.84 H new ATOM 0 HD3 PRO A 6 9.291 3.298 -8.724 1.00 0.84 H new ATOM 87 N LYS A 7 11.216 -1.797 -7.363 1.00 0.45 N ATOM 88 CA LYS A 7 11.035 -3.212 -7.626 1.00 0.52 C ATOM 89 C LYS A 7 10.565 -3.881 -6.355 1.00 0.42 C ATOM 90 O LYS A 7 11.360 -4.365 -5.551 1.00 0.42 O ATOM 91 CB LYS A 7 12.327 -3.864 -8.129 1.00 0.65 C ATOM 92 CG LYS A 7 12.695 -3.485 -9.558 1.00 1.24 C ATOM 93 CD LYS A 7 14.050 -2.798 -9.623 1.00 1.37 C ATOM 94 CE LYS A 7 14.014 -1.440 -8.947 1.00 1.70 C ATOM 95 NZ LYS A 7 15.367 -0.842 -8.804 1.00 2.49 N ATOM 0 H LYS A 7 11.880 -1.592 -6.616 1.00 0.45 H new ATOM 0 HA LYS A 7 10.290 -3.334 -8.413 1.00 0.52 H new ATOM 0 HB2 LYS A 7 13.146 -3.583 -7.467 1.00 0.65 H new ATOM 0 HB3 LYS A 7 12.224 -4.947 -8.066 1.00 0.65 H new ATOM 0 HG2 LYS A 7 12.710 -4.380 -10.180 1.00 1.24 H new ATOM 0 HG3 LYS A 7 11.931 -2.824 -9.968 1.00 1.24 H new ATOM 0 HD2 LYS A 7 14.801 -3.425 -9.143 1.00 1.37 H new ATOM 0 HD3 LYS A 7 14.351 -2.680 -10.664 1.00 1.37 H new ATOM 0 HE2 LYS A 7 13.381 -0.766 -9.525 1.00 1.70 H new ATOM 0 HE3 LYS A 7 13.558 -1.539 -7.962 1.00 1.70 H new ATOM 0 HZ1 LYS A 7 15.290 0.084 -8.337 1.00 2.49 H new ATOM 0 HZ2 LYS A 7 15.965 -1.470 -8.230 1.00 2.49 H new ATOM 0 HZ3 LYS A 7 15.794 -0.721 -9.744 1.00 2.49 H new ATOM 109 N ILE A 8 9.262 -3.872 -6.171 1.00 0.41 N ATOM 110 CA ILE A 8 8.669 -4.318 -4.930 1.00 0.34 C ATOM 111 C ILE A 8 8.463 -5.828 -4.935 1.00 0.36 C ATOM 112 O ILE A 8 7.911 -6.394 -5.882 1.00 0.48 O ATOM 113 CB ILE A 8 7.329 -3.603 -4.670 1.00 0.45 C ATOM 114 CG1 ILE A 8 7.480 -2.094 -4.903 1.00 0.72 C ATOM 115 CG2 ILE A 8 6.857 -3.876 -3.249 1.00 0.36 C ATOM 116 CD1 ILE A 8 8.399 -1.403 -3.917 1.00 0.39 C ATOM 0 H ILE A 8 8.590 -3.558 -6.871 1.00 0.41 H new ATOM 0 HA ILE A 8 9.359 -4.064 -4.126 1.00 0.34 H new ATOM 0 HB ILE A 8 6.583 -3.989 -5.365 1.00 0.45 H new ATOM 0 HG12 ILE A 8 7.858 -1.929 -5.912 1.00 0.72 H new ATOM 0 HG13 ILE A 8 6.495 -1.629 -4.852 1.00 0.72 H new ATOM 0 HG21 ILE A 8 5.909 -3.366 -3.076 1.00 0.36 H new ATOM 0 HG22 ILE A 8 6.722 -4.949 -3.110 1.00 0.36 H new ATOM 0 HG23 ILE A 8 7.601 -3.509 -2.542 1.00 0.36 H new ATOM 0 HD11 ILE A 8 8.451 -0.340 -4.151 1.00 0.39 H new ATOM 0 HD12 ILE A 8 8.012 -1.533 -2.906 1.00 0.39 H new ATOM 0 HD13 ILE A 8 9.396 -1.838 -3.983 1.00 0.39 H new ATOM 128 N VAL A 9 8.920 -6.459 -3.868 1.00 0.31 N ATOM 129 CA VAL A 9 8.875 -7.903 -3.714 1.00 0.36 C ATOM 130 C VAL A 9 7.740 -8.289 -2.782 1.00 0.34 C ATOM 131 O VAL A 9 7.474 -7.592 -1.807 1.00 0.47 O ATOM 132 CB VAL A 9 10.204 -8.419 -3.123 1.00 0.41 C ATOM 133 CG1 VAL A 9 10.239 -9.937 -3.050 1.00 0.89 C ATOM 134 CG2 VAL A 9 11.370 -7.890 -3.931 1.00 0.86 C ATOM 0 H VAL A 9 9.339 -5.976 -3.073 1.00 0.31 H new ATOM 0 HA VAL A 9 8.716 -8.350 -4.695 1.00 0.36 H new ATOM 0 HB VAL A 9 10.284 -8.049 -2.101 1.00 0.41 H new ATOM 0 HG11 VAL A 9 11.191 -10.259 -2.628 1.00 0.89 H new ATOM 0 HG12 VAL A 9 9.424 -10.290 -2.418 1.00 0.89 H new ATOM 0 HG13 VAL A 9 10.127 -10.352 -4.052 1.00 0.89 H new ATOM 0 HG21 VAL A 9 12.304 -8.259 -3.507 1.00 0.86 H new ATOM 0 HG22 VAL A 9 11.281 -8.229 -4.963 1.00 0.86 H new ATOM 0 HG23 VAL A 9 11.366 -6.800 -3.906 1.00 0.86 H new ATOM 144 N TRP A 10 7.075 -9.388 -3.070 1.00 0.33 N ATOM 145 CA TRP A 10 6.010 -9.851 -2.209 1.00 0.31 C ATOM 146 C TRP A 10 6.514 -10.925 -1.258 1.00 0.34 C ATOM 147 O TRP A 10 7.000 -11.979 -1.674 1.00 0.42 O ATOM 148 CB TRP A 10 4.826 -10.368 -3.023 1.00 0.38 C ATOM 149 CG TRP A 10 3.710 -10.904 -2.163 1.00 0.41 C ATOM 150 CD1 TRP A 10 3.378 -10.484 -0.905 1.00 0.40 C ATOM 151 CD2 TRP A 10 2.780 -11.941 -2.496 1.00 0.50 C ATOM 152 NE1 TRP A 10 2.315 -11.207 -0.427 1.00 0.46 N ATOM 153 CE2 TRP A 10 1.923 -12.104 -1.389 1.00 0.52 C ATOM 154 CE3 TRP A 10 2.585 -12.749 -3.620 1.00 0.60 C ATOM 155 CZ2 TRP A 10 0.896 -13.044 -1.375 1.00 0.62 C ATOM 156 CZ3 TRP A 10 1.564 -13.680 -3.603 1.00 0.71 C ATOM 157 CH2 TRP A 10 0.730 -13.819 -2.489 1.00 0.72 C ATOM 0 H TRP A 10 7.252 -9.973 -3.887 1.00 0.33 H new ATOM 0 HA TRP A 10 5.667 -9.001 -1.619 1.00 0.31 H new ATOM 0 HB2 TRP A 10 4.441 -9.561 -3.647 1.00 0.38 H new ATOM 0 HB3 TRP A 10 5.170 -11.155 -3.695 1.00 0.38 H new ATOM 0 HD1 TRP A 10 3.881 -9.696 -0.365 1.00 0.40 H new ATOM 0 HE1 TRP A 10 1.886 -11.096 0.492 1.00 0.46 H new ATOM 0 HE3 TRP A 10 3.221 -12.647 -4.487 1.00 0.60 H new ATOM 0 HZ2 TRP A 10 0.253 -13.157 -0.515 1.00 0.62 H new ATOM 0 HZ3 TRP A 10 1.407 -14.311 -4.465 1.00 0.71 H new ATOM 0 HH2 TRP A 10 -0.061 -14.554 -2.509 1.00 0.72 H new ATOM 168 N ASN A 11 6.404 -10.625 0.018 1.00 0.34 N ATOM 169 CA ASN A 11 6.722 -11.554 1.080 1.00 0.43 C ATOM 170 C ASN A 11 5.432 -12.211 1.546 1.00 0.45 C ATOM 171 O ASN A 11 4.730 -11.669 2.399 1.00 0.46 O ATOM 172 CB ASN A 11 7.377 -10.788 2.227 1.00 0.47 C ATOM 173 CG ASN A 11 7.938 -11.674 3.320 1.00 0.63 C ATOM 174 OD1 ASN A 11 7.397 -12.733 3.639 1.00 1.39 O ATOM 175 ND2 ASN A 11 9.037 -11.231 3.899 1.00 1.08 N ATOM 0 H ASN A 11 6.086 -9.715 0.352 1.00 0.34 H new ATOM 0 HA ASN A 11 7.412 -12.322 0.731 1.00 0.43 H new ATOM 0 HB2 ASN A 11 8.181 -10.171 1.826 1.00 0.47 H new ATOM 0 HB3 ASN A 11 6.643 -10.111 2.664 1.00 0.47 H new ATOM 0 HD21 ASN A 11 9.474 -11.772 4.645 1.00 1.08 H new ATOM 0 HD22 ASN A 11 9.450 -10.347 3.601 1.00 1.08 H new ATOM 182 N GLU A 12 5.096 -13.351 0.958 1.00 0.53 N ATOM 183 CA GLU A 12 3.815 -14.000 1.232 1.00 0.59 C ATOM 184 C GLU A 12 3.787 -14.621 2.624 1.00 0.62 C ATOM 185 O GLU A 12 2.714 -14.846 3.189 1.00 0.65 O ATOM 186 CB GLU A 12 3.502 -15.057 0.171 1.00 0.76 C ATOM 187 CG GLU A 12 4.490 -16.208 0.117 1.00 1.09 C ATOM 188 CD GLU A 12 4.211 -17.144 -1.039 1.00 1.43 C ATOM 189 OE1 GLU A 12 3.123 -17.755 -1.063 1.00 1.71 O ATOM 190 OE2 GLU A 12 5.086 -17.292 -1.921 1.00 1.92 O ATOM 0 H GLU A 12 5.688 -13.846 0.291 1.00 0.53 H new ATOM 0 HA GLU A 12 3.045 -13.229 1.194 1.00 0.59 H new ATOM 0 HB2 GLU A 12 2.506 -15.458 0.359 1.00 0.76 H new ATOM 0 HB3 GLU A 12 3.472 -14.575 -0.806 1.00 0.76 H new ATOM 0 HG2 GLU A 12 5.502 -15.813 0.027 1.00 1.09 H new ATOM 0 HG3 GLU A 12 4.448 -16.766 1.053 1.00 1.09 H new ATOM 197 N GLY A 13 4.965 -14.892 3.172 1.00 0.65 N ATOM 198 CA GLY A 13 5.059 -15.423 4.518 1.00 0.73 C ATOM 199 C GLY A 13 4.709 -14.384 5.562 1.00 0.70 C ATOM 200 O GLY A 13 4.113 -14.698 6.592 1.00 0.80 O ATOM 0 H GLY A 13 5.861 -14.753 2.705 1.00 0.65 H new ATOM 0 HA2 GLY A 13 4.390 -16.278 4.618 1.00 0.73 H new ATOM 0 HA3 GLY A 13 6.071 -15.788 4.694 1.00 0.73 H new ATOM 204 N LYS A 14 5.086 -13.140 5.295 1.00 0.59 N ATOM 205 CA LYS A 14 4.784 -12.033 6.195 1.00 0.59 C ATOM 206 C LYS A 14 3.549 -11.269 5.727 1.00 0.51 C ATOM 207 O LYS A 14 3.071 -10.369 6.422 1.00 0.55 O ATOM 208 CB LYS A 14 5.978 -11.078 6.284 1.00 0.61 C ATOM 209 CG LYS A 14 6.792 -11.208 7.565 1.00 0.86 C ATOM 210 CD LYS A 14 7.361 -12.606 7.758 1.00 1.21 C ATOM 211 CE LYS A 14 8.398 -12.939 6.698 1.00 1.26 C ATOM 212 NZ LYS A 14 9.036 -14.262 6.928 1.00 1.79 N ATOM 0 H LYS A 14 5.604 -12.871 4.458 1.00 0.59 H new ATOM 0 HA LYS A 14 4.582 -12.449 7.182 1.00 0.59 H new ATOM 0 HB2 LYS A 14 6.634 -11.255 5.431 1.00 0.61 H new ATOM 0 HB3 LYS A 14 5.616 -10.053 6.200 1.00 0.61 H new ATOM 0 HG2 LYS A 14 7.609 -10.487 7.547 1.00 0.86 H new ATOM 0 HG3 LYS A 14 6.163 -10.955 8.418 1.00 0.86 H new ATOM 0 HD2 LYS A 14 7.813 -12.682 8.747 1.00 1.21 H new ATOM 0 HD3 LYS A 14 6.553 -13.337 7.720 1.00 1.21 H new ATOM 0 HE2 LYS A 14 7.925 -12.932 5.716 1.00 1.26 H new ATOM 0 HE3 LYS A 14 9.165 -12.165 6.688 1.00 1.26 H new ATOM 0 HZ1 LYS A 14 9.735 -14.445 6.180 1.00 1.79 H new ATOM 0 HZ2 LYS A 14 9.511 -14.262 7.853 1.00 1.79 H new ATOM 0 HZ3 LYS A 14 8.309 -15.006 6.911 1.00 1.79 H new ATOM 226 N ARG A 15 3.043 -11.642 4.548 1.00 0.45 N ATOM 227 CA ARG A 15 1.891 -10.973 3.934 1.00 0.44 C ATOM 228 C ARG A 15 2.205 -9.504 3.678 1.00 0.37 C ATOM 229 O ARG A 15 1.393 -8.626 3.966 1.00 0.52 O ATOM 230 CB ARG A 15 0.660 -11.081 4.834 1.00 0.56 C ATOM 231 CG ARG A 15 0.233 -12.505 5.137 1.00 0.66 C ATOM 232 CD ARG A 15 -0.798 -12.533 6.250 1.00 0.87 C ATOM 233 NE ARG A 15 -0.287 -11.903 7.469 1.00 1.83 N ATOM 234 CZ ARG A 15 -0.390 -12.438 8.683 1.00 2.36 C ATOM 235 NH1 ARG A 15 -0.999 -13.606 8.850 1.00 2.32 N ATOM 236 NH2 ARG A 15 0.128 -11.808 9.732 1.00 3.42 N ATOM 0 H ARG A 15 3.418 -12.412 3.994 1.00 0.45 H new ATOM 0 HA ARG A 15 1.681 -11.467 2.986 1.00 0.44 H new ATOM 0 HB2 ARG A 15 0.865 -10.567 5.773 1.00 0.56 H new ATOM 0 HB3 ARG A 15 -0.170 -10.558 4.359 1.00 0.56 H new ATOM 0 HG2 ARG A 15 -0.182 -12.964 4.239 1.00 0.66 H new ATOM 0 HG3 ARG A 15 1.102 -13.097 5.425 1.00 0.66 H new ATOM 0 HD2 ARG A 15 -1.701 -12.018 5.924 1.00 0.87 H new ATOM 0 HD3 ARG A 15 -1.078 -13.565 6.462 1.00 0.87 H new ATOM 0 HE ARG A 15 0.176 -10.998 7.382 1.00 1.83 H new ATOM 0 HH11 ARG A 15 -1.390 -14.097 8.046 1.00 2.32 H new ATOM 0 HH12 ARG A 15 -1.076 -14.012 9.782 1.00 2.32 H new ATOM 0 HH21 ARG A 15 0.604 -10.915 9.606 1.00 3.42 H new ATOM 0 HH22 ARG A 15 0.049 -12.218 10.663 1.00 3.42 H new ATOM 250 N ARG A 16 3.376 -9.234 3.126 1.00 0.27 N ATOM 251 CA ARG A 16 3.811 -7.860 2.958 1.00 0.24 C ATOM 252 C ARG A 16 4.578 -7.674 1.654 1.00 0.23 C ATOM 253 O ARG A 16 5.097 -8.630 1.092 1.00 0.29 O ATOM 254 CB ARG A 16 4.680 -7.448 4.150 1.00 0.33 C ATOM 255 CG ARG A 16 6.105 -7.972 4.103 1.00 0.55 C ATOM 256 CD ARG A 16 6.925 -7.468 5.284 1.00 0.68 C ATOM 257 NE ARG A 16 8.344 -7.779 5.128 1.00 0.91 N ATOM 258 CZ ARG A 16 9.272 -7.575 6.063 1.00 1.02 C ATOM 259 NH1 ARG A 16 8.939 -7.111 7.262 1.00 1.02 N ATOM 260 NH2 ARG A 16 10.541 -7.858 5.795 1.00 1.86 N ATOM 0 H ARG A 16 4.034 -9.938 2.791 1.00 0.27 H new ATOM 0 HA ARG A 16 2.928 -7.223 2.914 1.00 0.24 H new ATOM 0 HB2 ARG A 16 4.708 -6.360 4.204 1.00 0.33 H new ATOM 0 HB3 ARG A 16 4.207 -7.800 5.067 1.00 0.33 H new ATOM 0 HG2 ARG A 16 6.093 -9.062 4.106 1.00 0.55 H new ATOM 0 HG3 ARG A 16 6.578 -7.661 3.171 1.00 0.55 H new ATOM 0 HD2 ARG A 16 6.797 -6.390 5.382 1.00 0.68 H new ATOM 0 HD3 ARG A 16 6.553 -7.918 6.204 1.00 0.68 H new ATOM 0 HE ARG A 16 8.646 -8.181 4.240 1.00 0.91 H new ATOM 0 HH11 ARG A 16 7.963 -6.906 7.477 1.00 1.02 H new ATOM 0 HH12 ARG A 16 9.659 -6.959 7.968 1.00 1.02 H new ATOM 0 HH21 ARG A 16 10.799 -8.228 4.880 1.00 1.86 H new ATOM 0 HH22 ARG A 16 11.258 -7.705 6.504 1.00 1.86 H new ATOM 274 N PHE A 17 4.628 -6.442 1.176 1.00 0.23 N ATOM 275 CA PHE A 17 5.441 -6.100 0.019 1.00 0.24 C ATOM 276 C PHE A 17 6.659 -5.317 0.484 1.00 0.30 C ATOM 277 O PHE A 17 6.530 -4.377 1.260 1.00 0.55 O ATOM 278 CB PHE A 17 4.663 -5.255 -0.995 1.00 0.28 C ATOM 279 CG PHE A 17 3.428 -5.903 -1.547 1.00 0.29 C ATOM 280 CD1 PHE A 17 3.505 -7.093 -2.247 1.00 0.33 C ATOM 281 CD2 PHE A 17 2.187 -5.312 -1.370 1.00 0.34 C ATOM 282 CE1 PHE A 17 2.368 -7.685 -2.763 1.00 0.39 C ATOM 283 CE2 PHE A 17 1.048 -5.899 -1.884 1.00 0.40 C ATOM 284 CZ PHE A 17 1.138 -7.087 -2.581 1.00 0.41 C ATOM 0 H PHE A 17 4.112 -5.657 1.574 1.00 0.23 H new ATOM 0 HA PHE A 17 5.737 -7.027 -0.471 1.00 0.24 H new ATOM 0 HB2 PHE A 17 4.381 -4.315 -0.521 1.00 0.28 H new ATOM 0 HB3 PHE A 17 5.326 -5.007 -1.824 1.00 0.28 H new ATOM 0 HD1 PHE A 17 4.465 -7.565 -2.392 1.00 0.33 H new ATOM 0 HD2 PHE A 17 2.110 -4.383 -0.825 1.00 0.34 H new ATOM 0 HE1 PHE A 17 2.442 -8.614 -3.308 1.00 0.39 H new ATOM 0 HE2 PHE A 17 0.086 -5.429 -1.741 1.00 0.40 H new ATOM 0 HZ PHE A 17 0.248 -7.547 -2.983 1.00 0.41 H new ATOM 294 N GLU A 18 7.829 -5.705 0.021 1.00 0.22 N ATOM 295 CA GLU A 18 9.057 -5.029 0.398 1.00 0.25 C ATOM 296 C GLU A 18 9.730 -4.435 -0.818 1.00 0.29 C ATOM 297 O GLU A 18 9.824 -5.073 -1.858 1.00 0.39 O ATOM 298 CB GLU A 18 10.013 -5.984 1.122 1.00 0.34 C ATOM 299 CG GLU A 18 9.569 -7.437 1.115 1.00 1.08 C ATOM 300 CD GLU A 18 10.337 -8.278 2.113 1.00 0.96 C ATOM 301 OE1 GLU A 18 11.562 -8.441 1.945 1.00 0.85 O ATOM 302 OE2 GLU A 18 9.725 -8.760 3.087 1.00 1.16 O ATOM 0 H GLU A 18 7.958 -6.488 -0.620 1.00 0.22 H new ATOM 0 HA GLU A 18 8.799 -4.223 1.084 1.00 0.25 H new ATOM 0 HB2 GLU A 18 10.997 -5.915 0.659 1.00 0.34 H new ATOM 0 HB3 GLU A 18 10.123 -5.655 2.155 1.00 0.34 H new ATOM 0 HG2 GLU A 18 8.504 -7.490 1.342 1.00 1.08 H new ATOM 0 HG3 GLU A 18 9.703 -7.851 0.115 1.00 1.08 H new ATOM 309 N THR A 19 10.184 -3.203 -0.678 1.00 0.25 N ATOM 310 CA THR A 19 10.917 -2.530 -1.734 1.00 0.29 C ATOM 311 C THR A 19 12.202 -3.302 -2.034 1.00 0.35 C ATOM 312 O THR A 19 12.597 -4.185 -1.268 1.00 0.37 O ATOM 313 CB THR A 19 11.246 -1.071 -1.310 1.00 0.33 C ATOM 314 OG1 THR A 19 11.955 -0.359 -2.335 1.00 0.46 O ATOM 315 CG2 THR A 19 12.083 -1.057 -0.049 1.00 0.37 C ATOM 0 H THR A 19 10.056 -2.644 0.165 1.00 0.25 H new ATOM 0 HA THR A 19 10.304 -2.496 -2.635 1.00 0.29 H new ATOM 0 HB THR A 19 10.291 -0.576 -1.134 1.00 0.33 H new ATOM 0 HG1 THR A 19 11.667 -0.680 -3.215 1.00 0.46 H new ATOM 0 HG21 THR A 19 12.302 -0.027 0.231 1.00 0.37 H new ATOM 0 HG22 THR A 19 11.534 -1.543 0.758 1.00 0.37 H new ATOM 0 HG23 THR A 19 13.016 -1.591 -0.226 1.00 0.37 H new ATOM 323 N GLU A 20 12.853 -2.959 -3.132 1.00 0.43 N ATOM 324 CA GLU A 20 14.123 -3.563 -3.513 1.00 0.53 C ATOM 325 C GLU A 20 15.193 -3.267 -2.468 1.00 0.56 C ATOM 326 O GLU A 20 16.302 -3.800 -2.514 1.00 0.68 O ATOM 327 CB GLU A 20 14.559 -3.038 -4.885 1.00 0.62 C ATOM 328 CG GLU A 20 14.729 -1.526 -4.939 1.00 0.77 C ATOM 329 CD GLU A 20 13.468 -0.805 -5.376 1.00 1.31 C ATOM 330 OE1 GLU A 20 12.383 -1.087 -4.826 1.00 1.90 O ATOM 331 OE2 GLU A 20 13.555 0.026 -6.295 1.00 1.83 O ATOM 0 H GLU A 20 12.517 -2.253 -3.787 1.00 0.43 H new ATOM 0 HA GLU A 20 13.993 -4.644 -3.572 1.00 0.53 H new ATOM 0 HB2 GLU A 20 15.502 -3.510 -5.162 1.00 0.62 H new ATOM 0 HB3 GLU A 20 13.822 -3.338 -5.630 1.00 0.62 H new ATOM 0 HG2 GLU A 20 15.026 -1.164 -3.955 1.00 0.77 H new ATOM 0 HG3 GLU A 20 15.538 -1.281 -5.627 1.00 0.77 H new ATOM 338 N ASP A 21 14.833 -2.421 -1.519 1.00 0.52 N ATOM 339 CA ASP A 21 15.722 -2.038 -0.439 1.00 0.60 C ATOM 340 C ASP A 21 15.430 -2.894 0.788 1.00 0.54 C ATOM 341 O ASP A 21 16.274 -3.060 1.665 1.00 0.59 O ATOM 342 CB ASP A 21 15.538 -0.540 -0.162 1.00 0.67 C ATOM 343 CG ASP A 21 16.367 0.000 0.980 1.00 0.97 C ATOM 344 OD1 ASP A 21 17.562 -0.341 1.083 1.00 1.39 O ATOM 345 OD2 ASP A 21 15.824 0.823 1.748 1.00 1.31 O ATOM 0 H ASP A 21 13.914 -1.980 -1.476 1.00 0.52 H new ATOM 0 HA ASP A 21 16.764 -2.208 -0.710 1.00 0.60 H new ATOM 0 HB2 ASP A 21 15.786 0.015 -1.067 1.00 0.67 H new ATOM 0 HB3 ASP A 21 14.486 -0.351 0.050 1.00 0.67 H new ATOM 350 N HIS A 22 14.218 -3.459 0.812 1.00 0.45 N ATOM 351 CA HIS A 22 13.760 -4.385 1.858 1.00 0.45 C ATOM 352 C HIS A 22 13.689 -3.738 3.245 1.00 0.44 C ATOM 353 O HIS A 22 13.211 -4.354 4.198 1.00 0.51 O ATOM 354 CB HIS A 22 14.627 -5.651 1.893 1.00 0.57 C ATOM 355 CG HIS A 22 14.482 -6.511 0.670 1.00 0.64 C ATOM 356 ND1 HIS A 22 13.568 -7.539 0.574 1.00 0.65 N ATOM 357 CD2 HIS A 22 15.140 -6.488 -0.516 1.00 0.74 C ATOM 358 CE1 HIS A 22 13.671 -8.111 -0.610 1.00 0.76 C ATOM 359 NE2 HIS A 22 14.614 -7.491 -1.290 1.00 0.82 N ATOM 0 H HIS A 22 13.515 -3.284 0.094 1.00 0.45 H new ATOM 0 HA HIS A 22 12.740 -4.664 1.592 1.00 0.45 H new ATOM 0 HB2 HIS A 22 15.672 -5.363 2.003 1.00 0.57 H new ATOM 0 HB3 HIS A 22 14.364 -6.238 2.773 1.00 0.57 H new ATOM 0 HD1 HIS A 22 12.913 -7.815 1.306 1.00 0.65 H new ATOM 0 HD2 HIS A 22 15.930 -5.808 -0.798 1.00 0.74 H new ATOM 0 HE1 HIS A 22 13.083 -8.945 -0.962 1.00 0.76 H new ATOM 368 N GLU A 23 14.161 -2.505 3.354 1.00 0.47 N ATOM 369 CA GLU A 23 14.044 -1.746 4.588 1.00 0.52 C ATOM 370 C GLU A 23 12.680 -1.077 4.648 1.00 0.40 C ATOM 371 O GLU A 23 12.164 -0.772 5.723 1.00 0.49 O ATOM 372 CB GLU A 23 15.152 -0.699 4.667 1.00 0.69 C ATOM 373 CG GLU A 23 16.548 -1.292 4.609 1.00 0.84 C ATOM 374 CD GLU A 23 16.846 -2.178 5.804 1.00 1.51 C ATOM 375 OE1 GLU A 23 16.509 -3.379 5.769 1.00 2.28 O ATOM 376 OE2 GLU A 23 17.408 -1.674 6.799 1.00 1.72 O ATOM 0 H GLU A 23 14.631 -2.007 2.598 1.00 0.47 H new ATOM 0 HA GLU A 23 14.146 -2.422 5.437 1.00 0.52 H new ATOM 0 HB2 GLU A 23 15.032 0.009 3.847 1.00 0.69 H new ATOM 0 HB3 GLU A 23 15.043 -0.135 5.593 1.00 0.69 H new ATOM 0 HG2 GLU A 23 16.656 -1.873 3.693 1.00 0.84 H new ATOM 0 HG3 GLU A 23 17.281 -0.487 4.564 1.00 0.84 H new ATOM 383 N ALA A 24 12.113 -0.847 3.472 1.00 0.29 N ATOM 384 CA ALA A 24 10.772 -0.300 3.353 1.00 0.22 C ATOM 385 C ALA A 24 9.807 -1.397 2.944 1.00 0.17 C ATOM 386 O ALA A 24 10.121 -2.220 2.077 1.00 0.19 O ATOM 387 CB ALA A 24 10.741 0.839 2.344 1.00 0.26 C ATOM 0 H ALA A 24 12.568 -1.034 2.579 1.00 0.29 H new ATOM 0 HA ALA A 24 10.469 0.099 4.321 1.00 0.22 H new ATOM 0 HB1 ALA A 24 9.727 1.233 2.271 1.00 0.26 H new ATOM 0 HB2 ALA A 24 11.416 1.631 2.669 1.00 0.26 H new ATOM 0 HB3 ALA A 24 11.058 0.470 1.369 1.00 0.26 H new ATOM 393 N PHE A 25 8.641 -1.419 3.560 1.00 0.14 N ATOM 394 CA PHE A 25 7.675 -2.465 3.295 1.00 0.15 C ATOM 395 C PHE A 25 6.257 -2.011 3.588 1.00 0.15 C ATOM 396 O PHE A 25 6.032 -1.014 4.280 1.00 0.17 O ATOM 397 CB PHE A 25 7.991 -3.723 4.111 1.00 0.23 C ATOM 398 CG PHE A 25 8.141 -3.478 5.587 1.00 0.30 C ATOM 399 CD1 PHE A 25 7.037 -3.501 6.425 1.00 0.39 C ATOM 400 CD2 PHE A 25 9.389 -3.233 6.135 1.00 0.37 C ATOM 401 CE1 PHE A 25 7.176 -3.281 7.782 1.00 0.49 C ATOM 402 CE2 PHE A 25 9.534 -3.011 7.489 1.00 0.47 C ATOM 403 CZ PHE A 25 8.427 -3.036 8.314 1.00 0.52 C ATOM 0 H PHE A 25 8.341 -0.726 4.246 1.00 0.14 H new ATOM 0 HA PHE A 25 7.747 -2.699 2.233 1.00 0.15 H new ATOM 0 HB2 PHE A 25 7.197 -4.453 3.954 1.00 0.23 H new ATOM 0 HB3 PHE A 25 8.912 -4.167 3.732 1.00 0.23 H new ATOM 0 HD1 PHE A 25 6.057 -3.693 6.013 1.00 0.39 H new ATOM 0 HD2 PHE A 25 10.259 -3.216 5.495 1.00 0.37 H new ATOM 0 HE1 PHE A 25 6.309 -3.301 8.425 1.00 0.49 H new ATOM 0 HE2 PHE A 25 10.513 -2.818 7.903 1.00 0.47 H new ATOM 0 HZ PHE A 25 8.539 -2.864 9.374 1.00 0.52 H new ATOM 413 N ILE A 26 5.316 -2.755 3.040 1.00 0.20 N ATOM 414 CA ILE A 26 3.909 -2.545 3.285 1.00 0.23 C ATOM 415 C ILE A 26 3.296 -3.865 3.737 1.00 0.23 C ATOM 416 O ILE A 26 3.481 -4.892 3.086 1.00 0.26 O ATOM 417 CB ILE A 26 3.211 -1.986 2.007 1.00 0.31 C ATOM 418 CG1 ILE A 26 2.381 -0.763 2.362 1.00 0.41 C ATOM 419 CG2 ILE A 26 2.333 -3.021 1.304 1.00 0.39 C ATOM 420 CD1 ILE A 26 1.066 -1.096 3.022 1.00 0.73 C ATOM 0 H ILE A 26 5.513 -3.529 2.406 1.00 0.20 H new ATOM 0 HA ILE A 26 3.767 -1.803 4.071 1.00 0.23 H new ATOM 0 HB ILE A 26 4.003 -1.714 1.309 1.00 0.31 H new ATOM 0 HG12 ILE A 26 2.960 -0.122 3.027 1.00 0.41 H new ATOM 0 HG13 ILE A 26 2.188 -0.190 1.455 1.00 0.41 H new ATOM 0 HG21 ILE A 26 1.875 -2.571 0.423 1.00 0.39 H new ATOM 0 HG22 ILE A 26 2.944 -3.871 1.002 1.00 0.39 H new ATOM 0 HG23 ILE A 26 1.553 -3.359 1.986 1.00 0.39 H new ATOM 0 HD11 ILE A 26 0.528 -0.175 3.247 1.00 0.73 H new ATOM 0 HD12 ILE A 26 0.467 -1.711 2.350 1.00 0.73 H new ATOM 0 HD13 ILE A 26 1.251 -1.643 3.947 1.00 0.73 H new ATOM 432 N GLU A 27 2.630 -3.864 4.878 1.00 0.22 N ATOM 433 CA GLU A 27 2.019 -5.085 5.381 1.00 0.23 C ATOM 434 C GLU A 27 0.546 -5.096 5.016 1.00 0.22 C ATOM 435 O GLU A 27 -0.035 -4.047 4.756 1.00 0.27 O ATOM 436 CB GLU A 27 2.186 -5.183 6.902 1.00 0.26 C ATOM 437 CG GLU A 27 1.649 -6.476 7.499 1.00 0.65 C ATOM 438 CD GLU A 27 1.528 -6.415 9.005 1.00 1.14 C ATOM 439 OE1 GLU A 27 2.520 -6.732 9.696 1.00 1.23 O ATOM 440 OE2 GLU A 27 0.442 -6.053 9.506 1.00 1.65 O ATOM 0 H GLU A 27 2.498 -3.043 5.469 1.00 0.22 H new ATOM 0 HA GLU A 27 2.513 -5.944 4.927 1.00 0.23 H new ATOM 0 HB2 GLU A 27 3.244 -5.092 7.148 1.00 0.26 H new ATOM 0 HB3 GLU A 27 1.677 -4.340 7.369 1.00 0.26 H new ATOM 0 HG2 GLU A 27 0.671 -6.692 7.068 1.00 0.65 H new ATOM 0 HG3 GLU A 27 2.308 -7.300 7.224 1.00 0.65 H new ATOM 447 N TYR A 28 -0.055 -6.271 4.961 1.00 0.23 N ATOM 448 CA TYR A 28 -1.488 -6.356 4.793 1.00 0.22 C ATOM 449 C TYR A 28 -2.015 -7.688 5.293 1.00 0.28 C ATOM 450 O TYR A 28 -1.277 -8.668 5.386 1.00 0.45 O ATOM 451 CB TYR A 28 -1.901 -6.123 3.327 1.00 0.29 C ATOM 452 CG TYR A 28 -1.488 -7.202 2.346 1.00 0.35 C ATOM 453 CD1 TYR A 28 -2.296 -8.311 2.129 1.00 0.44 C ATOM 454 CD2 TYR A 28 -0.313 -7.095 1.612 1.00 0.40 C ATOM 455 CE1 TYR A 28 -1.946 -9.282 1.213 1.00 0.56 C ATOM 456 CE2 TYR A 28 0.047 -8.067 0.698 1.00 0.50 C ATOM 457 CZ TYR A 28 -0.774 -9.156 0.502 1.00 0.60 C ATOM 458 OH TYR A 28 -0.433 -10.115 -0.425 1.00 0.70 O ATOM 0 H TYR A 28 0.424 -7.169 5.030 1.00 0.23 H new ATOM 0 HA TYR A 28 -1.934 -5.563 5.393 1.00 0.22 H new ATOM 0 HB2 TYR A 28 -2.985 -6.018 3.287 1.00 0.29 H new ATOM 0 HB3 TYR A 28 -1.476 -5.175 2.996 1.00 0.29 H new ATOM 0 HD1 TYR A 28 -3.215 -8.415 2.687 1.00 0.44 H new ATOM 0 HD2 TYR A 28 0.329 -6.239 1.758 1.00 0.40 H new ATOM 0 HE1 TYR A 28 -2.588 -10.136 1.055 1.00 0.56 H new ATOM 0 HE2 TYR A 28 0.967 -7.973 0.140 1.00 0.50 H new ATOM 0 HH TYR A 28 0.530 -10.292 -0.374 1.00 0.70 H new ATOM 468 N LYS A 29 -3.287 -7.704 5.641 1.00 0.24 N ATOM 469 CA LYS A 29 -3.958 -8.925 6.030 1.00 0.32 C ATOM 470 C LYS A 29 -5.301 -8.995 5.334 1.00 0.25 C ATOM 471 O LYS A 29 -5.990 -7.984 5.189 1.00 0.31 O ATOM 472 CB LYS A 29 -4.136 -9.029 7.555 1.00 0.49 C ATOM 473 CG LYS A 29 -4.820 -7.831 8.200 1.00 0.58 C ATOM 474 CD LYS A 29 -3.816 -6.811 8.716 1.00 0.74 C ATOM 475 CE LYS A 29 -2.941 -7.391 9.818 1.00 1.09 C ATOM 476 NZ LYS A 29 -2.043 -6.371 10.425 1.00 1.52 N ATOM 0 H LYS A 29 -3.880 -6.875 5.662 1.00 0.24 H new ATOM 0 HA LYS A 29 -3.336 -9.768 5.727 1.00 0.32 H new ATOM 0 HB2 LYS A 29 -4.715 -9.925 7.779 1.00 0.49 H new ATOM 0 HB3 LYS A 29 -3.156 -9.160 8.013 1.00 0.49 H new ATOM 0 HG2 LYS A 29 -5.479 -7.355 7.474 1.00 0.58 H new ATOM 0 HG3 LYS A 29 -5.447 -8.172 9.024 1.00 0.58 H new ATOM 0 HD2 LYS A 29 -3.187 -6.471 7.893 1.00 0.74 H new ATOM 0 HD3 LYS A 29 -4.347 -5.937 9.094 1.00 0.74 H new ATOM 0 HE2 LYS A 29 -3.575 -7.821 10.594 1.00 1.09 H new ATOM 0 HE3 LYS A 29 -2.340 -8.204 9.411 1.00 1.09 H new ATOM 0 HZ1 LYS A 29 -1.567 -6.778 11.256 1.00 1.52 H new ATOM 0 HZ2 LYS A 29 -1.330 -6.077 9.727 1.00 1.52 H new ATOM 0 HZ3 LYS A 29 -2.603 -5.545 10.717 1.00 1.52 H new ATOM 490 N MET A 30 -5.661 -10.179 4.889 1.00 0.32 N ATOM 491 CA MET A 30 -6.894 -10.367 4.161 1.00 0.27 C ATOM 492 C MET A 30 -8.022 -10.606 5.155 1.00 0.30 C ATOM 493 O MET A 30 -8.151 -11.692 5.726 1.00 0.39 O ATOM 494 CB MET A 30 -6.766 -11.560 3.212 1.00 0.36 C ATOM 495 CG MET A 30 -5.436 -11.630 2.481 1.00 1.00 C ATOM 496 SD MET A 30 -5.254 -13.145 1.522 1.00 1.12 S ATOM 497 CE MET A 30 -5.282 -14.374 2.827 1.00 1.85 C ATOM 0 H MET A 30 -5.113 -11.029 5.020 1.00 0.32 H new ATOM 0 HA MET A 30 -7.111 -9.478 3.569 1.00 0.27 H new ATOM 0 HB2 MET A 30 -6.905 -12.480 3.781 1.00 0.36 H new ATOM 0 HB3 MET A 30 -7.570 -11.515 2.478 1.00 0.36 H new ATOM 0 HG2 MET A 30 -5.344 -10.770 1.817 1.00 1.00 H new ATOM 0 HG3 MET A 30 -4.624 -11.562 3.204 1.00 1.00 H new ATOM 0 HE1 MET A 30 -4.788 -15.282 2.482 1.00 1.85 H new ATOM 0 HE2 MET A 30 -4.760 -13.987 3.702 1.00 1.85 H new ATOM 0 HE3 MET A 30 -6.315 -14.600 3.091 1.00 1.85 H new ATOM 507 N ARG A 31 -8.820 -9.582 5.362 1.00 0.29 N ATOM 508 CA ARG A 31 -9.885 -9.617 6.339 1.00 0.39 C ATOM 509 C ARG A 31 -11.157 -10.107 5.680 1.00 0.42 C ATOM 510 O ARG A 31 -11.277 -10.055 4.452 1.00 0.38 O ATOM 511 CB ARG A 31 -10.101 -8.220 6.925 1.00 0.46 C ATOM 512 CG ARG A 31 -8.872 -7.665 7.631 1.00 0.67 C ATOM 513 CD ARG A 31 -9.104 -6.262 8.172 1.00 0.66 C ATOM 514 NE ARG A 31 -9.945 -6.257 9.369 1.00 0.98 N ATOM 515 CZ ARG A 31 -10.051 -5.219 10.199 1.00 1.28 C ATOM 516 NH1 ARG A 31 -9.382 -4.095 9.962 1.00 1.41 N ATOM 517 NH2 ARG A 31 -10.822 -5.316 11.274 1.00 2.03 N ATOM 0 H ARG A 31 -8.748 -8.699 4.856 1.00 0.29 H new ATOM 0 HA ARG A 31 -9.614 -10.297 7.146 1.00 0.39 H new ATOM 0 HB2 ARG A 31 -10.390 -7.539 6.125 1.00 0.46 H new ATOM 0 HB3 ARG A 31 -10.932 -8.254 7.630 1.00 0.46 H new ATOM 0 HG2 ARG A 31 -8.596 -8.328 8.451 1.00 0.67 H new ATOM 0 HG3 ARG A 31 -8.032 -7.650 6.937 1.00 0.67 H new ATOM 0 HD2 ARG A 31 -8.144 -5.802 8.404 1.00 0.66 H new ATOM 0 HD3 ARG A 31 -9.572 -5.651 7.400 1.00 0.66 H new ATOM 0 HE ARG A 31 -10.482 -7.098 9.581 1.00 0.98 H new ATOM 0 HH11 ARG A 31 -8.782 -4.022 9.140 1.00 1.41 H new ATOM 0 HH12 ARG A 31 -9.469 -3.305 10.602 1.00 1.41 H new ATOM 0 HH21 ARG A 31 -11.329 -6.181 11.461 1.00 2.03 H new ATOM 0 HH22 ARG A 31 -10.908 -4.526 11.913 1.00 2.03 H new ATOM 531 N ASN A 32 -12.084 -10.607 6.488 1.00 0.55 N ATOM 532 CA ASN A 32 -13.381 -11.042 5.989 1.00 0.64 C ATOM 533 C ASN A 32 -13.198 -12.189 4.997 1.00 0.65 C ATOM 534 O ASN A 32 -13.731 -12.161 3.890 1.00 0.66 O ATOM 535 CB ASN A 32 -14.099 -9.849 5.343 1.00 0.64 C ATOM 536 CG ASN A 32 -15.558 -10.112 5.028 1.00 0.77 C ATOM 537 OD1 ASN A 32 -16.214 -10.937 5.665 1.00 1.15 O ATOM 538 ND2 ASN A 32 -16.076 -9.382 4.057 1.00 0.99 N ATOM 0 H ASN A 32 -11.960 -10.721 7.494 1.00 0.55 H new ATOM 0 HA ASN A 32 -13.995 -11.409 6.812 1.00 0.64 H new ATOM 0 HB2 ASN A 32 -14.030 -8.990 6.011 1.00 0.64 H new ATOM 0 HB3 ASN A 32 -13.581 -9.580 4.423 1.00 0.64 H new ATOM 0 HD21 ASN A 32 -17.059 -9.489 3.807 1.00 0.99 H new ATOM 0 HD22 ASN A 32 -15.493 -8.711 3.557 1.00 0.99 H new ATOM 545 N ASN A 33 -12.392 -13.177 5.398 1.00 0.73 N ATOM 546 CA ASN A 33 -12.130 -14.373 4.583 1.00 0.83 C ATOM 547 C ASN A 33 -11.301 -14.047 3.348 1.00 0.78 C ATOM 548 O ASN A 33 -11.155 -14.880 2.452 1.00 1.04 O ATOM 549 CB ASN A 33 -13.429 -15.060 4.159 1.00 0.95 C ATOM 550 CG ASN A 33 -14.126 -15.747 5.312 1.00 1.62 C ATOM 551 OD1 ASN A 33 -13.484 -16.249 6.237 1.00 1.82 O ATOM 552 ND2 ASN A 33 -15.444 -15.769 5.269 1.00 2.33 N ATOM 0 H ASN A 33 -11.903 -13.173 6.293 1.00 0.73 H new ATOM 0 HA ASN A 33 -11.560 -15.055 5.213 1.00 0.83 H new ATOM 0 HB2 ASN A 33 -14.100 -14.321 3.721 1.00 0.95 H new ATOM 0 HB3 ASN A 33 -13.211 -15.793 3.382 1.00 0.95 H new ATOM 0 HD21 ASN A 33 -15.971 -16.214 6.020 1.00 2.33 H new ATOM 0 HD22 ASN A 33 -15.936 -15.341 4.484 1.00 2.33 H new ATOM 559 N GLY A 34 -10.751 -12.845 3.312 1.00 0.55 N ATOM 560 CA GLY A 34 -9.924 -12.442 2.198 1.00 0.52 C ATOM 561 C GLY A 34 -10.679 -11.604 1.193 1.00 0.48 C ATOM 562 O GLY A 34 -10.306 -11.532 0.023 1.00 0.62 O ATOM 0 H GLY A 34 -10.864 -12.138 4.039 1.00 0.55 H new ATOM 0 HA2 GLY A 34 -9.069 -11.876 2.569 1.00 0.52 H new ATOM 0 HA3 GLY A 34 -9.528 -13.329 1.703 1.00 0.52 H new ATOM 566 N LYS A 35 -11.745 -10.968 1.650 1.00 0.40 N ATOM 567 CA LYS A 35 -12.501 -10.055 0.806 1.00 0.40 C ATOM 568 C LYS A 35 -11.936 -8.653 0.925 1.00 0.28 C ATOM 569 O LYS A 35 -12.063 -7.838 0.011 1.00 0.28 O ATOM 570 CB LYS A 35 -13.977 -10.048 1.198 1.00 0.52 C ATOM 571 CG LYS A 35 -14.660 -11.392 1.025 1.00 0.67 C ATOM 572 CD LYS A 35 -14.654 -11.842 -0.428 1.00 0.85 C ATOM 573 CE LYS A 35 -15.339 -13.185 -0.592 1.00 1.14 C ATOM 574 NZ LYS A 35 -16.760 -13.144 -0.158 1.00 1.60 N ATOM 0 H LYS A 35 -12.107 -11.066 2.599 1.00 0.40 H new ATOM 0 HA LYS A 35 -12.417 -10.395 -0.226 1.00 0.40 H new ATOM 0 HB2 LYS A 35 -14.066 -9.736 2.239 1.00 0.52 H new ATOM 0 HB3 LYS A 35 -14.500 -9.304 0.597 1.00 0.52 H new ATOM 0 HG2 LYS A 35 -14.156 -12.138 1.639 1.00 0.67 H new ATOM 0 HG3 LYS A 35 -15.688 -11.327 1.382 1.00 0.67 H new ATOM 0 HD2 LYS A 35 -15.158 -11.097 -1.044 1.00 0.85 H new ATOM 0 HD3 LYS A 35 -13.627 -11.909 -0.786 1.00 0.85 H new ATOM 0 HE2 LYS A 35 -15.288 -13.492 -1.637 1.00 1.14 H new ATOM 0 HE3 LYS A 35 -14.805 -13.937 -0.012 1.00 1.14 H new ATOM 0 HZ1 LYS A 35 -17.256 -13.986 -0.515 1.00 1.60 H new ATOM 0 HZ2 LYS A 35 -16.805 -13.129 0.881 1.00 1.60 H new ATOM 0 HZ3 LYS A 35 -17.214 -12.288 -0.536 1.00 1.60 H new ATOM 588 N VAL A 36 -11.310 -8.381 2.060 1.00 0.25 N ATOM 589 CA VAL A 36 -10.737 -7.076 2.318 1.00 0.19 C ATOM 590 C VAL A 36 -9.245 -7.179 2.590 1.00 0.16 C ATOM 591 O VAL A 36 -8.815 -7.897 3.477 1.00 0.22 O ATOM 592 CB VAL A 36 -11.438 -6.388 3.512 1.00 0.24 C ATOM 593 CG1 VAL A 36 -10.705 -5.121 3.923 1.00 0.31 C ATOM 594 CG2 VAL A 36 -12.885 -6.073 3.170 1.00 0.30 C ATOM 0 H VAL A 36 -11.188 -9.052 2.818 1.00 0.25 H new ATOM 0 HA VAL A 36 -10.890 -6.471 1.425 1.00 0.19 H new ATOM 0 HB VAL A 36 -11.419 -7.079 4.355 1.00 0.24 H new ATOM 0 HG11 VAL A 36 -11.221 -4.659 4.765 1.00 0.31 H new ATOM 0 HG12 VAL A 36 -9.685 -5.369 4.215 1.00 0.31 H new ATOM 0 HG13 VAL A 36 -10.683 -4.425 3.084 1.00 0.31 H new ATOM 0 HG21 VAL A 36 -13.363 -5.589 4.022 1.00 0.30 H new ATOM 0 HG22 VAL A 36 -12.918 -5.407 2.308 1.00 0.30 H new ATOM 0 HG23 VAL A 36 -13.413 -6.997 2.935 1.00 0.30 H new ATOM 604 N MET A 37 -8.464 -6.456 1.820 1.00 0.15 N ATOM 605 CA MET A 37 -7.035 -6.373 2.048 1.00 0.18 C ATOM 606 C MET A 37 -6.742 -5.173 2.912 1.00 0.16 C ATOM 607 O MET A 37 -6.881 -4.036 2.471 1.00 0.17 O ATOM 608 CB MET A 37 -6.279 -6.248 0.722 1.00 0.24 C ATOM 609 CG MET A 37 -6.370 -7.477 -0.169 1.00 0.51 C ATOM 610 SD MET A 37 -5.494 -8.897 0.506 1.00 1.03 S ATOM 611 CE MET A 37 -5.839 -10.131 -0.748 1.00 1.66 C ATOM 0 H MET A 37 -8.796 -5.912 1.023 1.00 0.15 H new ATOM 0 HA MET A 37 -6.704 -7.284 2.547 1.00 0.18 H new ATOM 0 HB2 MET A 37 -6.667 -5.388 0.176 1.00 0.24 H new ATOM 0 HB3 MET A 37 -5.229 -6.044 0.934 1.00 0.24 H new ATOM 0 HG2 MET A 37 -7.418 -7.738 -0.313 1.00 0.51 H new ATOM 0 HG3 MET A 37 -5.963 -7.238 -1.151 1.00 0.51 H new ATOM 0 HE1 MET A 37 -5.150 -10.968 -0.634 1.00 1.66 H new ATOM 0 HE2 MET A 37 -6.863 -10.487 -0.636 1.00 1.66 H new ATOM 0 HE3 MET A 37 -5.714 -9.690 -1.737 1.00 1.66 H new ATOM 621 N ASP A 38 -6.370 -5.411 4.146 1.00 0.17 N ATOM 622 CA ASP A 38 -6.053 -4.314 5.029 1.00 0.18 C ATOM 623 C ASP A 38 -4.598 -3.948 4.864 1.00 0.18 C ATOM 624 O ASP A 38 -3.714 -4.666 5.323 1.00 0.20 O ATOM 625 CB ASP A 38 -6.348 -4.693 6.477 1.00 0.24 C ATOM 626 CG ASP A 38 -6.440 -3.489 7.409 1.00 0.32 C ATOM 627 OD1 ASP A 38 -5.584 -2.583 7.327 1.00 0.97 O ATOM 628 OD2 ASP A 38 -7.372 -3.452 8.244 1.00 0.81 O ATOM 0 H ASP A 38 -6.280 -6.340 4.558 1.00 0.17 H new ATOM 0 HA ASP A 38 -6.672 -3.454 4.773 1.00 0.18 H new ATOM 0 HB2 ASP A 38 -7.286 -5.247 6.516 1.00 0.24 H new ATOM 0 HB3 ASP A 38 -5.567 -5.363 6.836 1.00 0.24 H new ATOM 633 N LEU A 39 -4.366 -2.831 4.199 1.00 0.18 N ATOM 634 CA LEU A 39 -3.021 -2.347 3.945 1.00 0.19 C ATOM 635 C LEU A 39 -2.491 -1.680 5.194 1.00 0.20 C ATOM 636 O LEU A 39 -2.767 -0.512 5.461 1.00 0.28 O ATOM 637 CB LEU A 39 -3.008 -1.380 2.753 1.00 0.20 C ATOM 638 CG LEU A 39 -3.009 -2.030 1.367 1.00 0.19 C ATOM 639 CD1 LEU A 39 -4.032 -3.150 1.259 1.00 0.18 C ATOM 640 CD2 LEU A 39 -3.266 -0.976 0.304 1.00 0.22 C ATOM 0 H LEU A 39 -5.102 -2.235 3.821 1.00 0.18 H new ATOM 0 HA LEU A 39 -2.375 -3.187 3.689 1.00 0.19 H new ATOM 0 HB2 LEU A 39 -3.879 -0.729 2.829 1.00 0.20 H new ATOM 0 HB3 LEU A 39 -2.126 -0.744 2.835 1.00 0.20 H new ATOM 0 HG LEU A 39 -2.027 -2.476 1.210 1.00 0.19 H new ATOM 0 HD11 LEU A 39 -3.996 -3.581 0.258 1.00 0.18 H new ATOM 0 HD12 LEU A 39 -3.806 -3.922 1.995 1.00 0.18 H new ATOM 0 HD13 LEU A 39 -5.029 -2.751 1.447 1.00 0.18 H new ATOM 0 HD21 LEU A 39 -3.266 -1.444 -0.680 1.00 0.22 H new ATOM 0 HD22 LEU A 39 -4.234 -0.508 0.483 1.00 0.22 H new ATOM 0 HD23 LEU A 39 -2.483 -0.219 0.346 1.00 0.22 H new ATOM 652 N VAL A 40 -1.738 -2.437 5.956 1.00 0.17 N ATOM 653 CA VAL A 40 -1.311 -2.024 7.270 1.00 0.20 C ATOM 654 C VAL A 40 0.147 -1.610 7.263 1.00 0.18 C ATOM 655 O VAL A 40 1.012 -2.375 6.853 1.00 0.23 O ATOM 656 CB VAL A 40 -1.478 -3.172 8.287 1.00 0.29 C ATOM 657 CG1 VAL A 40 -1.050 -2.737 9.679 1.00 0.84 C ATOM 658 CG2 VAL A 40 -2.906 -3.670 8.303 1.00 0.88 C ATOM 0 H VAL A 40 -1.403 -3.360 5.680 1.00 0.17 H new ATOM 0 HA VAL A 40 -1.934 -1.177 7.557 1.00 0.20 H new ATOM 0 HB VAL A 40 -0.830 -3.991 7.975 1.00 0.29 H new ATOM 0 HG11 VAL A 40 -1.179 -3.566 10.375 1.00 0.84 H new ATOM 0 HG12 VAL A 40 -0.002 -2.438 9.661 1.00 0.84 H new ATOM 0 HG13 VAL A 40 -1.662 -1.895 10.001 1.00 0.84 H new ATOM 0 HG21 VAL A 40 -3.001 -4.479 9.027 1.00 0.88 H new ATOM 0 HG22 VAL A 40 -3.573 -2.854 8.581 1.00 0.88 H new ATOM 0 HG23 VAL A 40 -3.175 -4.036 7.312 1.00 0.88 H new ATOM 668 N HIS A 41 0.402 -0.385 7.683 1.00 0.16 N ATOM 669 CA HIS A 41 1.744 0.031 8.051 1.00 0.17 C ATOM 670 C HIS A 41 2.649 0.189 6.839 1.00 0.14 C ATOM 671 O HIS A 41 3.347 -0.740 6.434 1.00 0.17 O ATOM 672 CB HIS A 41 2.337 -0.977 9.051 1.00 0.22 C ATOM 673 CG HIS A 41 3.573 -0.530 9.776 1.00 0.42 C ATOM 674 ND1 HIS A 41 4.646 0.191 9.372 1.00 0.98 N flip ATOM 675 CD2 HIS A 41 3.818 -0.869 11.086 1.00 0.56 C flip ATOM 676 CE1 HIS A 41 5.510 0.269 10.439 1.00 1.03 C flip ATOM 677 NE2 HIS A 41 4.981 -0.378 11.460 1.00 0.67 N flip ATOM 0 H HIS A 41 -0.306 0.343 7.778 1.00 0.16 H new ATOM 0 HA HIS A 41 1.678 1.013 8.520 1.00 0.17 H new ATOM 0 HB2 HIS A 41 1.573 -1.219 9.790 1.00 0.22 H new ATOM 0 HB3 HIS A 41 2.566 -1.899 8.516 1.00 0.22 H new ATOM 0 HD2 HIS A 41 3.157 -1.450 11.713 1.00 0.56 H new ATOM 0 HE1 HIS A 41 6.464 0.776 10.441 1.00 1.03 H new ATOM 0 HE2 HIS A 41 5.402 -0.481 12.383 1.00 0.67 H new ATOM 686 N THR A 42 2.613 1.371 6.260 1.00 0.16 N ATOM 687 CA THR A 42 3.580 1.754 5.256 1.00 0.16 C ATOM 688 C THR A 42 4.833 2.247 5.969 1.00 0.20 C ATOM 689 O THR A 42 4.763 3.150 6.810 1.00 0.31 O ATOM 690 CB THR A 42 3.028 2.865 4.328 1.00 0.20 C ATOM 691 OG1 THR A 42 4.025 3.274 3.394 1.00 0.22 O ATOM 692 CG2 THR A 42 2.557 4.072 5.131 1.00 0.31 C ATOM 0 H THR A 42 1.918 2.087 6.471 1.00 0.16 H new ATOM 0 HA THR A 42 3.806 0.891 4.629 1.00 0.16 H new ATOM 0 HB THR A 42 2.175 2.452 3.790 1.00 0.20 H new ATOM 0 HG1 THR A 42 3.678 3.178 2.482 1.00 0.22 H new ATOM 0 HG21 THR A 42 2.175 4.834 4.452 1.00 0.31 H new ATOM 0 HG22 THR A 42 1.766 3.767 5.816 1.00 0.31 H new ATOM 0 HG23 THR A 42 3.393 4.479 5.700 1.00 0.31 H new ATOM 700 N TYR A 43 5.970 1.640 5.700 1.00 0.22 N ATOM 701 CA TYR A 43 7.181 2.085 6.351 1.00 0.29 C ATOM 702 C TYR A 43 8.344 2.124 5.385 1.00 0.27 C ATOM 703 O TYR A 43 8.541 1.205 4.597 1.00 0.37 O ATOM 704 CB TYR A 43 7.522 1.206 7.549 1.00 0.45 C ATOM 705 CG TYR A 43 8.341 1.946 8.575 1.00 0.74 C ATOM 706 CD1 TYR A 43 7.793 2.957 9.351 1.00 1.15 C ATOM 707 CD2 TYR A 43 9.669 1.605 8.778 1.00 0.94 C ATOM 708 CE1 TYR A 43 8.550 3.608 10.305 1.00 1.53 C ATOM 709 CE2 TYR A 43 10.435 2.249 9.725 1.00 1.34 C ATOM 710 CZ TYR A 43 9.830 3.366 10.441 1.00 1.58 C ATOM 711 OH TYR A 43 10.627 3.899 11.445 1.00 2.02 O ATOM 0 H TYR A 43 6.080 0.859 5.053 1.00 0.22 H new ATOM 0 HA TYR A 43 6.998 3.098 6.709 1.00 0.29 H new ATOM 0 HB2 TYR A 43 6.602 0.847 8.010 1.00 0.45 H new ATOM 0 HB3 TYR A 43 8.072 0.328 7.210 1.00 0.45 H new ATOM 0 HD1 TYR A 43 6.760 3.239 9.207 1.00 1.15 H new ATOM 0 HD2 TYR A 43 10.112 0.820 8.183 1.00 0.94 H new ATOM 0 HE1 TYR A 43 8.077 4.332 10.952 1.00 1.53 H new ATOM 0 HE2 TYR A 43 11.449 1.937 9.930 1.00 1.34 H new ATOM 0 HH TYR A 43 11.546 3.574 11.341 1.00 2.02 H new ATOM 721 N VAL A 44 9.096 3.209 5.456 1.00 0.25 N ATOM 722 CA VAL A 44 10.269 3.411 4.623 1.00 0.28 C ATOM 723 C VAL A 44 11.376 4.005 5.487 1.00 0.34 C ATOM 724 O VAL A 44 11.101 4.861 6.326 1.00 0.36 O ATOM 725 CB VAL A 44 9.974 4.384 3.457 1.00 0.33 C ATOM 726 CG1 VAL A 44 11.139 4.438 2.485 1.00 0.71 C ATOM 727 CG2 VAL A 44 8.701 3.996 2.729 1.00 0.60 C ATOM 0 H VAL A 44 8.909 3.980 6.097 1.00 0.25 H new ATOM 0 HA VAL A 44 10.566 2.451 4.201 1.00 0.28 H new ATOM 0 HB VAL A 44 9.835 5.377 3.885 1.00 0.33 H new ATOM 0 HG11 VAL A 44 10.905 5.129 1.675 1.00 0.71 H new ATOM 0 HG12 VAL A 44 12.033 4.779 3.007 1.00 0.71 H new ATOM 0 HG13 VAL A 44 11.316 3.444 2.074 1.00 0.71 H new ATOM 0 HG21 VAL A 44 8.519 4.698 1.915 1.00 0.60 H new ATOM 0 HG22 VAL A 44 8.806 2.989 2.324 1.00 0.60 H new ATOM 0 HG23 VAL A 44 7.862 4.022 3.424 1.00 0.60 H new ATOM 737 N PRO A 45 12.630 3.561 5.319 1.00 0.41 N ATOM 738 CA PRO A 45 13.764 4.119 6.061 1.00 0.48 C ATOM 739 C PRO A 45 14.015 5.585 5.707 1.00 0.51 C ATOM 740 O PRO A 45 13.389 6.135 4.792 1.00 0.50 O ATOM 741 CB PRO A 45 14.945 3.250 5.618 1.00 0.61 C ATOM 742 CG PRO A 45 14.528 2.699 4.301 1.00 0.79 C ATOM 743 CD PRO A 45 13.049 2.481 4.414 1.00 0.48 C ATOM 0 HA PRO A 45 13.595 4.108 7.138 1.00 0.48 H new ATOM 0 HB2 PRO A 45 15.859 3.837 5.531 1.00 0.61 H new ATOM 0 HB3 PRO A 45 15.144 2.455 6.336 1.00 0.61 H new ATOM 0 HG2 PRO A 45 14.763 3.391 3.493 1.00 0.79 H new ATOM 0 HG3 PRO A 45 15.048 1.766 4.083 1.00 0.79 H new ATOM 0 HD2 PRO A 45 12.555 2.550 3.445 1.00 0.48 H new ATOM 0 HD3 PRO A 45 12.815 1.498 4.822 1.00 0.48 H new ATOM 751 N SER A 46 14.961 6.197 6.405 1.00 0.63 N ATOM 752 CA SER A 46 15.269 7.611 6.234 1.00 0.77 C ATOM 753 C SER A 46 15.760 7.895 4.809 1.00 0.80 C ATOM 754 O SER A 46 15.752 9.038 4.356 1.00 0.94 O ATOM 755 CB SER A 46 16.325 8.030 7.265 1.00 0.91 C ATOM 756 OG SER A 46 16.349 9.436 7.456 1.00 1.39 O ATOM 0 H SER A 46 15.536 5.729 7.105 1.00 0.63 H new ATOM 0 HA SER A 46 14.362 8.194 6.393 1.00 0.77 H new ATOM 0 HB2 SER A 46 16.120 7.538 8.216 1.00 0.91 H new ATOM 0 HB3 SER A 46 17.308 7.691 6.937 1.00 0.91 H new ATOM 0 HG SER A 46 17.032 9.664 8.120 1.00 1.39 H new ATOM 762 N PHE A 47 16.165 6.842 4.103 1.00 0.75 N ATOM 763 CA PHE A 47 16.645 6.969 2.730 1.00 0.80 C ATOM 764 C PHE A 47 15.559 7.514 1.801 1.00 0.73 C ATOM 765 O PHE A 47 15.848 8.273 0.879 1.00 0.82 O ATOM 766 CB PHE A 47 17.097 5.608 2.189 1.00 0.83 C ATOM 767 CG PHE A 47 18.204 4.956 2.966 1.00 1.39 C ATOM 768 CD1 PHE A 47 19.523 5.317 2.755 1.00 1.61 C ATOM 769 CD2 PHE A 47 17.922 3.969 3.896 1.00 2.13 C ATOM 770 CE1 PHE A 47 20.542 4.707 3.460 1.00 2.39 C ATOM 771 CE2 PHE A 47 18.936 3.353 4.601 1.00 3.04 C ATOM 772 CZ PHE A 47 20.247 3.723 4.383 1.00 3.12 C ATOM 0 H PHE A 47 16.170 5.887 4.462 1.00 0.75 H new ATOM 0 HA PHE A 47 17.483 7.666 2.752 1.00 0.80 H new ATOM 0 HB2 PHE A 47 16.239 4.936 2.173 1.00 0.83 H new ATOM 0 HB3 PHE A 47 17.422 5.733 1.156 1.00 0.83 H new ATOM 0 HD1 PHE A 47 19.758 6.084 2.032 1.00 1.61 H new ATOM 0 HD2 PHE A 47 16.897 3.678 4.071 1.00 2.13 H new ATOM 0 HE1 PHE A 47 21.568 4.999 3.290 1.00 2.39 H new ATOM 0 HE2 PHE A 47 18.704 2.583 5.322 1.00 3.04 H new ATOM 0 HZ PHE A 47 21.042 3.243 4.934 1.00 3.12 H new ATOM 782 N LYS A 48 14.308 7.128 2.050 1.00 0.61 N ATOM 783 CA LYS A 48 13.227 7.404 1.102 1.00 0.60 C ATOM 784 C LYS A 48 11.926 7.772 1.818 1.00 0.64 C ATOM 785 O LYS A 48 10.842 7.414 1.354 1.00 0.78 O ATOM 786 CB LYS A 48 12.984 6.171 0.218 1.00 0.55 C ATOM 787 CG LYS A 48 14.177 5.760 -0.634 1.00 0.76 C ATOM 788 CD LYS A 48 13.932 4.431 -1.336 1.00 0.81 C ATOM 789 CE LYS A 48 13.930 3.263 -0.354 1.00 0.97 C ATOM 790 NZ LYS A 48 15.281 3.021 0.227 1.00 1.19 N ATOM 0 H LYS A 48 14.019 6.628 2.891 1.00 0.61 H new ATOM 0 HA LYS A 48 13.533 8.253 0.491 1.00 0.60 H new ATOM 0 HB2 LYS A 48 12.703 5.333 0.855 1.00 0.55 H new ATOM 0 HB3 LYS A 48 12.137 6.371 -0.438 1.00 0.55 H new ATOM 0 HG2 LYS A 48 14.379 6.533 -1.376 1.00 0.76 H new ATOM 0 HG3 LYS A 48 15.064 5.682 -0.006 1.00 0.76 H new ATOM 0 HD2 LYS A 48 12.977 4.467 -1.860 1.00 0.81 H new ATOM 0 HD3 LYS A 48 14.703 4.271 -2.090 1.00 0.81 H new ATOM 0 HE2 LYS A 48 13.221 3.465 0.449 1.00 0.97 H new ATOM 0 HE3 LYS A 48 13.587 2.362 -0.863 1.00 0.97 H new ATOM 0 HZ1 LYS A 48 15.232 2.231 0.901 1.00 1.19 H new ATOM 0 HZ2 LYS A 48 15.949 2.786 -0.534 1.00 1.19 H new ATOM 0 HZ3 LYS A 48 15.605 3.877 0.720 1.00 1.19 H new ATOM 804 N ARG A 49 12.038 8.500 2.925 1.00 0.73 N ATOM 805 CA ARG A 49 10.874 8.861 3.742 1.00 0.84 C ATOM 806 C ARG A 49 9.783 9.559 2.924 1.00 0.91 C ATOM 807 O ARG A 49 8.758 8.955 2.608 1.00 1.75 O ATOM 808 CB ARG A 49 11.298 9.744 4.919 1.00 1.03 C ATOM 809 CG ARG A 49 11.946 8.977 6.062 1.00 1.35 C ATOM 810 CD ARG A 49 10.909 8.377 7.005 1.00 1.45 C ATOM 811 NE ARG A 49 9.939 7.528 6.311 1.00 1.92 N ATOM 812 CZ ARG A 49 8.774 7.146 6.834 1.00 2.48 C ATOM 813 NH1 ARG A 49 8.450 7.498 8.072 1.00 2.70 N ATOM 814 NH2 ARG A 49 7.931 6.402 6.125 1.00 3.23 N ATOM 0 H ARG A 49 12.925 8.855 3.282 1.00 0.73 H new ATOM 0 HA ARG A 49 10.451 7.932 4.123 1.00 0.84 H new ATOM 0 HB2 ARG A 49 11.996 10.501 4.560 1.00 1.03 H new ATOM 0 HB3 ARG A 49 10.423 10.272 5.298 1.00 1.03 H new ATOM 0 HG2 ARG A 49 12.571 8.181 5.657 1.00 1.35 H new ATOM 0 HG3 ARG A 49 12.602 9.644 6.621 1.00 1.35 H new ATOM 0 HD2 ARG A 49 11.417 7.791 7.771 1.00 1.45 H new ATOM 0 HD3 ARG A 49 10.381 9.181 7.517 1.00 1.45 H new ATOM 0 HE ARG A 49 10.169 7.209 5.370 1.00 1.92 H new ATOM 0 HH11 ARG A 49 9.093 8.063 8.627 1.00 2.70 H new ATOM 0 HH12 ARG A 49 7.558 7.204 8.469 1.00 2.70 H new ATOM 0 HH21 ARG A 49 8.174 6.120 5.175 1.00 3.23 H new ATOM 0 HH22 ARG A 49 7.041 6.113 6.531 1.00 3.23 H new ATOM 828 N GLY A 50 10.006 10.817 2.572 1.00 1.00 N ATOM 829 CA GLY A 50 9.019 11.562 1.810 1.00 1.07 C ATOM 830 C GLY A 50 9.289 11.500 0.321 1.00 0.98 C ATOM 831 O GLY A 50 9.075 12.474 -0.401 1.00 1.12 O ATOM 0 H GLY A 50 10.853 11.337 2.800 1.00 1.00 H new ATOM 0 HA2 GLY A 50 8.026 11.163 2.015 1.00 1.07 H new ATOM 0 HA3 GLY A 50 9.019 12.602 2.136 1.00 1.07 H new ATOM 835 N LEU A 51 9.758 10.348 -0.137 1.00 0.81 N ATOM 836 CA LEU A 51 10.126 10.172 -1.536 1.00 0.81 C ATOM 837 C LEU A 51 8.998 9.548 -2.342 1.00 0.71 C ATOM 838 O LEU A 51 9.120 9.369 -3.552 1.00 0.88 O ATOM 839 CB LEU A 51 11.379 9.304 -1.659 1.00 0.82 C ATOM 840 CG LEU A 51 12.720 10.050 -1.588 1.00 1.11 C ATOM 841 CD1 LEU A 51 12.835 11.058 -2.721 1.00 1.46 C ATOM 842 CD2 LEU A 51 12.890 10.746 -0.244 1.00 1.95 C ATOM 0 H LEU A 51 9.893 9.519 0.441 1.00 0.81 H new ATOM 0 HA LEU A 51 10.329 11.164 -1.940 1.00 0.81 H new ATOM 0 HB2 LEU A 51 11.359 8.556 -0.866 1.00 0.82 H new ATOM 0 HB3 LEU A 51 11.334 8.766 -2.606 1.00 0.82 H new ATOM 0 HG LEU A 51 13.516 9.313 -1.694 1.00 1.11 H new ATOM 0 HD11 LEU A 51 13.792 11.575 -2.652 1.00 1.46 H new ATOM 0 HD12 LEU A 51 12.771 10.539 -3.677 1.00 1.46 H new ATOM 0 HD13 LEU A 51 12.025 11.783 -2.647 1.00 1.46 H new ATOM 0 HD21 LEU A 51 13.848 11.266 -0.222 1.00 1.95 H new ATOM 0 HD22 LEU A 51 12.083 11.465 -0.102 1.00 1.95 H new ATOM 0 HD23 LEU A 51 12.861 10.006 0.555 1.00 1.95 H new ATOM 854 N GLY A 52 7.903 9.198 -1.682 1.00 0.52 N ATOM 855 CA GLY A 52 6.795 8.617 -2.408 1.00 0.43 C ATOM 856 C GLY A 52 6.743 7.108 -2.294 1.00 0.32 C ATOM 857 O GLY A 52 5.680 6.504 -2.440 1.00 0.28 O ATOM 0 H GLY A 52 7.764 9.303 -0.677 1.00 0.52 H new ATOM 0 HA2 GLY A 52 5.862 9.037 -2.034 1.00 0.43 H new ATOM 0 HA3 GLY A 52 6.870 8.895 -3.459 1.00 0.43 H new ATOM 861 N LEU A 53 7.904 6.501 -2.060 1.00 0.31 N ATOM 862 CA LEU A 53 8.040 5.045 -2.017 1.00 0.27 C ATOM 863 C LEU A 53 7.032 4.427 -1.041 1.00 0.20 C ATOM 864 O LEU A 53 6.431 3.395 -1.337 1.00 0.20 O ATOM 865 CB LEU A 53 9.488 4.675 -1.639 1.00 0.29 C ATOM 866 CG LEU A 53 9.890 3.200 -1.817 1.00 0.33 C ATOM 867 CD1 LEU A 53 9.439 2.360 -0.634 1.00 0.55 C ATOM 868 CD2 LEU A 53 9.316 2.644 -3.110 1.00 0.67 C ATOM 0 H LEU A 53 8.777 7.003 -1.895 1.00 0.31 H new ATOM 0 HA LEU A 53 7.821 4.637 -3.004 1.00 0.27 H new ATOM 0 HB2 LEU A 53 10.163 5.287 -2.237 1.00 0.29 H new ATOM 0 HB3 LEU A 53 9.649 4.949 -0.596 1.00 0.29 H new ATOM 0 HG LEU A 53 10.978 3.154 -1.868 1.00 0.33 H new ATOM 0 HD11 LEU A 53 9.737 1.323 -0.789 1.00 0.55 H new ATOM 0 HD12 LEU A 53 9.901 2.738 0.278 1.00 0.55 H new ATOM 0 HD13 LEU A 53 8.354 2.415 -0.541 1.00 0.55 H new ATOM 0 HD21 LEU A 53 9.610 1.600 -3.220 1.00 0.67 H new ATOM 0 HD22 LEU A 53 8.229 2.714 -3.085 1.00 0.67 H new ATOM 0 HD23 LEU A 53 9.697 3.219 -3.954 1.00 0.67 H new ATOM 880 N ALA A 54 6.842 5.073 0.106 1.00 0.19 N ATOM 881 CA ALA A 54 5.849 4.642 1.092 1.00 0.17 C ATOM 882 C ALA A 54 4.476 4.424 0.456 1.00 0.15 C ATOM 883 O ALA A 54 3.835 3.391 0.662 1.00 0.15 O ATOM 884 CB ALA A 54 5.745 5.678 2.203 1.00 0.24 C ATOM 0 H ALA A 54 7.366 5.904 0.379 1.00 0.19 H new ATOM 0 HA ALA A 54 6.179 3.689 1.504 1.00 0.17 H new ATOM 0 HB1 ALA A 54 5.005 5.354 2.935 1.00 0.24 H new ATOM 0 HB2 ALA A 54 6.714 5.787 2.690 1.00 0.24 H new ATOM 0 HB3 ALA A 54 5.442 6.636 1.780 1.00 0.24 H new ATOM 890 N SER A 55 4.035 5.398 -0.317 1.00 0.17 N ATOM 891 CA SER A 55 2.750 5.321 -0.987 1.00 0.21 C ATOM 892 C SER A 55 2.771 4.296 -2.123 1.00 0.21 C ATOM 893 O SER A 55 1.761 3.656 -2.400 1.00 0.25 O ATOM 894 CB SER A 55 2.354 6.704 -1.504 1.00 0.28 C ATOM 895 OG SER A 55 2.194 7.618 -0.430 1.00 1.08 O ATOM 0 H SER A 55 4.552 6.258 -0.498 1.00 0.17 H new ATOM 0 HA SER A 55 2.004 4.986 -0.266 1.00 0.21 H new ATOM 0 HB2 SER A 55 3.117 7.072 -2.190 1.00 0.28 H new ATOM 0 HB3 SER A 55 1.424 6.633 -2.069 1.00 0.28 H new ATOM 0 HG SER A 55 1.942 8.497 -0.783 1.00 1.08 H new ATOM 901 N HIS A 56 3.928 4.124 -2.762 1.00 0.21 N ATOM 902 CA HIS A 56 4.070 3.129 -3.828 1.00 0.23 C ATOM 903 C HIS A 56 3.815 1.731 -3.288 1.00 0.20 C ATOM 904 O HIS A 56 3.233 0.889 -3.971 1.00 0.23 O ATOM 905 CB HIS A 56 5.461 3.182 -4.474 1.00 0.29 C ATOM 906 CG HIS A 56 5.577 4.176 -5.588 1.00 0.45 C ATOM 907 ND1 HIS A 56 5.165 3.907 -6.875 1.00 0.79 N ATOM 908 CD2 HIS A 56 6.068 5.438 -5.608 1.00 0.70 C ATOM 909 CE1 HIS A 56 5.398 4.958 -7.640 1.00 0.99 C ATOM 910 NE2 HIS A 56 5.944 5.900 -6.895 1.00 0.93 N ATOM 0 H HIS A 56 4.775 4.656 -2.563 1.00 0.21 H new ATOM 0 HA HIS A 56 3.329 3.367 -4.592 1.00 0.23 H new ATOM 0 HB2 HIS A 56 6.197 3.423 -3.707 1.00 0.29 H new ATOM 0 HB3 HIS A 56 5.711 2.192 -4.856 1.00 0.29 H new ATOM 0 HD2 HIS A 56 6.480 5.979 -4.769 1.00 0.70 H new ATOM 0 HE1 HIS A 56 5.179 5.033 -8.695 1.00 0.99 H new ATOM 0 HE2 HIS A 56 6.228 6.823 -7.222 1.00 0.93 H new ATOM 919 N LEU A 57 4.235 1.503 -2.050 1.00 0.15 N ATOM 920 CA LEU A 57 4.025 0.222 -1.394 1.00 0.13 C ATOM 921 C LEU A 57 2.531 -0.039 -1.243 1.00 0.13 C ATOM 922 O LEU A 57 2.032 -1.116 -1.573 1.00 0.15 O ATOM 923 CB LEU A 57 4.700 0.218 -0.021 1.00 0.14 C ATOM 924 CG LEU A 57 6.214 0.432 -0.036 1.00 0.17 C ATOM 925 CD1 LEU A 57 6.724 0.733 1.364 1.00 0.19 C ATOM 926 CD2 LEU A 57 6.920 -0.789 -0.605 1.00 0.22 C ATOM 0 H LEU A 57 4.725 2.192 -1.480 1.00 0.15 H new ATOM 0 HA LEU A 57 4.466 -0.567 -2.003 1.00 0.13 H new ATOM 0 HB2 LEU A 57 4.246 0.997 0.591 1.00 0.14 H new ATOM 0 HB3 LEU A 57 4.489 -0.734 0.466 1.00 0.14 H new ATOM 0 HG LEU A 57 6.433 1.287 -0.675 1.00 0.17 H new ATOM 0 HD11 LEU A 57 7.803 0.882 1.334 1.00 0.19 H new ATOM 0 HD12 LEU A 57 6.243 1.636 1.740 1.00 0.19 H new ATOM 0 HD13 LEU A 57 6.492 -0.103 2.023 1.00 0.19 H new ATOM 0 HD21 LEU A 57 7.997 -0.618 -0.608 1.00 0.22 H new ATOM 0 HD22 LEU A 57 6.692 -1.660 0.009 1.00 0.22 H new ATOM 0 HD23 LEU A 57 6.578 -0.965 -1.625 1.00 0.22 H new ATOM 938 N CYS A 58 1.829 0.975 -0.759 1.00 0.16 N ATOM 939 CA CYS A 58 0.381 0.913 -0.602 1.00 0.19 C ATOM 940 C CYS A 58 -0.305 0.709 -1.954 1.00 0.19 C ATOM 941 O CYS A 58 -1.240 -0.082 -2.072 1.00 0.20 O ATOM 942 CB CYS A 58 -0.127 2.197 0.061 1.00 0.23 C ATOM 943 SG CYS A 58 -1.905 2.217 0.395 1.00 0.27 S ATOM 0 H CYS A 58 2.243 1.860 -0.465 1.00 0.16 H new ATOM 0 HA CYS A 58 0.138 0.062 0.034 1.00 0.19 H new ATOM 0 HB2 CYS A 58 0.408 2.342 1.000 1.00 0.23 H new ATOM 0 HB3 CYS A 58 0.119 3.044 -0.580 1.00 0.23 H new ATOM 0 HG CYS A 58 -2.558 2.140 -0.726 1.00 0.27 H new ATOM 949 N VAL A 59 0.172 1.421 -2.971 1.00 0.19 N ATOM 950 CA VAL A 59 -0.385 1.312 -4.316 1.00 0.22 C ATOM 951 C VAL A 59 -0.232 -0.104 -4.863 1.00 0.20 C ATOM 952 O VAL A 59 -1.133 -0.624 -5.514 1.00 0.22 O ATOM 953 CB VAL A 59 0.275 2.319 -5.287 1.00 0.25 C ATOM 954 CG1 VAL A 59 -0.158 2.072 -6.725 1.00 0.29 C ATOM 955 CG2 VAL A 59 -0.065 3.741 -4.879 1.00 0.29 C ATOM 0 H VAL A 59 0.945 2.081 -2.889 1.00 0.19 H new ATOM 0 HA VAL A 59 -1.446 1.548 -4.240 1.00 0.22 H new ATOM 0 HB VAL A 59 1.354 2.177 -5.231 1.00 0.25 H new ATOM 0 HG11 VAL A 59 0.325 2.797 -7.380 1.00 0.29 H new ATOM 0 HG12 VAL A 59 0.131 1.064 -7.024 1.00 0.29 H new ATOM 0 HG13 VAL A 59 -1.240 2.177 -6.802 1.00 0.29 H new ATOM 0 HG21 VAL A 59 0.405 4.440 -5.570 1.00 0.29 H new ATOM 0 HG22 VAL A 59 -1.146 3.878 -4.904 1.00 0.29 H new ATOM 0 HG23 VAL A 59 0.301 3.927 -3.869 1.00 0.29 H new ATOM 965 N ALA A 60 0.897 -0.735 -4.574 1.00 0.18 N ATOM 966 CA ALA A 60 1.158 -2.082 -5.065 1.00 0.21 C ATOM 967 C ALA A 60 0.190 -3.094 -4.464 1.00 0.17 C ATOM 968 O ALA A 60 -0.118 -4.112 -5.090 1.00 0.17 O ATOM 969 CB ALA A 60 2.598 -2.484 -4.786 1.00 0.28 C ATOM 0 H ALA A 60 1.645 -0.339 -4.004 1.00 0.18 H new ATOM 0 HA ALA A 60 1.002 -2.077 -6.144 1.00 0.21 H new ATOM 0 HB1 ALA A 60 2.773 -3.493 -5.160 1.00 0.28 H new ATOM 0 HB2 ALA A 60 3.273 -1.789 -5.286 1.00 0.28 H new ATOM 0 HB3 ALA A 60 2.781 -2.458 -3.712 1.00 0.28 H new ATOM 975 N ALA A 61 -0.303 -2.823 -3.257 1.00 0.16 N ATOM 976 CA ALA A 61 -1.303 -3.680 -2.659 1.00 0.16 C ATOM 977 C ALA A 61 -2.646 -3.433 -3.330 1.00 0.14 C ATOM 978 O ALA A 61 -3.442 -4.357 -3.519 1.00 0.15 O ATOM 979 CB ALA A 61 -1.380 -3.452 -1.162 1.00 0.20 C ATOM 0 H ALA A 61 -0.025 -2.025 -2.686 1.00 0.16 H new ATOM 0 HA ALA A 61 -1.024 -4.723 -2.812 1.00 0.16 H new ATOM 0 HB1 ALA A 61 -2.138 -4.107 -0.733 1.00 0.20 H new ATOM 0 HB2 ALA A 61 -0.413 -3.672 -0.710 1.00 0.20 H new ATOM 0 HB3 ALA A 61 -1.644 -2.413 -0.965 1.00 0.20 H new ATOM 985 N PHE A 62 -2.874 -2.177 -3.715 1.00 0.14 N ATOM 986 CA PHE A 62 -4.044 -1.812 -4.500 1.00 0.15 C ATOM 987 C PHE A 62 -4.045 -2.563 -5.826 1.00 0.15 C ATOM 988 O PHE A 62 -5.037 -3.191 -6.189 1.00 0.16 O ATOM 989 CB PHE A 62 -4.074 -0.307 -4.786 1.00 0.17 C ATOM 990 CG PHE A 62 -4.509 0.561 -3.636 1.00 0.19 C ATOM 991 CD1 PHE A 62 -5.665 0.266 -2.924 1.00 0.21 C ATOM 992 CD2 PHE A 62 -3.747 1.645 -3.242 1.00 0.20 C ATOM 993 CE1 PHE A 62 -6.048 1.040 -1.843 1.00 0.23 C ATOM 994 CE2 PHE A 62 -4.129 2.425 -2.166 1.00 0.23 C ATOM 995 CZ PHE A 62 -5.351 2.209 -1.559 1.00 0.24 C ATOM 0 H PHE A 62 -2.258 -1.395 -3.493 1.00 0.14 H new ATOM 0 HA PHE A 62 -4.926 -2.080 -3.918 1.00 0.15 H new ATOM 0 HB2 PHE A 62 -3.078 0.006 -5.099 1.00 0.17 H new ATOM 0 HB3 PHE A 62 -4.743 -0.128 -5.628 1.00 0.17 H new ATOM 0 HD1 PHE A 62 -6.272 -0.578 -3.218 1.00 0.21 H new ATOM 0 HD2 PHE A 62 -2.843 1.886 -3.781 1.00 0.20 H new ATOM 0 HE1 PHE A 62 -6.881 0.739 -1.225 1.00 0.23 H new ATOM 0 HE2 PHE A 62 -3.473 3.202 -1.801 1.00 0.23 H new ATOM 0 HZ PHE A 62 -5.759 2.937 -0.874 1.00 0.24 H new ATOM 1005 N GLU A 63 -2.913 -2.501 -6.534 1.00 0.16 N ATOM 1006 CA GLU A 63 -2.765 -3.153 -7.836 1.00 0.19 C ATOM 1007 C GLU A 63 -3.083 -4.637 -7.737 1.00 0.19 C ATOM 1008 O GLU A 63 -3.635 -5.233 -8.661 1.00 0.24 O ATOM 1009 CB GLU A 63 -1.339 -2.993 -8.373 1.00 0.22 C ATOM 1010 CG GLU A 63 -0.845 -1.560 -8.414 1.00 0.29 C ATOM 1011 CD GLU A 63 0.410 -1.409 -9.250 1.00 1.16 C ATOM 1012 OE1 GLU A 63 0.288 -1.184 -10.473 1.00 1.98 O ATOM 1013 OE2 GLU A 63 1.521 -1.525 -8.693 1.00 1.58 O ATOM 0 H GLU A 63 -2.080 -2.001 -6.223 1.00 0.16 H new ATOM 0 HA GLU A 63 -3.466 -2.672 -8.518 1.00 0.19 H new ATOM 0 HB2 GLU A 63 -0.662 -3.581 -7.753 1.00 0.22 H new ATOM 0 HB3 GLU A 63 -1.293 -3.410 -9.379 1.00 0.22 H new ATOM 0 HG2 GLU A 63 -1.628 -0.919 -8.819 1.00 0.29 H new ATOM 0 HG3 GLU A 63 -0.646 -1.217 -7.399 1.00 0.29 H new ATOM 1020 N HIS A 64 -2.729 -5.224 -6.605 1.00 0.17 N ATOM 1021 CA HIS A 64 -2.914 -6.649 -6.390 1.00 0.19 C ATOM 1022 C HIS A 64 -4.393 -6.977 -6.215 1.00 0.19 C ATOM 1023 O HIS A 64 -4.934 -7.858 -6.889 1.00 0.24 O ATOM 1024 CB HIS A 64 -2.124 -7.093 -5.156 1.00 0.20 C ATOM 1025 CG HIS A 64 -2.109 -8.576 -4.943 1.00 0.58 C ATOM 1026 ND1 HIS A 64 -2.421 -9.168 -3.737 1.00 1.50 N ATOM 1027 CD2 HIS A 64 -1.799 -9.591 -5.786 1.00 1.13 C ATOM 1028 CE1 HIS A 64 -2.303 -10.477 -3.849 1.00 1.68 C ATOM 1029 NE2 HIS A 64 -1.929 -10.757 -5.080 1.00 1.33 N ATOM 0 H HIS A 64 -2.309 -4.731 -5.817 1.00 0.17 H new ATOM 0 HA HIS A 64 -2.545 -7.187 -7.263 1.00 0.19 H new ATOM 0 HB2 HIS A 64 -1.097 -6.739 -5.248 1.00 0.20 H new ATOM 0 HB3 HIS A 64 -2.548 -6.614 -4.274 1.00 0.20 H new ATOM 0 HD2 HIS A 64 -1.505 -9.498 -6.821 1.00 1.13 H new ATOM 0 HE1 HIS A 64 -2.483 -11.197 -3.064 1.00 1.68 H new ATOM 0 HE2 HIS A 64 -1.763 -11.693 -5.449 1.00 1.33 H new ATOM 1038 N ALA A 65 -5.048 -6.257 -5.318 1.00 0.15 N ATOM 1039 CA ALA A 65 -6.444 -6.518 -5.017 1.00 0.16 C ATOM 1040 C ALA A 65 -7.351 -6.087 -6.162 1.00 0.15 C ATOM 1041 O ALA A 65 -8.204 -6.858 -6.586 1.00 0.17 O ATOM 1042 CB ALA A 65 -6.849 -5.830 -3.731 1.00 0.20 C ATOM 0 H ALA A 65 -4.635 -5.490 -4.788 1.00 0.15 H new ATOM 0 HA ALA A 65 -6.560 -7.594 -4.888 1.00 0.16 H new ATOM 0 HB1 ALA A 65 -7.899 -6.037 -3.522 1.00 0.20 H new ATOM 0 HB2 ALA A 65 -6.235 -6.202 -2.910 1.00 0.20 H new ATOM 0 HB3 ALA A 65 -6.705 -4.754 -3.833 1.00 0.20 H new ATOM 1048 N SER A 66 -7.160 -4.866 -6.660 1.00 0.16 N ATOM 1049 CA SER A 66 -7.958 -4.351 -7.772 1.00 0.20 C ATOM 1050 C SER A 66 -7.951 -5.314 -8.959 1.00 0.24 C ATOM 1051 O SER A 66 -8.988 -5.555 -9.579 1.00 0.31 O ATOM 1052 CB SER A 66 -7.438 -2.979 -8.215 1.00 0.24 C ATOM 1053 OG SER A 66 -8.193 -2.469 -9.299 1.00 1.21 O ATOM 0 H SER A 66 -6.458 -4.214 -6.310 1.00 0.16 H new ATOM 0 HA SER A 66 -8.985 -4.251 -7.420 1.00 0.20 H new ATOM 0 HB2 SER A 66 -7.483 -2.283 -7.378 1.00 0.24 H new ATOM 0 HB3 SER A 66 -6.390 -3.061 -8.505 1.00 0.24 H new ATOM 0 HG SER A 66 -7.840 -1.593 -9.560 1.00 1.21 H new ATOM 1059 N SER A 67 -6.786 -5.881 -9.251 1.00 0.25 N ATOM 1060 CA SER A 67 -6.642 -6.794 -10.376 1.00 0.33 C ATOM 1061 C SER A 67 -7.516 -8.035 -10.176 1.00 0.34 C ATOM 1062 O SER A 67 -8.120 -8.540 -11.122 1.00 0.44 O ATOM 1063 CB SER A 67 -5.170 -7.193 -10.537 1.00 0.39 C ATOM 1064 OG SER A 67 -4.916 -7.747 -11.818 1.00 1.20 O ATOM 0 H SER A 67 -5.928 -5.724 -8.723 1.00 0.25 H new ATOM 0 HA SER A 67 -6.972 -6.289 -11.284 1.00 0.33 H new ATOM 0 HB2 SER A 67 -4.537 -6.319 -10.386 1.00 0.39 H new ATOM 0 HB3 SER A 67 -4.902 -7.917 -9.767 1.00 0.39 H new ATOM 0 HG SER A 67 -3.969 -7.989 -11.888 1.00 1.20 H new ATOM 1070 N HIS A 68 -7.604 -8.503 -8.935 1.00 0.29 N ATOM 1071 CA HIS A 68 -8.381 -9.699 -8.619 1.00 0.35 C ATOM 1072 C HIS A 68 -9.793 -9.316 -8.159 1.00 0.37 C ATOM 1073 O HIS A 68 -10.583 -10.171 -7.761 1.00 0.44 O ATOM 1074 CB HIS A 68 -7.663 -10.506 -7.531 1.00 0.37 C ATOM 1075 CG HIS A 68 -8.103 -11.937 -7.432 1.00 0.48 C ATOM 1076 ND1 HIS A 68 -7.493 -12.952 -8.130 1.00 1.25 N ATOM 1077 CD2 HIS A 68 -9.088 -12.519 -6.710 1.00 1.16 C ATOM 1078 CE1 HIS A 68 -8.085 -14.096 -7.847 1.00 1.03 C ATOM 1079 NE2 HIS A 68 -9.057 -13.862 -6.986 1.00 0.82 N ATOM 0 H HIS A 68 -7.147 -8.073 -8.131 1.00 0.29 H new ATOM 0 HA HIS A 68 -8.471 -10.312 -9.516 1.00 0.35 H new ATOM 0 HB2 HIS A 68 -6.591 -10.480 -7.724 1.00 0.37 H new ATOM 0 HB3 HIS A 68 -7.825 -10.021 -6.569 1.00 0.37 H new ATOM 0 HD2 HIS A 68 -9.772 -12.019 -6.040 1.00 1.16 H new ATOM 0 HE1 HIS A 68 -7.819 -15.061 -8.252 1.00 1.03 H new ATOM 0 HE2 HIS A 68 -9.682 -14.564 -6.591 1.00 0.82 H new ATOM 1088 N SER A 69 -10.093 -8.025 -8.228 1.00 0.33 N ATOM 1089 CA SER A 69 -11.369 -7.483 -7.761 1.00 0.37 C ATOM 1090 C SER A 69 -11.592 -7.800 -6.281 1.00 0.34 C ATOM 1091 O SER A 69 -12.625 -8.343 -5.884 1.00 0.54 O ATOM 1092 CB SER A 69 -12.523 -8.002 -8.623 1.00 0.47 C ATOM 1093 OG SER A 69 -12.397 -7.528 -9.954 1.00 1.12 O ATOM 0 H SER A 69 -9.460 -7.322 -8.609 1.00 0.33 H new ATOM 0 HA SER A 69 -11.337 -6.398 -7.862 1.00 0.37 H new ATOM 0 HB2 SER A 69 -12.528 -9.092 -8.617 1.00 0.47 H new ATOM 0 HB3 SER A 69 -13.475 -7.676 -8.203 1.00 0.47 H new ATOM 0 HG SER A 69 -13.140 -7.869 -10.494 1.00 1.12 H new ATOM 1099 N ILE A 70 -10.596 -7.462 -5.481 1.00 0.22 N ATOM 1100 CA ILE A 70 -10.660 -7.613 -4.036 1.00 0.21 C ATOM 1101 C ILE A 70 -10.818 -6.236 -3.399 1.00 0.19 C ATOM 1102 O ILE A 70 -10.365 -5.241 -3.962 1.00 0.20 O ATOM 1103 CB ILE A 70 -9.377 -8.300 -3.496 1.00 0.23 C ATOM 1104 CG1 ILE A 70 -9.159 -9.637 -4.206 1.00 0.30 C ATOM 1105 CG2 ILE A 70 -9.455 -8.509 -1.987 1.00 0.27 C ATOM 1106 CD1 ILE A 70 -7.888 -10.351 -3.792 1.00 0.36 C ATOM 0 H ILE A 70 -9.715 -7.073 -5.816 1.00 0.22 H new ATOM 0 HA ILE A 70 -11.514 -8.241 -3.782 1.00 0.21 H new ATOM 0 HB ILE A 70 -8.530 -7.645 -3.700 1.00 0.23 H new ATOM 0 HG12 ILE A 70 -10.011 -10.287 -4.006 1.00 0.30 H new ATOM 0 HG13 ILE A 70 -9.134 -9.466 -5.282 1.00 0.30 H new ATOM 0 HG21 ILE A 70 -8.542 -8.992 -1.639 1.00 0.27 H new ATOM 0 HG22 ILE A 70 -9.567 -7.545 -1.491 1.00 0.27 H new ATOM 0 HG23 ILE A 70 -10.312 -9.140 -1.751 1.00 0.27 H new ATOM 0 HD11 ILE A 70 -7.804 -11.290 -4.338 1.00 0.36 H new ATOM 0 HD12 ILE A 70 -7.027 -9.722 -4.018 1.00 0.36 H new ATOM 0 HD13 ILE A 70 -7.917 -10.555 -2.722 1.00 0.36 H new ATOM 1118 N SER A 71 -11.451 -6.169 -2.237 1.00 0.19 N ATOM 1119 CA SER A 71 -11.639 -4.901 -1.555 1.00 0.19 C ATOM 1120 C SER A 71 -10.471 -4.660 -0.608 1.00 0.17 C ATOM 1121 O SER A 71 -9.734 -5.585 -0.286 1.00 0.19 O ATOM 1122 CB SER A 71 -12.963 -4.907 -0.792 1.00 0.23 C ATOM 1123 OG SER A 71 -14.045 -5.200 -1.665 1.00 1.01 O ATOM 0 H SER A 71 -11.841 -6.976 -1.750 1.00 0.19 H new ATOM 0 HA SER A 71 -11.673 -4.094 -2.287 1.00 0.19 H new ATOM 0 HB2 SER A 71 -12.924 -5.647 0.008 1.00 0.23 H new ATOM 0 HB3 SER A 71 -13.122 -3.937 -0.321 1.00 0.23 H new ATOM 0 HG SER A 71 -14.884 -5.201 -1.158 1.00 1.01 H new ATOM 1129 N ILE A 72 -10.294 -3.422 -0.177 1.00 0.15 N ATOM 1130 CA ILE A 72 -9.124 -3.039 0.604 1.00 0.14 C ATOM 1131 C ILE A 72 -9.507 -2.047 1.705 1.00 0.14 C ATOM 1132 O ILE A 72 -10.492 -1.319 1.585 1.00 0.16 O ATOM 1133 CB ILE A 72 -8.047 -2.404 -0.329 1.00 0.14 C ATOM 1134 CG1 ILE A 72 -7.476 -3.455 -1.282 1.00 0.16 C ATOM 1135 CG2 ILE A 72 -6.920 -1.734 0.446 1.00 0.14 C ATOM 1136 CD1 ILE A 72 -6.287 -2.967 -2.082 1.00 0.20 C ATOM 0 H ILE A 72 -10.948 -2.660 -0.355 1.00 0.15 H new ATOM 0 HA ILE A 72 -8.715 -3.934 1.072 1.00 0.14 H new ATOM 0 HB ILE A 72 -8.550 -1.626 -0.904 1.00 0.14 H new ATOM 0 HG12 ILE A 72 -7.181 -4.332 -0.707 1.00 0.16 H new ATOM 0 HG13 ILE A 72 -8.260 -3.774 -1.969 1.00 0.16 H new ATOM 0 HG21 ILE A 72 -6.200 -1.310 -0.253 1.00 0.14 H new ATOM 0 HG22 ILE A 72 -7.330 -0.941 1.071 1.00 0.14 H new ATOM 0 HG23 ILE A 72 -6.423 -2.472 1.076 1.00 0.14 H new ATOM 0 HD11 ILE A 72 -5.936 -3.766 -2.736 1.00 0.20 H new ATOM 0 HD12 ILE A 72 -6.582 -2.108 -2.685 1.00 0.20 H new ATOM 0 HD13 ILE A 72 -5.486 -2.676 -1.402 1.00 0.20 H new ATOM 1148 N ILE A 73 -8.742 -2.062 2.785 1.00 0.13 N ATOM 1149 CA ILE A 73 -8.833 -1.066 3.843 1.00 0.13 C ATOM 1150 C ILE A 73 -7.420 -0.690 4.261 1.00 0.13 C ATOM 1151 O ILE A 73 -6.736 -1.467 4.912 1.00 0.13 O ATOM 1152 CB ILE A 73 -9.610 -1.590 5.076 1.00 0.14 C ATOM 1153 CG1 ILE A 73 -11.097 -1.770 4.748 1.00 0.19 C ATOM 1154 CG2 ILE A 73 -9.429 -0.654 6.268 1.00 0.15 C ATOM 1155 CD1 ILE A 73 -11.820 -0.475 4.444 1.00 0.24 C ATOM 0 H ILE A 73 -8.032 -2.774 2.954 1.00 0.13 H new ATOM 0 HA ILE A 73 -9.378 -0.203 3.460 1.00 0.13 H new ATOM 0 HB ILE A 73 -9.202 -2.565 5.344 1.00 0.14 H new ATOM 0 HG12 ILE A 73 -11.192 -2.437 3.891 1.00 0.19 H new ATOM 0 HG13 ILE A 73 -11.588 -2.260 5.589 1.00 0.19 H new ATOM 0 HG21 ILE A 73 -9.983 -1.042 7.123 1.00 0.15 H new ATOM 0 HG22 ILE A 73 -8.371 -0.588 6.522 1.00 0.15 H new ATOM 0 HG23 ILE A 73 -9.803 0.337 6.012 1.00 0.15 H new ATOM 0 HD11 ILE A 73 -12.866 -0.686 4.222 1.00 0.24 H new ATOM 0 HD12 ILE A 73 -11.759 0.187 5.307 1.00 0.24 H new ATOM 0 HD13 ILE A 73 -11.356 0.007 3.583 1.00 0.24 H new ATOM 1167 N PRO A 74 -6.935 0.474 3.844 1.00 0.17 N ATOM 1168 CA PRO A 74 -5.571 0.889 4.111 1.00 0.18 C ATOM 1169 C PRO A 74 -5.409 1.597 5.452 1.00 0.17 C ATOM 1170 O PRO A 74 -5.765 2.763 5.589 1.00 0.19 O ATOM 1171 CB PRO A 74 -5.259 1.851 2.952 1.00 0.23 C ATOM 1172 CG PRO A 74 -6.547 2.038 2.199 1.00 0.31 C ATOM 1173 CD PRO A 74 -7.644 1.478 3.062 1.00 0.23 C ATOM 0 HA PRO A 74 -4.899 0.033 4.173 1.00 0.18 H new ATOM 0 HB2 PRO A 74 -4.887 2.804 3.328 1.00 0.23 H new ATOM 0 HB3 PRO A 74 -4.486 1.440 2.303 1.00 0.23 H new ATOM 0 HG2 PRO A 74 -6.722 3.093 1.989 1.00 0.31 H new ATOM 0 HG3 PRO A 74 -6.511 1.524 1.239 1.00 0.31 H new ATOM 0 HD2 PRO A 74 -8.096 2.243 3.694 1.00 0.23 H new ATOM 0 HD3 PRO A 74 -8.446 1.040 2.468 1.00 0.23 H new ATOM 1181 N SER A 75 -4.873 0.880 6.438 1.00 0.16 N ATOM 1182 CA SER A 75 -4.466 1.485 7.707 1.00 0.17 C ATOM 1183 C SER A 75 -3.295 2.442 7.456 1.00 0.16 C ATOM 1184 O SER A 75 -2.970 3.305 8.267 1.00 0.20 O ATOM 1185 CB SER A 75 -4.075 0.388 8.701 1.00 0.20 C ATOM 1186 OG SER A 75 -5.155 -0.512 8.912 1.00 1.19 O ATOM 0 H SER A 75 -4.709 -0.125 6.383 1.00 0.16 H new ATOM 0 HA SER A 75 -5.295 2.050 8.134 1.00 0.17 H new ATOM 0 HB2 SER A 75 -3.210 -0.158 8.325 1.00 0.20 H new ATOM 0 HB3 SER A 75 -3.781 0.838 9.649 1.00 0.20 H new ATOM 0 HG SER A 75 -5.250 -1.097 8.132 1.00 1.19 H new ATOM 1192 N CYS A 76 -2.683 2.246 6.297 1.00 0.17 N ATOM 1193 CA CYS A 76 -1.694 3.143 5.694 1.00 0.17 C ATOM 1194 C CYS A 76 -2.285 4.503 5.324 1.00 0.16 C ATOM 1195 O CYS A 76 -1.762 5.168 4.432 1.00 0.20 O ATOM 1196 CB CYS A 76 -1.030 2.506 4.484 1.00 0.25 C ATOM 1197 SG CYS A 76 -0.298 0.911 4.862 1.00 0.90 S ATOM 0 H CYS A 76 -2.867 1.423 5.722 1.00 0.17 H new ATOM 0 HA CYS A 76 -0.934 3.315 6.456 1.00 0.17 H new ATOM 0 HB2 CYS A 76 -1.768 2.385 3.691 1.00 0.25 H new ATOM 0 HB3 CYS A 76 -0.259 3.175 4.103 1.00 0.25 H new ATOM 0 HG CYS A 76 -1.164 0.174 5.492 1.00 0.90 H new ATOM 1203 N SER A 77 -3.443 4.835 5.900 1.00 0.20 N ATOM 1204 CA SER A 77 -4.247 5.995 5.509 1.00 0.25 C ATOM 1205 C SER A 77 -3.449 7.307 5.366 1.00 0.24 C ATOM 1206 O SER A 77 -4.017 8.303 4.948 1.00 0.26 O ATOM 1207 CB SER A 77 -5.361 6.214 6.535 1.00 0.34 C ATOM 1208 OG SER A 77 -6.119 5.033 6.747 1.00 0.71 O ATOM 0 H SER A 77 -3.854 4.297 6.663 1.00 0.20 H new ATOM 0 HA SER A 77 -4.643 5.759 4.521 1.00 0.25 H new ATOM 0 HB2 SER A 77 -4.927 6.542 7.479 1.00 0.34 H new ATOM 0 HB3 SER A 77 -6.019 7.012 6.193 1.00 0.34 H new ATOM 0 HG SER A 77 -5.941 4.396 6.024 1.00 0.71 H new ATOM 1214 N TYR A 78 -2.159 7.324 5.709 1.00 0.23 N ATOM 1215 CA TYR A 78 -1.284 8.416 5.279 1.00 0.24 C ATOM 1216 C TYR A 78 -1.315 8.499 3.751 1.00 0.20 C ATOM 1217 O TYR A 78 -1.509 9.573 3.172 1.00 0.21 O ATOM 1218 CB TYR A 78 0.161 8.191 5.772 1.00 0.27 C ATOM 1219 CG TYR A 78 1.233 8.518 4.741 1.00 0.24 C ATOM 1220 CD1 TYR A 78 1.565 9.834 4.434 1.00 0.24 C ATOM 1221 CD2 TYR A 78 1.897 7.501 4.065 1.00 0.26 C ATOM 1222 CE1 TYR A 78 2.525 10.122 3.482 1.00 0.25 C ATOM 1223 CE2 TYR A 78 2.861 7.780 3.115 1.00 0.27 C ATOM 1224 CZ TYR A 78 3.169 9.093 2.824 1.00 0.25 C ATOM 1225 OH TYR A 78 4.123 9.375 1.869 1.00 0.30 O ATOM 0 H TYR A 78 -1.703 6.607 6.274 1.00 0.23 H new ATOM 0 HA TYR A 78 -1.640 9.352 5.709 1.00 0.24 H new ATOM 0 HB2 TYR A 78 0.329 8.801 6.659 1.00 0.27 H new ATOM 0 HB3 TYR A 78 0.271 7.150 6.076 1.00 0.27 H new ATOM 0 HD1 TYR A 78 1.065 10.642 4.947 1.00 0.24 H new ATOM 0 HD2 TYR A 78 1.655 6.472 4.287 1.00 0.26 H new ATOM 0 HE1 TYR A 78 2.771 11.149 3.254 1.00 0.25 H new ATOM 0 HE2 TYR A 78 3.370 6.976 2.604 1.00 0.27 H new ATOM 0 HH TYR A 78 4.565 10.222 2.088 1.00 0.30 H new ATOM 1235 N VAL A 79 -1.135 7.343 3.114 1.00 0.18 N ATOM 1236 CA VAL A 79 -1.223 7.221 1.670 1.00 0.17 C ATOM 1237 C VAL A 79 -2.629 7.560 1.216 1.00 0.18 C ATOM 1238 O VAL A 79 -2.827 8.339 0.295 1.00 0.19 O ATOM 1239 CB VAL A 79 -0.901 5.785 1.203 1.00 0.18 C ATOM 1240 CG1 VAL A 79 -0.969 5.686 -0.314 1.00 0.20 C ATOM 1241 CG2 VAL A 79 0.457 5.330 1.717 1.00 0.18 C ATOM 0 H VAL A 79 -0.924 6.466 3.591 1.00 0.18 H new ATOM 0 HA VAL A 79 -0.496 7.908 1.237 1.00 0.17 H new ATOM 0 HB VAL A 79 -1.654 5.118 1.623 1.00 0.18 H new ATOM 0 HG11 VAL A 79 -0.739 4.666 -0.623 1.00 0.20 H new ATOM 0 HG12 VAL A 79 -1.971 5.950 -0.651 1.00 0.20 H new ATOM 0 HG13 VAL A 79 -0.245 6.371 -0.756 1.00 0.20 H new ATOM 0 HG21 VAL A 79 0.655 4.315 1.372 1.00 0.18 H new ATOM 0 HG22 VAL A 79 1.231 5.999 1.341 1.00 0.18 H new ATOM 0 HG23 VAL A 79 0.459 5.349 2.807 1.00 0.18 H new ATOM 1251 N SER A 80 -3.604 6.983 1.896 1.00 0.20 N ATOM 1252 CA SER A 80 -5.005 7.168 1.534 1.00 0.25 C ATOM 1253 C SER A 80 -5.385 8.645 1.593 1.00 0.23 C ATOM 1254 O SER A 80 -6.073 9.165 0.720 1.00 0.23 O ATOM 1255 CB SER A 80 -5.887 6.363 2.485 1.00 0.36 C ATOM 1256 OG SER A 80 -5.388 5.045 2.633 1.00 0.99 O ATOM 0 H SER A 80 -3.454 6.380 2.705 1.00 0.20 H new ATOM 0 HA SER A 80 -5.155 6.816 0.513 1.00 0.25 H new ATOM 0 HB2 SER A 80 -5.926 6.854 3.457 1.00 0.36 H new ATOM 0 HB3 SER A 80 -6.908 6.331 2.103 1.00 0.36 H new ATOM 0 HG SER A 80 -5.256 4.644 1.749 1.00 0.99 H new ATOM 1262 N ASP A 81 -4.882 9.295 2.622 1.00 0.24 N ATOM 1263 CA ASP A 81 -5.171 10.694 2.916 1.00 0.25 C ATOM 1264 C ASP A 81 -4.751 11.598 1.766 1.00 0.25 C ATOM 1265 O ASP A 81 -5.555 12.358 1.241 1.00 0.27 O ATOM 1266 CB ASP A 81 -4.414 11.089 4.202 1.00 0.31 C ATOM 1267 CG ASP A 81 -4.299 12.587 4.453 1.00 0.38 C ATOM 1268 OD1 ASP A 81 -3.473 13.247 3.792 1.00 0.47 O ATOM 1269 OD2 ASP A 81 -4.990 13.097 5.359 1.00 0.48 O ATOM 0 H ASP A 81 -4.248 8.862 3.294 1.00 0.24 H new ATOM 0 HA ASP A 81 -6.245 10.816 3.054 1.00 0.25 H new ATOM 0 HB2 ASP A 81 -4.916 10.631 5.055 1.00 0.31 H new ATOM 0 HB3 ASP A 81 -3.410 10.666 4.158 1.00 0.31 H new ATOM 1274 N THR A 82 -3.474 11.548 1.423 1.00 0.23 N ATOM 1275 CA THR A 82 -2.927 12.417 0.388 1.00 0.25 C ATOM 1276 C THR A 82 -2.997 11.794 -1.020 1.00 0.22 C ATOM 1277 O THR A 82 -3.462 12.422 -1.975 1.00 0.23 O ATOM 1278 CB THR A 82 -1.478 12.845 0.735 1.00 0.28 C ATOM 1279 OG1 THR A 82 -0.994 13.799 -0.217 1.00 0.31 O ATOM 1280 CG2 THR A 82 -0.528 11.657 0.796 1.00 0.26 C ATOM 0 H THR A 82 -2.795 10.915 1.845 1.00 0.23 H new ATOM 0 HA THR A 82 -3.558 13.306 0.363 1.00 0.25 H new ATOM 0 HB THR A 82 -1.510 13.300 1.725 1.00 0.28 H new ATOM 0 HG1 THR A 82 -0.079 14.060 0.017 1.00 0.31 H new ATOM 0 HG21 THR A 82 0.475 12.005 1.042 1.00 0.26 H new ATOM 0 HG22 THR A 82 -0.867 10.959 1.561 1.00 0.26 H new ATOM 0 HG23 THR A 82 -0.511 11.155 -0.171 1.00 0.26 H new ATOM 1288 N PHE A 83 -2.537 10.556 -1.136 1.00 0.19 N ATOM 1289 CA PHE A 83 -2.286 9.936 -2.431 1.00 0.19 C ATOM 1290 C PHE A 83 -3.569 9.524 -3.137 1.00 0.19 C ATOM 1291 O PHE A 83 -3.639 9.553 -4.364 1.00 0.21 O ATOM 1292 CB PHE A 83 -1.378 8.723 -2.259 1.00 0.18 C ATOM 1293 CG PHE A 83 -0.433 8.509 -3.406 1.00 0.80 C ATOM 1294 CD1 PHE A 83 0.133 9.591 -4.060 1.00 0.81 C ATOM 1295 CD2 PHE A 83 -0.115 7.232 -3.834 1.00 1.54 C ATOM 1296 CE1 PHE A 83 1.002 9.404 -5.117 1.00 1.50 C ATOM 1297 CE2 PHE A 83 0.753 7.037 -4.892 1.00 2.25 C ATOM 1298 CZ PHE A 83 1.311 8.124 -5.534 1.00 2.24 C ATOM 0 H PHE A 83 -2.328 9.955 -0.339 1.00 0.19 H new ATOM 0 HA PHE A 83 -1.797 10.682 -3.057 1.00 0.19 H new ATOM 0 HB2 PHE A 83 -0.801 8.839 -1.341 1.00 0.18 H new ATOM 0 HB3 PHE A 83 -1.995 7.833 -2.137 1.00 0.18 H new ATOM 0 HD1 PHE A 83 -0.108 10.594 -3.739 1.00 0.81 H new ATOM 0 HD2 PHE A 83 -0.550 6.378 -3.336 1.00 1.54 H new ATOM 0 HE1 PHE A 83 1.439 10.256 -5.616 1.00 1.50 H new ATOM 0 HE2 PHE A 83 0.994 6.035 -5.216 1.00 2.25 H new ATOM 0 HZ PHE A 83 1.989 7.974 -6.362 1.00 2.24 H new ATOM 1308 N LEU A 84 -4.577 9.125 -2.376 1.00 0.18 N ATOM 1309 CA LEU A 84 -5.828 8.676 -2.985 1.00 0.19 C ATOM 1310 C LEU A 84 -6.629 9.820 -3.611 1.00 0.22 C ATOM 1311 O LEU A 84 -7.227 9.635 -4.667 1.00 0.26 O ATOM 1312 CB LEU A 84 -6.671 7.892 -1.991 1.00 0.20 C ATOM 1313 CG LEU A 84 -6.197 6.454 -1.781 1.00 0.25 C ATOM 1314 CD1 LEU A 84 -7.050 5.746 -0.755 1.00 0.35 C ATOM 1315 CD2 LEU A 84 -6.218 5.695 -3.095 1.00 0.34 C ATOM 0 H LEU A 84 -4.560 9.101 -1.356 1.00 0.18 H new ATOM 0 HA LEU A 84 -5.554 8.009 -3.802 1.00 0.19 H new ATOM 0 HB2 LEU A 84 -6.663 8.411 -1.033 1.00 0.20 H new ATOM 0 HB3 LEU A 84 -7.705 7.877 -2.337 1.00 0.20 H new ATOM 0 HG LEU A 84 -5.173 6.486 -1.408 1.00 0.25 H new ATOM 0 HD11 LEU A 84 -6.691 4.725 -0.625 1.00 0.35 H new ATOM 0 HD12 LEU A 84 -6.990 6.275 0.196 1.00 0.35 H new ATOM 0 HD13 LEU A 84 -8.086 5.726 -1.094 1.00 0.35 H new ATOM 0 HD21 LEU A 84 -5.878 4.673 -2.930 1.00 0.34 H new ATOM 0 HD22 LEU A 84 -7.234 5.680 -3.491 1.00 0.34 H new ATOM 0 HD23 LEU A 84 -5.557 6.186 -3.810 1.00 0.34 H new ATOM 1327 N PRO A 85 -6.690 11.009 -2.980 1.00 0.22 N ATOM 1328 CA PRO A 85 -7.222 12.203 -3.641 1.00 0.26 C ATOM 1329 C PRO A 85 -6.463 12.512 -4.926 1.00 0.28 C ATOM 1330 O PRO A 85 -7.026 13.063 -5.874 1.00 0.33 O ATOM 1331 CB PRO A 85 -7.005 13.317 -2.620 1.00 0.28 C ATOM 1332 CG PRO A 85 -6.928 12.627 -1.312 1.00 0.30 C ATOM 1333 CD PRO A 85 -6.325 11.277 -1.581 1.00 0.22 C ATOM 0 HA PRO A 85 -8.266 12.081 -3.929 1.00 0.26 H new ATOM 0 HB2 PRO A 85 -6.090 13.871 -2.829 1.00 0.28 H new ATOM 0 HB3 PRO A 85 -7.824 14.036 -2.640 1.00 0.28 H new ATOM 0 HG2 PRO A 85 -6.316 13.193 -0.610 1.00 0.30 H new ATOM 0 HG3 PRO A 85 -7.918 12.529 -0.866 1.00 0.30 H new ATOM 0 HD2 PRO A 85 -5.244 11.286 -1.443 1.00 0.22 H new ATOM 0 HD3 PRO A 85 -6.726 10.518 -0.909 1.00 0.22 H new ATOM 1341 N ARG A 86 -5.182 12.155 -4.949 1.00 0.27 N ATOM 1342 CA ARG A 86 -4.380 12.312 -6.156 1.00 0.31 C ATOM 1343 C ARG A 86 -4.798 11.287 -7.202 1.00 0.35 C ATOM 1344 O ARG A 86 -5.100 11.631 -8.345 1.00 0.48 O ATOM 1345 CB ARG A 86 -2.879 12.167 -5.871 1.00 0.33 C ATOM 1346 CG ARG A 86 -2.039 12.348 -7.128 1.00 0.75 C ATOM 1347 CD ARG A 86 -0.546 12.361 -6.846 1.00 0.72 C ATOM 1348 NE ARG A 86 0.222 12.440 -8.090 1.00 1.43 N ATOM 1349 CZ ARG A 86 1.427 12.999 -8.204 1.00 1.69 C ATOM 1350 NH1 ARG A 86 2.040 13.511 -7.144 1.00 1.44 N ATOM 1351 NH2 ARG A 86 2.022 13.046 -9.389 1.00 2.56 N ATOM 0 H ARG A 86 -4.682 11.759 -4.153 1.00 0.27 H new ATOM 0 HA ARG A 86 -4.557 13.320 -6.532 1.00 0.31 H new ATOM 0 HB2 ARG A 86 -2.579 12.903 -5.125 1.00 0.33 H new ATOM 0 HB3 ARG A 86 -2.685 11.183 -5.444 1.00 0.33 H new ATOM 0 HG2 ARG A 86 -2.264 11.543 -7.828 1.00 0.75 H new ATOM 0 HG3 ARG A 86 -2.320 13.282 -7.615 1.00 0.75 H new ATOM 0 HD2 ARG A 86 -0.300 13.210 -6.208 1.00 0.72 H new ATOM 0 HD3 ARG A 86 -0.268 11.460 -6.299 1.00 0.72 H new ATOM 0 HE ARG A 86 -0.195 12.038 -8.930 1.00 1.43 H new ATOM 0 HH11 ARG A 86 1.589 13.479 -6.230 1.00 1.44 H new ATOM 0 HH12 ARG A 86 2.962 13.936 -7.244 1.00 1.44 H new ATOM 0 HH21 ARG A 86 1.558 12.655 -10.209 1.00 2.56 H new ATOM 0 HH22 ARG A 86 2.944 13.473 -9.480 1.00 2.56 H new ATOM 1365 N ASN A 87 -4.822 10.029 -6.794 1.00 0.30 N ATOM 1366 CA ASN A 87 -5.144 8.932 -7.691 1.00 0.37 C ATOM 1367 C ASN A 87 -6.371 8.178 -7.190 1.00 0.34 C ATOM 1368 O ASN A 87 -6.248 7.168 -6.495 1.00 0.35 O ATOM 1369 CB ASN A 87 -3.950 7.977 -7.796 1.00 0.50 C ATOM 1370 CG ASN A 87 -2.722 8.639 -8.393 1.00 0.95 C ATOM 1371 OD1 ASN A 87 -2.815 9.415 -9.344 1.00 1.78 O ATOM 1372 ND2 ASN A 87 -1.564 8.375 -7.810 1.00 1.22 N ATOM 0 H ASN A 87 -4.620 9.740 -5.837 1.00 0.30 H new ATOM 0 HA ASN A 87 -5.364 9.340 -8.677 1.00 0.37 H new ATOM 0 HB2 ASN A 87 -3.706 7.596 -6.804 1.00 0.50 H new ATOM 0 HB3 ASN A 87 -4.229 7.119 -8.408 1.00 0.50 H new ATOM 0 HD21 ASN A 87 -0.710 8.820 -8.147 1.00 1.22 H new ATOM 0 HD22 ASN A 87 -1.525 7.726 -7.024 1.00 1.22 H new ATOM 1379 N PRO A 88 -7.575 8.666 -7.525 1.00 0.38 N ATOM 1380 CA PRO A 88 -8.838 8.089 -7.058 1.00 0.42 C ATOM 1381 C PRO A 88 -9.205 6.823 -7.823 1.00 0.49 C ATOM 1382 O PRO A 88 -10.369 6.584 -8.141 1.00 0.89 O ATOM 1383 CB PRO A 88 -9.868 9.201 -7.329 1.00 0.53 C ATOM 1384 CG PRO A 88 -9.084 10.382 -7.802 1.00 0.51 C ATOM 1385 CD PRO A 88 -7.815 9.831 -8.377 1.00 0.46 C ATOM 0 HA PRO A 88 -8.788 7.789 -6.011 1.00 0.42 H new ATOM 0 HB2 PRO A 88 -10.592 8.887 -8.081 1.00 0.53 H new ATOM 0 HB3 PRO A 88 -10.429 9.441 -6.426 1.00 0.53 H new ATOM 0 HG2 PRO A 88 -9.640 10.945 -8.552 1.00 0.51 H new ATOM 0 HG3 PRO A 88 -8.875 11.066 -6.980 1.00 0.51 H new ATOM 0 HD2 PRO A 88 -7.929 9.553 -9.425 1.00 0.46 H new ATOM 0 HD3 PRO A 88 -6.997 10.550 -8.325 1.00 0.46 H new ATOM 1393 N SER A 89 -8.210 5.987 -8.070 1.00 0.30 N ATOM 1394 CA SER A 89 -8.387 4.813 -8.902 1.00 0.36 C ATOM 1395 C SER A 89 -8.715 3.609 -8.030 1.00 0.34 C ATOM 1396 O SER A 89 -9.073 2.538 -8.520 1.00 0.42 O ATOM 1397 CB SER A 89 -7.108 4.564 -9.710 1.00 0.44 C ATOM 1398 OG SER A 89 -7.317 3.628 -10.753 1.00 1.37 O ATOM 0 H SER A 89 -7.266 6.103 -7.702 1.00 0.30 H new ATOM 0 HA SER A 89 -9.214 4.973 -9.594 1.00 0.36 H new ATOM 0 HB2 SER A 89 -6.756 5.505 -10.132 1.00 0.44 H new ATOM 0 HB3 SER A 89 -6.324 4.199 -9.046 1.00 0.44 H new ATOM 0 HG SER A 89 -7.823 2.862 -10.409 1.00 1.37 H new ATOM 1404 N TRP A 90 -8.624 3.806 -6.722 1.00 0.30 N ATOM 1405 CA TRP A 90 -8.762 2.712 -5.783 1.00 0.28 C ATOM 1406 C TRP A 90 -9.994 2.914 -4.906 1.00 0.32 C ATOM 1407 O TRP A 90 -10.170 2.247 -3.886 1.00 0.33 O ATOM 1408 CB TRP A 90 -7.496 2.611 -4.935 1.00 0.29 C ATOM 1409 CG TRP A 90 -6.234 2.766 -5.739 1.00 0.30 C ATOM 1410 CD1 TRP A 90 -5.301 3.752 -5.608 1.00 0.35 C ATOM 1411 CD2 TRP A 90 -5.779 1.927 -6.811 1.00 0.30 C ATOM 1412 NE1 TRP A 90 -4.287 3.571 -6.514 1.00 0.38 N ATOM 1413 CE2 TRP A 90 -4.558 2.459 -7.267 1.00 0.35 C ATOM 1414 CE3 TRP A 90 -6.280 0.776 -7.426 1.00 0.29 C ATOM 1415 CZ2 TRP A 90 -3.834 1.882 -8.307 1.00 0.39 C ATOM 1416 CZ3 TRP A 90 -5.560 0.203 -8.458 1.00 0.34 C ATOM 1417 CH2 TRP A 90 -4.349 0.757 -8.888 1.00 0.38 C ATOM 0 H TRP A 90 -8.455 4.715 -6.291 1.00 0.30 H new ATOM 0 HA TRP A 90 -8.895 1.779 -6.330 1.00 0.28 H new ATOM 0 HB2 TRP A 90 -7.523 3.377 -4.160 1.00 0.29 H new ATOM 0 HB3 TRP A 90 -7.481 1.646 -4.429 1.00 0.29 H new ATOM 0 HD1 TRP A 90 -5.353 4.560 -4.893 1.00 0.35 H new ATOM 0 HE1 TRP A 90 -3.465 4.167 -6.611 1.00 0.38 H new ATOM 0 HE3 TRP A 90 -7.214 0.342 -7.101 1.00 0.29 H new ATOM 0 HZ2 TRP A 90 -2.900 2.308 -8.642 1.00 0.39 H new ATOM 0 HZ3 TRP A 90 -5.938 -0.686 -8.940 1.00 0.34 H new ATOM 0 HH2 TRP A 90 -3.810 0.286 -9.696 1.00 0.38 H new ATOM 1428 N LYS A 91 -10.845 3.842 -5.330 1.00 0.37 N ATOM 1429 CA LYS A 91 -12.114 4.105 -4.661 1.00 0.43 C ATOM 1430 C LYS A 91 -12.965 2.824 -4.582 1.00 0.41 C ATOM 1431 O LYS A 91 -13.453 2.487 -3.509 1.00 0.42 O ATOM 1432 CB LYS A 91 -12.865 5.231 -5.397 1.00 0.55 C ATOM 1433 CG LYS A 91 -13.983 5.901 -4.599 1.00 1.20 C ATOM 1434 CD LYS A 91 -15.184 4.987 -4.394 1.00 1.38 C ATOM 1435 CE LYS A 91 -16.332 5.703 -3.697 1.00 1.83 C ATOM 1436 NZ LYS A 91 -16.965 6.722 -4.576 1.00 2.61 N ATOM 0 H LYS A 91 -10.675 4.432 -6.145 1.00 0.37 H new ATOM 0 HA LYS A 91 -11.918 4.430 -3.639 1.00 0.43 H new ATOM 0 HB2 LYS A 91 -12.144 5.994 -5.692 1.00 0.55 H new ATOM 0 HB3 LYS A 91 -13.290 4.823 -6.314 1.00 0.55 H new ATOM 0 HG2 LYS A 91 -13.596 6.210 -3.628 1.00 1.20 H new ATOM 0 HG3 LYS A 91 -14.303 6.805 -5.117 1.00 1.20 H new ATOM 0 HD2 LYS A 91 -15.523 4.612 -5.360 1.00 1.38 H new ATOM 0 HD3 LYS A 91 -14.884 4.121 -3.803 1.00 1.38 H new ATOM 0 HE2 LYS A 91 -17.081 4.974 -3.389 1.00 1.83 H new ATOM 0 HE3 LYS A 91 -15.963 6.184 -2.791 1.00 1.83 H new ATOM 0 HZ1 LYS A 91 -17.832 7.078 -4.126 1.00 2.61 H new ATOM 0 HZ2 LYS A 91 -16.303 7.510 -4.726 1.00 2.61 H new ATOM 0 HZ3 LYS A 91 -17.203 6.291 -5.492 1.00 2.61 H new ATOM 1450 N PRO A 92 -13.150 2.078 -5.704 1.00 0.41 N ATOM 1451 CA PRO A 92 -13.952 0.837 -5.709 1.00 0.42 C ATOM 1452 C PRO A 92 -13.359 -0.295 -4.867 1.00 0.38 C ATOM 1453 O PRO A 92 -13.870 -1.418 -4.875 1.00 0.48 O ATOM 1454 CB PRO A 92 -13.979 0.426 -7.186 1.00 0.46 C ATOM 1455 CG PRO A 92 -13.619 1.656 -7.936 1.00 0.69 C ATOM 1456 CD PRO A 92 -12.650 2.383 -7.058 1.00 0.43 C ATOM 0 HA PRO A 92 -14.933 1.017 -5.269 1.00 0.42 H new ATOM 0 HB2 PRO A 92 -13.271 -0.378 -7.384 1.00 0.46 H new ATOM 0 HB3 PRO A 92 -14.965 0.062 -7.476 1.00 0.46 H new ATOM 0 HG2 PRO A 92 -13.171 1.413 -8.899 1.00 0.69 H new ATOM 0 HG3 PRO A 92 -14.500 2.265 -8.139 1.00 0.69 H new ATOM 0 HD2 PRO A 92 -11.629 2.030 -7.202 1.00 0.43 H new ATOM 0 HD3 PRO A 92 -12.648 3.455 -7.257 1.00 0.43 H new ATOM 1464 N LEU A 93 -12.285 -0.007 -4.153 1.00 0.30 N ATOM 1465 CA LEU A 93 -11.643 -1.003 -3.313 1.00 0.26 C ATOM 1466 C LEU A 93 -11.846 -0.669 -1.847 1.00 0.22 C ATOM 1467 O LEU A 93 -12.146 -1.543 -1.032 1.00 0.21 O ATOM 1468 CB LEU A 93 -10.149 -1.066 -3.613 1.00 0.25 C ATOM 1469 CG LEU A 93 -9.794 -1.221 -5.089 1.00 0.25 C ATOM 1470 CD1 LEU A 93 -8.291 -1.139 -5.281 1.00 0.26 C ATOM 1471 CD2 LEU A 93 -10.328 -2.535 -5.636 1.00 0.26 C ATOM 0 H LEU A 93 -11.838 0.910 -4.138 1.00 0.30 H new ATOM 0 HA LEU A 93 -12.095 -1.971 -3.527 1.00 0.26 H new ATOM 0 HB2 LEU A 93 -9.679 -0.158 -3.235 1.00 0.25 H new ATOM 0 HB3 LEU A 93 -9.718 -1.901 -3.061 1.00 0.25 H new ATOM 0 HG LEU A 93 -10.261 -0.406 -5.642 1.00 0.25 H new ATOM 0 HD11 LEU A 93 -8.053 -1.251 -6.339 1.00 0.26 H new ATOM 0 HD12 LEU A 93 -7.931 -0.172 -4.929 1.00 0.26 H new ATOM 0 HD13 LEU A 93 -7.808 -1.935 -4.714 1.00 0.26 H new ATOM 0 HD21 LEU A 93 -10.064 -2.625 -6.690 1.00 0.26 H new ATOM 0 HD22 LEU A 93 -9.891 -3.365 -5.080 1.00 0.26 H new ATOM 0 HD23 LEU A 93 -11.413 -2.559 -5.531 1.00 0.26 H new ATOM 1483 N ILE A 94 -11.681 0.602 -1.516 1.00 0.27 N ATOM 1484 CA ILE A 94 -11.726 1.038 -0.133 1.00 0.22 C ATOM 1485 C ILE A 94 -12.875 2.017 0.088 1.00 0.27 C ATOM 1486 O ILE A 94 -13.835 2.045 -0.679 1.00 0.36 O ATOM 1487 CB ILE A 94 -10.397 1.713 0.287 1.00 0.25 C ATOM 1488 CG1 ILE A 94 -10.273 3.115 -0.304 1.00 0.39 C ATOM 1489 CG2 ILE A 94 -9.213 0.872 -0.159 1.00 0.27 C ATOM 1490 CD1 ILE A 94 -9.389 4.011 0.525 1.00 0.75 C ATOM 0 H ILE A 94 -11.514 1.350 -2.189 1.00 0.27 H new ATOM 0 HA ILE A 94 -11.881 0.151 0.481 1.00 0.22 H new ATOM 0 HB ILE A 94 -10.400 1.794 1.374 1.00 0.25 H new ATOM 0 HG12 ILE A 94 -9.871 3.046 -1.315 1.00 0.39 H new ATOM 0 HG13 ILE A 94 -11.264 3.561 -0.385 1.00 0.39 H new ATOM 0 HG21 ILE A 94 -8.286 1.359 0.143 1.00 0.27 H new ATOM 0 HG22 ILE A 94 -9.272 -0.114 0.303 1.00 0.27 H new ATOM 0 HG23 ILE A 94 -9.230 0.766 -1.244 1.00 0.27 H new ATOM 0 HD11 ILE A 94 -9.333 4.996 0.062 1.00 0.75 H new ATOM 0 HD12 ILE A 94 -9.804 4.104 1.528 1.00 0.75 H new ATOM 0 HD13 ILE A 94 -8.389 3.581 0.585 1.00 0.75 H new ATOM 1502 N HIS A 95 -12.782 2.805 1.154 1.00 0.31 N ATOM 1503 CA HIS A 95 -13.734 3.877 1.393 1.00 0.43 C ATOM 1504 C HIS A 95 -13.576 4.982 0.335 1.00 0.39 C ATOM 1505 O HIS A 95 -14.449 5.126 -0.519 1.00 0.55 O ATOM 1506 CB HIS A 95 -13.580 4.416 2.815 1.00 0.64 C ATOM 1507 CG HIS A 95 -14.265 3.569 3.850 1.00 1.05 C ATOM 1508 ND1 HIS A 95 -14.727 4.067 5.051 1.00 2.01 N ATOM 1509 CD2 HIS A 95 -14.576 2.250 3.855 1.00 1.22 C ATOM 1510 CE1 HIS A 95 -15.289 3.092 5.743 1.00 2.24 C ATOM 1511 NE2 HIS A 95 -15.211 1.981 5.038 1.00 1.70 N ATOM 0 H HIS A 95 -12.056 2.719 1.865 1.00 0.31 H new ATOM 0 HA HIS A 95 -14.746 3.484 1.301 1.00 0.43 H new ATOM 0 HB2 HIS A 95 -12.519 4.486 3.057 1.00 0.64 H new ATOM 0 HB3 HIS A 95 -13.984 5.428 2.858 1.00 0.64 H new ATOM 0 HD2 HIS A 95 -14.362 1.540 3.069 1.00 1.22 H new ATOM 0 HE1 HIS A 95 -15.737 3.189 6.721 1.00 2.24 H new ATOM 0 HE2 HIS A 95 -15.566 1.069 5.327 1.00 1.70 H new ATOM 1520 N SER A 96 -12.483 5.771 0.396 1.00 0.41 N ATOM 1521 CA SER A 96 -12.132 6.685 -0.707 1.00 0.49 C ATOM 1522 C SER A 96 -10.871 7.499 -0.398 1.00 0.67 C ATOM 1523 O SER A 96 -10.136 7.875 -1.308 1.00 1.53 O ATOM 1524 CB SER A 96 -13.287 7.653 -1.004 1.00 0.51 C ATOM 1525 OG SER A 96 -13.014 8.454 -2.141 1.00 1.43 O ATOM 0 H SER A 96 -11.838 5.793 1.186 1.00 0.41 H new ATOM 0 HA SER A 96 -11.939 6.060 -1.579 1.00 0.49 H new ATOM 0 HB2 SER A 96 -14.204 7.087 -1.168 1.00 0.51 H new ATOM 0 HB3 SER A 96 -13.458 8.294 -0.139 1.00 0.51 H new ATOM 0 HG SER A 96 -13.768 9.058 -2.304 1.00 1.43 H new ATOM 1531 N GLU A 97 -10.624 7.749 0.883 1.00 0.58 N ATOM 1532 CA GLU A 97 -9.628 8.709 1.322 1.00 0.52 C ATOM 1533 C GLU A 97 -9.637 8.686 2.851 1.00 0.61 C ATOM 1534 O GLU A 97 -10.081 7.700 3.439 1.00 0.83 O ATOM 1535 CB GLU A 97 -10.007 10.092 0.775 1.00 0.47 C ATOM 1536 CG GLU A 97 -9.013 11.201 1.043 1.00 1.09 C ATOM 1537 CD GLU A 97 -9.692 12.546 1.000 1.00 1.52 C ATOM 1538 OE1 GLU A 97 -10.297 12.919 2.016 1.00 1.79 O ATOM 1539 OE2 GLU A 97 -9.669 13.207 -0.055 1.00 1.89 O ATOM 0 H GLU A 97 -11.115 7.286 1.648 1.00 0.58 H new ATOM 0 HA GLU A 97 -8.628 8.470 0.959 1.00 0.52 H new ATOM 0 HB2 GLU A 97 -10.149 10.009 -0.303 1.00 0.47 H new ATOM 0 HB3 GLU A 97 -10.968 10.380 1.202 1.00 0.47 H new ATOM 0 HG2 GLU A 97 -8.549 11.053 2.018 1.00 1.09 H new ATOM 0 HG3 GLU A 97 -8.214 11.167 0.302 1.00 1.09 H new ATOM 1546 N VAL A 98 -9.181 9.741 3.500 1.00 0.58 N ATOM 1547 CA VAL A 98 -9.214 9.789 4.950 1.00 0.73 C ATOM 1548 C VAL A 98 -10.297 10.752 5.453 1.00 1.10 C ATOM 1549 O VAL A 98 -10.878 10.535 6.517 1.00 1.50 O ATOM 1550 CB VAL A 98 -7.849 10.196 5.533 1.00 0.62 C ATOM 1551 CG1 VAL A 98 -7.572 11.660 5.262 1.00 0.72 C ATOM 1552 CG2 VAL A 98 -7.773 9.888 7.023 1.00 0.79 C ATOM 0 H VAL A 98 -8.787 10.568 3.052 1.00 0.58 H new ATOM 0 HA VAL A 98 -9.453 8.782 5.293 1.00 0.73 H new ATOM 0 HB VAL A 98 -7.078 9.606 5.037 1.00 0.62 H new ATOM 0 HG11 VAL A 98 -6.603 11.931 5.681 1.00 0.72 H new ATOM 0 HG12 VAL A 98 -7.564 11.836 4.186 1.00 0.72 H new ATOM 0 HG13 VAL A 98 -8.350 12.269 5.723 1.00 0.72 H new ATOM 0 HG21 VAL A 98 -6.797 10.186 7.407 1.00 0.79 H new ATOM 0 HG22 VAL A 98 -8.553 10.438 7.549 1.00 0.79 H new ATOM 0 HG23 VAL A 98 -7.914 8.819 7.181 1.00 0.79 H new ATOM 1562 N PHE A 99 -10.581 11.803 4.680 1.00 1.35 N ATOM 1563 CA PHE A 99 -11.538 12.821 5.104 1.00 1.84 C ATOM 1564 C PHE A 99 -12.944 12.499 4.608 1.00 1.68 C ATOM 1565 O PHE A 99 -13.910 12.571 5.364 1.00 2.21 O ATOM 1566 CB PHE A 99 -11.157 14.212 4.573 1.00 2.46 C ATOM 1567 CG PHE A 99 -9.771 14.686 4.914 1.00 3.26 C ATOM 1568 CD1 PHE A 99 -9.486 15.185 6.171 1.00 3.78 C ATOM 1569 CD2 PHE A 99 -8.761 14.657 3.965 1.00 3.94 C ATOM 1570 CE1 PHE A 99 -8.221 15.641 6.479 1.00 4.85 C ATOM 1571 CE2 PHE A 99 -7.494 15.115 4.265 1.00 5.00 C ATOM 1572 CZ PHE A 99 -7.224 15.608 5.525 1.00 5.42 C ATOM 0 H PHE A 99 -10.164 11.969 3.764 1.00 1.35 H new ATOM 0 HA PHE A 99 -11.517 12.825 6.194 1.00 1.84 H new ATOM 0 HB2 PHE A 99 -11.262 14.207 3.488 1.00 2.46 H new ATOM 0 HB3 PHE A 99 -11.874 14.937 4.960 1.00 2.46 H new ATOM 0 HD1 PHE A 99 -10.263 15.218 6.921 1.00 3.78 H new ATOM 0 HD2 PHE A 99 -8.968 14.271 2.978 1.00 3.94 H new ATOM 0 HE1 PHE A 99 -8.011 16.024 7.467 1.00 4.85 H new ATOM 0 HE2 PHE A 99 -6.717 15.088 3.516 1.00 5.00 H new ATOM 0 HZ PHE A 99 -6.234 15.968 5.764 1.00 5.42 H new ATOM 1582 N LYS A 100 -13.049 12.114 3.339 1.00 1.18 N ATOM 1583 CA LYS A 100 -14.344 12.090 2.660 1.00 1.33 C ATOM 1584 C LYS A 100 -14.689 10.688 2.195 1.00 1.40 C ATOM 1585 O LYS A 100 -15.454 10.490 1.254 1.00 2.17 O ATOM 1586 CB LYS A 100 -14.319 13.069 1.476 1.00 1.40 C ATOM 1587 CG LYS A 100 -13.142 12.878 0.518 1.00 1.30 C ATOM 1588 CD LYS A 100 -13.398 11.773 -0.501 1.00 1.47 C ATOM 1589 CE LYS A 100 -12.205 11.548 -1.418 1.00 2.02 C ATOM 1590 NZ LYS A 100 -11.594 12.820 -1.876 1.00 2.63 N ATOM 0 H LYS A 100 -12.261 11.817 2.763 1.00 1.18 H new ATOM 0 HA LYS A 100 -15.117 12.400 3.363 1.00 1.33 H new ATOM 0 HB2 LYS A 100 -15.248 12.965 0.915 1.00 1.40 H new ATOM 0 HB3 LYS A 100 -14.294 14.087 1.864 1.00 1.40 H new ATOM 0 HG2 LYS A 100 -12.947 13.814 -0.006 1.00 1.30 H new ATOM 0 HG3 LYS A 100 -12.245 12.640 1.091 1.00 1.30 H new ATOM 0 HD2 LYS A 100 -13.632 10.846 0.022 1.00 1.47 H new ATOM 0 HD3 LYS A 100 -14.271 12.029 -1.101 1.00 1.47 H new ATOM 0 HE2 LYS A 100 -11.455 10.956 -0.894 1.00 2.02 H new ATOM 0 HE3 LYS A 100 -12.521 10.967 -2.285 1.00 2.02 H new ATOM 0 HZ1 LYS A 100 -10.976 12.634 -2.692 1.00 2.63 H new ATOM 0 HZ2 LYS A 100 -12.344 13.485 -2.153 1.00 2.63 H new ATOM 0 HZ3 LYS A 100 -11.033 13.233 -1.104 1.00 2.63 H new ATOM 1604 N SER A 101 -14.145 9.720 2.889 1.00 1.46 N ATOM 1605 CA SER A 101 -14.218 8.349 2.456 1.00 1.92 C ATOM 1606 C SER A 101 -15.566 7.701 2.772 1.00 1.73 C ATOM 1607 O SER A 101 -16.118 7.885 3.857 1.00 2.45 O ATOM 1608 CB SER A 101 -13.067 7.585 3.090 1.00 2.55 C ATOM 1609 OG SER A 101 -12.890 7.954 4.447 1.00 3.05 O ATOM 0 H SER A 101 -13.642 9.860 3.765 1.00 1.46 H new ATOM 0 HA SER A 101 -14.131 8.319 1.370 1.00 1.92 H new ATOM 0 HB2 SER A 101 -13.258 6.514 3.024 1.00 2.55 H new ATOM 0 HB3 SER A 101 -12.149 7.779 2.535 1.00 2.55 H new ATOM 0 HG SER A 101 -11.933 8.029 4.643 1.00 3.05 H new ATOM 1615 N SER A 102 -16.078 6.957 1.788 1.00 1.56 N ATOM 1616 CA SER A 102 -17.318 6.192 1.912 1.00 1.80 C ATOM 1617 C SER A 102 -18.537 7.098 1.925 1.00 2.12 C ATOM 1618 O SER A 102 -18.822 7.792 2.903 1.00 2.73 O ATOM 1619 CB SER A 102 -17.299 5.293 3.143 1.00 2.23 C ATOM 1620 OG SER A 102 -18.373 4.371 3.128 1.00 2.75 O ATOM 0 H SER A 102 -15.637 6.869 0.873 1.00 1.56 H new ATOM 0 HA SER A 102 -17.388 5.554 1.031 1.00 1.80 H new ATOM 0 HB2 SER A 102 -16.354 4.752 3.185 1.00 2.23 H new ATOM 0 HB3 SER A 102 -17.356 5.905 4.043 1.00 2.23 H new ATOM 0 HG SER A 102 -18.332 3.808 3.929 1.00 2.75 H new ATOM 1626 N ILE A 103 -19.245 7.066 0.816 1.00 2.41 N ATOM 1627 CA ILE A 103 -20.449 7.860 0.618 1.00 3.09 C ATOM 1628 C ILE A 103 -21.448 7.048 -0.191 1.00 3.67 C ATOM 1629 O ILE A 103 -22.517 6.698 0.351 1.00 4.17 O ATOM 1630 CB ILE A 103 -20.165 9.191 -0.125 1.00 3.79 C ATOM 1631 CG1 ILE A 103 -19.135 10.038 0.632 1.00 4.17 C ATOM 1632 CG2 ILE A 103 -21.460 9.976 -0.312 1.00 4.47 C ATOM 1633 CD1 ILE A 103 -18.728 11.299 -0.100 1.00 5.26 C ATOM 1634 OXT ILE A 103 -21.131 6.718 -1.354 1.00 4.12 O ATOM 0 H ILE A 103 -19.002 6.483 0.015 1.00 2.41 H new ATOM 0 HA ILE A 103 -20.846 8.109 1.602 1.00 3.09 H new ATOM 0 HB ILE A 103 -19.750 8.951 -1.104 1.00 3.79 H new ATOM 0 HG12 ILE A 103 -19.545 10.309 1.605 1.00 4.17 H new ATOM 0 HG13 ILE A 103 -18.247 9.434 0.818 1.00 4.17 H new ATOM 0 HG21 ILE A 103 -21.248 10.909 -0.835 1.00 4.47 H new ATOM 0 HG22 ILE A 103 -22.163 9.384 -0.897 1.00 4.47 H new ATOM 0 HG23 ILE A 103 -21.895 10.197 0.663 1.00 4.47 H new ATOM 0 HD11 ILE A 103 -17.998 11.846 0.496 1.00 5.26 H new ATOM 0 HD12 ILE A 103 -18.287 11.035 -1.061 1.00 5.26 H new ATOM 0 HD13 ILE A 103 -19.606 11.925 -0.263 1.00 5.26 H new TER 1646 ILE A 103