USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 662 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 41 ASN : amide:sc= 0.39 K(o=2.1,f=0.76) USER MOD Set 1.2: A 67 THR OG1 : rot 104:sc= 1.29 USER MOD Set 1.3: A 68 HIS : no HE2:sc= 0.381 K(o=2.1,f=-2.2) USER MOD Set 2.1: A 48 CYS SG : rot 76:sc= 1.21 USER MOD Set 2.2: A 54 SER OG : rot 76:sc= 1.46 USER MOD Set 3.1: A 12 GLN : amide:sc= 0.054 K(o=0.71,f=-0.21) USER MOD Set 3.2: A 15 GLN : amide:sc= 0.653 K(o=0.71,f=-0.13) USER MOD Single : A 1 ALA N :NH3+ -166:sc= 1.01 (180deg=0.87) USER MOD Single : A 3 HIS : no HD1:sc=-0.000957 X(o=-0.00096,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0.65 K(o=0.65,f=0) USER MOD Single : A 17 HIS : no HE2:sc= 0.851 K(o=0.85,f=-2.9!) USER MOD Single : A 19 GLN : amide:sc= -0.131 K(o=-0.13,f=-5.1!) USER MOD Single : A 23 ASN : amide:sc= -0.734 K(o=-0.73,f=-5.2!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 35:sc= 0.62 USER MOD Single : A 40 LYS NZ :NH3+ -175:sc= 1.22 (180deg=1.2) USER MOD Single : A 43 THR OG1 : rot 77:sc= 0.995 USER MOD Single : A 45 LYS NZ :NH3+ 176:sc= 1.26 (180deg=1.18) USER MOD Single : A 47 TYR OH : rot 30:sc= 0.397 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= -0.612 K(o=-0.61,f=-4.8!) USER MOD Single : A 56 GLN : amide:sc= 0.45 X(o=0.45,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 174:sc= 1.12 (180deg=1.09) USER MOD Single : A 62 SER OG : rot 100:sc= 1.23 USER MOD Single : A 64 MET CE :methyl 178:sc= 0 (180deg=-0.00456) USER MOD Single : A 66 TYR OH : rot -159:sc= 1.23 USER MOD Single : A 71 ASN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -177:sc= 0 (180deg=-0.0137) USER MOD Single : A 82 LYS NZ :NH3+ -174:sc= 1.91 (180deg=1.85) USER MOD Single : A 84 LYS NZ :NH3+ 174:sc= 1.24 (180deg=1.15) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.015 -2.234 -4.661 1.00 0.00 N ATOM 2 CA ALA A 1 3.905 -0.840 -4.183 1.00 0.00 C ATOM 3 C ALA A 1 3.089 -0.045 -5.198 1.00 0.00 C ATOM 4 O ALA A 1 3.588 0.293 -6.277 1.00 0.00 O ATOM 5 CB ALA A 1 5.283 -0.201 -3.936 1.00 0.00 C ATOM 0 H1 ALA A 1 4.354 -2.841 -3.887 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.082 -2.567 -4.978 1.00 0.00 H new ATOM 0 H3 ALA A 1 4.686 -2.277 -5.454 1.00 0.00 H new ATOM 0 HA ALA A 1 3.398 -0.832 -3.218 1.00 0.00 H new ATOM 0 HB1 ALA A 1 5.152 0.823 -3.586 1.00 0.00 H new ATOM 0 HB2 ALA A 1 5.821 -0.776 -3.182 1.00 0.00 H new ATOM 0 HB3 ALA A 1 5.854 -0.197 -4.865 1.00 0.00 H new ATOM 13 N GLU A 2 1.815 0.207 -4.897 1.00 0.00 N ATOM 14 CA GLU A 2 0.864 0.800 -5.823 1.00 0.00 C ATOM 15 C GLU A 2 -0.251 1.495 -5.039 1.00 0.00 C ATOM 16 O GLU A 2 -0.488 1.157 -3.874 1.00 0.00 O ATOM 17 CB GLU A 2 0.297 -0.287 -6.765 1.00 0.00 C ATOM 18 CG GLU A 2 -0.574 -1.385 -6.125 1.00 0.00 C ATOM 19 CD GLU A 2 0.164 -2.302 -5.125 1.00 0.00 C ATOM 20 OE1 GLU A 2 1.298 -2.756 -5.406 1.00 0.00 O ATOM 21 OE2 GLU A 2 -0.405 -2.605 -4.051 1.00 0.00 O ATOM 0 H GLU A 2 1.412 -0.001 -3.983 1.00 0.00 H new ATOM 0 HA GLU A 2 1.366 1.547 -6.438 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.294 0.208 -7.535 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.135 -0.770 -7.268 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.411 -0.911 -5.611 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -0.995 -2.002 -6.918 1.00 0.00 H new ATOM 28 N HIS A 3 -0.975 2.403 -5.697 1.00 0.00 N ATOM 29 CA HIS A 3 -2.179 3.039 -5.174 1.00 0.00 C ATOM 30 C HIS A 3 -3.152 3.245 -6.334 1.00 0.00 C ATOM 31 O HIS A 3 -2.768 3.804 -7.365 1.00 0.00 O ATOM 32 CB HIS A 3 -1.845 4.399 -4.535 1.00 0.00 C ATOM 33 CG HIS A 3 -1.121 4.327 -3.213 1.00 0.00 C ATOM 34 ND1 HIS A 3 -1.641 3.880 -2.016 1.00 0.00 N ATOM 35 CD2 HIS A 3 0.153 4.761 -2.960 1.00 0.00 C ATOM 36 CE1 HIS A 3 -0.697 4.033 -1.071 1.00 0.00 C ATOM 37 NE2 HIS A 3 0.419 4.573 -1.596 1.00 0.00 N ATOM 0 H HIS A 3 -0.730 2.723 -6.634 1.00 0.00 H new ATOM 0 HA HIS A 3 -2.622 2.403 -4.407 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.235 4.971 -5.234 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -2.773 4.954 -4.393 1.00 0.00 H new ATOM 0 HD2 HIS A 3 0.836 5.177 -3.686 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -0.817 3.760 -0.033 1.00 0.00 H new ATOM 0 HE2 HIS A 3 1.282 4.799 -1.102 1.00 0.00 H new ATOM 45 N TRP A 4 -4.403 2.808 -6.156 1.00 0.00 N ATOM 46 CA TRP A 4 -5.503 3.119 -7.063 1.00 0.00 C ATOM 47 C TRP A 4 -5.847 4.590 -6.866 1.00 0.00 C ATOM 48 O TRP A 4 -6.242 4.992 -5.768 1.00 0.00 O ATOM 49 CB TRP A 4 -6.718 2.227 -6.771 1.00 0.00 C ATOM 50 CG TRP A 4 -6.543 0.782 -7.131 1.00 0.00 C ATOM 51 CD1 TRP A 4 -6.005 -0.173 -6.339 1.00 0.00 C ATOM 52 CD2 TRP A 4 -6.889 0.106 -8.381 1.00 0.00 C ATOM 53 NE1 TRP A 4 -5.979 -1.379 -7.009 1.00 0.00 N ATOM 54 CE2 TRP A 4 -6.506 -1.266 -8.278 1.00 0.00 C ATOM 55 CE3 TRP A 4 -7.486 0.515 -9.593 1.00 0.00 C ATOM 56 CZ2 TRP A 4 -6.691 -2.179 -9.328 1.00 0.00 C ATOM 57 CZ3 TRP A 4 -7.686 -0.396 -10.648 1.00 0.00 C ATOM 58 CH2 TRP A 4 -7.284 -1.738 -10.522 1.00 0.00 C ATOM 0 H TRP A 4 -4.679 2.222 -5.368 1.00 0.00 H new ATOM 0 HA TRP A 4 -5.214 2.931 -8.097 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -6.954 2.296 -5.709 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -7.577 2.620 -7.314 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -5.649 -0.015 -5.332 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -5.615 -2.246 -6.614 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -7.794 1.543 -9.713 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -6.381 -3.208 -9.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -8.153 -0.061 -11.563 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -7.431 -2.427 -11.341 1.00 0.00 H new ATOM 69 N ILE A 5 -5.685 5.389 -7.916 1.00 0.00 N ATOM 70 CA ILE A 5 -5.761 6.838 -7.858 1.00 0.00 C ATOM 71 C ILE A 5 -6.706 7.255 -8.981 1.00 0.00 C ATOM 72 O ILE A 5 -6.375 7.161 -10.164 1.00 0.00 O ATOM 73 CB ILE A 5 -4.326 7.425 -7.939 1.00 0.00 C ATOM 74 CG1 ILE A 5 -3.656 7.338 -6.547 1.00 0.00 C ATOM 75 CG2 ILE A 5 -4.288 8.885 -8.419 1.00 0.00 C ATOM 76 CD1 ILE A 5 -2.132 7.424 -6.576 1.00 0.00 C ATOM 0 H ILE A 5 -5.493 5.034 -8.853 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.164 7.229 -6.924 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.788 6.830 -8.677 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.042 8.142 -5.920 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.946 6.399 -6.075 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.255 9.230 -8.452 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -4.725 8.952 -9.415 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.858 9.509 -7.731 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.744 7.355 -5.560 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.733 6.604 -7.173 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.830 8.374 -7.016 1.00 0.00 H new ATOM 88 N ASP A 6 -7.920 7.653 -8.613 1.00 0.00 N ATOM 89 CA ASP A 6 -8.807 8.328 -9.542 1.00 0.00 C ATOM 90 C ASP A 6 -8.194 9.704 -9.830 1.00 0.00 C ATOM 91 O ASP A 6 -7.518 10.280 -8.967 1.00 0.00 O ATOM 92 CB ASP A 6 -10.190 8.443 -8.905 1.00 0.00 C ATOM 93 CG ASP A 6 -11.264 9.058 -9.809 1.00 0.00 C ATOM 94 OD1 ASP A 6 -11.080 9.246 -11.033 1.00 0.00 O ATOM 95 OD2 ASP A 6 -12.381 9.260 -9.291 1.00 0.00 O ATOM 0 H ASP A 6 -8.307 7.518 -7.679 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.920 7.782 -10.478 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.518 7.449 -8.599 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.109 9.045 -8.000 1.00 0.00 H new ATOM 100 N VAL A 7 -8.411 10.239 -11.027 1.00 0.00 N ATOM 101 CA VAL A 7 -7.970 11.578 -11.405 1.00 0.00 C ATOM 102 C VAL A 7 -9.088 12.364 -12.107 1.00 0.00 C ATOM 103 O VAL A 7 -8.823 13.419 -12.694 1.00 0.00 O ATOM 104 CB VAL A 7 -6.633 11.528 -12.187 1.00 0.00 C ATOM 105 CG1 VAL A 7 -5.473 10.915 -11.386 1.00 0.00 C ATOM 106 CG2 VAL A 7 -6.720 10.725 -13.488 1.00 0.00 C ATOM 0 H VAL A 7 -8.905 9.748 -11.772 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.754 12.143 -10.498 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.438 12.580 -12.395 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.570 10.913 -11.997 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.301 11.505 -10.486 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.724 9.892 -11.107 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.750 10.731 -13.985 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.006 9.698 -13.263 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -7.466 11.174 -14.144 1.00 0.00 H new ATOM 116 N ARG A 8 -10.341 11.883 -12.053 1.00 0.00 N ATOM 117 CA ARG A 8 -11.506 12.638 -12.518 1.00 0.00 C ATOM 118 C ARG A 8 -11.570 14.009 -11.861 1.00 0.00 C ATOM 119 O ARG A 8 -11.072 14.209 -10.749 1.00 0.00 O ATOM 120 CB ARG A 8 -12.810 11.886 -12.195 1.00 0.00 C ATOM 121 CG ARG A 8 -13.119 10.800 -13.227 1.00 0.00 C ATOM 122 CD ARG A 8 -14.336 9.951 -12.868 1.00 0.00 C ATOM 123 NE ARG A 8 -14.088 9.192 -11.643 1.00 0.00 N ATOM 124 CZ ARG A 8 -14.978 8.453 -10.984 1.00 0.00 C ATOM 125 NH1 ARG A 8 -16.215 8.262 -11.423 1.00 0.00 N ATOM 126 NH2 ARG A 8 -14.617 7.904 -9.847 1.00 0.00 N ATOM 0 H ARG A 8 -10.570 10.960 -11.685 1.00 0.00 H new ATOM 0 HA ARG A 8 -11.401 12.754 -13.597 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -12.732 11.434 -11.206 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -13.637 12.595 -12.157 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -13.285 11.268 -14.197 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -12.250 10.150 -13.331 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -15.208 10.592 -12.735 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -14.564 9.268 -13.686 1.00 0.00 H new ATOM 0 HE ARG A 8 -13.145 9.233 -11.257 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -16.517 8.689 -12.298 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -16.864 7.688 -10.885 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -13.673 8.048 -9.488 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -15.280 7.333 -9.323 1.00 0.00 H new ATOM 140 N VAL A 9 -12.255 14.936 -12.534 1.00 0.00 N ATOM 141 CA VAL A 9 -12.622 16.204 -11.920 1.00 0.00 C ATOM 142 C VAL A 9 -13.425 15.878 -10.638 1.00 0.00 C ATOM 143 O VAL A 9 -14.125 14.857 -10.610 1.00 0.00 O ATOM 144 CB VAL A 9 -13.351 17.116 -12.932 1.00 0.00 C ATOM 145 CG1 VAL A 9 -12.407 17.497 -14.084 1.00 0.00 C ATOM 146 CG2 VAL A 9 -14.627 16.498 -13.520 1.00 0.00 C ATOM 0 H VAL A 9 -12.564 14.829 -13.500 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.748 16.785 -11.626 1.00 0.00 H new ATOM 0 HB VAL A 9 -13.652 17.998 -12.367 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -12.934 18.140 -14.789 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.543 18.028 -13.686 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.074 16.594 -14.595 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -15.081 17.199 -14.221 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -14.377 15.574 -14.041 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -15.331 16.282 -12.716 1.00 0.00 H new ATOM 156 N PRO A 10 -13.376 16.704 -9.578 1.00 0.00 N ATOM 157 CA PRO A 10 -13.874 16.314 -8.258 1.00 0.00 C ATOM 158 C PRO A 10 -15.359 15.949 -8.235 1.00 0.00 C ATOM 159 O PRO A 10 -15.758 15.051 -7.493 1.00 0.00 O ATOM 160 CB PRO A 10 -13.548 17.488 -7.328 1.00 0.00 C ATOM 161 CG PRO A 10 -13.409 18.678 -8.278 1.00 0.00 C ATOM 162 CD PRO A 10 -12.809 18.044 -9.528 1.00 0.00 C ATOM 0 HA PRO A 10 -13.389 15.393 -7.933 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.339 17.651 -6.596 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.629 17.313 -6.769 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -14.372 19.146 -8.484 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.761 19.451 -7.866 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.064 18.614 -10.421 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.721 18.011 -9.471 1.00 0.00 H new ATOM 170 N GLU A 11 -16.194 16.603 -9.041 1.00 0.00 N ATOM 171 CA GLU A 11 -17.622 16.298 -9.088 1.00 0.00 C ATOM 172 C GLU A 11 -17.897 14.971 -9.799 1.00 0.00 C ATOM 173 O GLU A 11 -18.898 14.323 -9.498 1.00 0.00 O ATOM 174 CB GLU A 11 -18.372 17.424 -9.806 1.00 0.00 C ATOM 175 CG GLU A 11 -18.478 18.685 -8.936 1.00 0.00 C ATOM 176 CD GLU A 11 -19.269 19.797 -9.647 1.00 0.00 C ATOM 177 OE1 GLU A 11 -20.510 19.863 -9.494 1.00 0.00 O ATOM 178 OE2 GLU A 11 -18.658 20.634 -10.351 1.00 0.00 O ATOM 0 H GLU A 11 -15.904 17.350 -9.672 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.973 16.210 -8.060 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -17.859 17.667 -10.737 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -19.372 17.082 -10.073 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -18.965 18.437 -7.993 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -17.478 19.046 -8.694 1.00 0.00 H new ATOM 185 N GLN A 12 -17.030 14.546 -10.727 1.00 0.00 N ATOM 186 CA GLN A 12 -17.210 13.290 -11.443 1.00 0.00 C ATOM 187 C GLN A 12 -16.684 12.149 -10.573 1.00 0.00 C ATOM 188 O GLN A 12 -17.285 11.074 -10.566 1.00 0.00 O ATOM 189 CB GLN A 12 -16.513 13.340 -12.816 1.00 0.00 C ATOM 190 CG GLN A 12 -17.254 14.223 -13.836 1.00 0.00 C ATOM 191 CD GLN A 12 -18.587 13.616 -14.280 1.00 0.00 C ATOM 192 OE1 GLN A 12 -18.630 12.540 -14.873 1.00 0.00 O ATOM 193 NE2 GLN A 12 -19.702 14.263 -13.984 1.00 0.00 N ATOM 0 H GLN A 12 -16.193 15.063 -10.996 1.00 0.00 H new ATOM 0 HA GLN A 12 -18.269 13.120 -11.638 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -15.498 13.716 -12.688 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -16.431 12.328 -13.212 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -17.434 15.205 -13.398 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -16.619 14.375 -14.709 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -19.659 15.155 -13.492 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -20.605 13.870 -14.248 1.00 0.00 H new ATOM 202 N TYR A 13 -15.621 12.399 -9.800 1.00 0.00 N ATOM 203 CA TYR A 13 -15.125 11.490 -8.775 1.00 0.00 C ATOM 204 C TYR A 13 -16.236 11.138 -7.778 1.00 0.00 C ATOM 205 O TYR A 13 -16.480 9.960 -7.517 1.00 0.00 O ATOM 206 CB TYR A 13 -13.900 12.116 -8.088 1.00 0.00 C ATOM 207 CG TYR A 13 -13.667 11.726 -6.635 1.00 0.00 C ATOM 208 CD1 TYR A 13 -13.379 10.393 -6.273 1.00 0.00 C ATOM 209 CD2 TYR A 13 -13.708 12.721 -5.638 1.00 0.00 C ATOM 210 CE1 TYR A 13 -13.107 10.068 -4.934 1.00 0.00 C ATOM 211 CE2 TYR A 13 -13.466 12.395 -4.292 1.00 0.00 C ATOM 212 CZ TYR A 13 -13.159 11.064 -3.932 1.00 0.00 C ATOM 213 OH TYR A 13 -12.886 10.762 -2.631 1.00 0.00 O ATOM 0 H TYR A 13 -15.075 13.257 -9.875 1.00 0.00 H new ATOM 0 HA TYR A 13 -14.811 10.553 -9.235 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -13.012 11.847 -8.661 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -13.996 13.201 -8.140 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -13.368 9.620 -7.028 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -13.927 13.743 -5.910 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -12.857 9.052 -4.668 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -13.515 13.162 -3.533 1.00 0.00 H new ATOM 0 HH TYR A 13 -12.969 11.570 -2.083 1.00 0.00 H new ATOM 223 N GLN A 14 -16.946 12.152 -7.269 1.00 0.00 N ATOM 224 CA GLN A 14 -17.963 12.004 -6.226 1.00 0.00 C ATOM 225 C GLN A 14 -19.244 11.281 -6.690 1.00 0.00 C ATOM 226 O GLN A 14 -20.181 11.162 -5.900 1.00 0.00 O ATOM 227 CB GLN A 14 -18.288 13.393 -5.645 1.00 0.00 C ATOM 228 CG GLN A 14 -17.172 13.899 -4.721 1.00 0.00 C ATOM 229 CD GLN A 14 -17.394 15.358 -4.329 1.00 0.00 C ATOM 230 OE1 GLN A 14 -17.971 15.668 -3.289 1.00 0.00 O ATOM 231 NE2 GLN A 14 -16.948 16.282 -5.163 1.00 0.00 N ATOM 0 H GLN A 14 -16.826 13.117 -7.578 1.00 0.00 H new ATOM 0 HA GLN A 14 -17.543 11.357 -5.456 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -18.435 14.102 -6.459 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -19.225 13.345 -5.091 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -17.132 13.281 -3.824 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -16.209 13.797 -5.221 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -16.471 16.007 -6.022 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -17.081 17.270 -4.948 1.00 0.00 H new ATOM 240 N GLN A 15 -19.328 10.806 -7.937 1.00 0.00 N ATOM 241 CA GLN A 15 -20.462 10.003 -8.385 1.00 0.00 C ATOM 242 C GLN A 15 -20.330 8.590 -7.794 1.00 0.00 C ATOM 243 O GLN A 15 -21.164 8.158 -6.997 1.00 0.00 O ATOM 244 CB GLN A 15 -20.507 9.980 -9.921 1.00 0.00 C ATOM 245 CG GLN A 15 -20.714 11.380 -10.533 1.00 0.00 C ATOM 246 CD GLN A 15 -20.596 11.349 -12.056 1.00 0.00 C ATOM 247 OE1 GLN A 15 -21.538 11.657 -12.782 1.00 0.00 O ATOM 248 NE2 GLN A 15 -19.429 10.991 -12.571 1.00 0.00 N ATOM 0 H GLN A 15 -18.620 10.966 -8.653 1.00 0.00 H new ATOM 0 HA GLN A 15 -21.400 10.436 -8.038 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -19.577 9.556 -10.301 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -21.314 9.323 -10.247 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -21.696 11.760 -10.251 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -19.976 12.070 -10.124 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -18.656 10.738 -11.955 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -19.304 10.968 -13.583 1.00 0.00 H new ATOM 257 N GLU A 16 -19.252 7.886 -8.138 1.00 0.00 N ATOM 258 CA GLU A 16 -18.882 6.570 -7.629 1.00 0.00 C ATOM 259 C GLU A 16 -17.429 6.334 -8.019 1.00 0.00 C ATOM 260 O GLU A 16 -17.006 6.827 -9.069 1.00 0.00 O ATOM 261 CB GLU A 16 -19.785 5.465 -8.217 1.00 0.00 C ATOM 262 CG GLU A 16 -19.731 5.299 -9.746 1.00 0.00 C ATOM 263 CD GLU A 16 -20.859 4.375 -10.235 1.00 0.00 C ATOM 264 OE1 GLU A 16 -22.046 4.752 -10.100 1.00 0.00 O ATOM 265 OE2 GLU A 16 -20.570 3.278 -10.764 1.00 0.00 O ATOM 0 H GLU A 16 -18.578 8.240 -8.817 1.00 0.00 H new ATOM 0 HA GLU A 16 -19.009 6.536 -6.547 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -19.511 4.515 -7.757 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -20.816 5.673 -7.929 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -19.820 6.274 -10.226 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -18.765 4.887 -10.038 1.00 0.00 H new ATOM 272 N HIS A 17 -16.664 5.584 -7.227 1.00 0.00 N ATOM 273 CA HIS A 17 -15.262 5.292 -7.511 1.00 0.00 C ATOM 274 C HIS A 17 -14.867 3.934 -6.915 1.00 0.00 C ATOM 275 O HIS A 17 -15.629 3.348 -6.142 1.00 0.00 O ATOM 276 CB HIS A 17 -14.376 6.458 -7.028 1.00 0.00 C ATOM 277 CG HIS A 17 -13.962 6.426 -5.582 1.00 0.00 C ATOM 278 ND1 HIS A 17 -14.784 6.460 -4.481 1.00 0.00 N ATOM 279 CD2 HIS A 17 -12.674 6.487 -5.128 1.00 0.00 C ATOM 280 CE1 HIS A 17 -14.008 6.506 -3.387 1.00 0.00 C ATOM 281 NE2 HIS A 17 -12.704 6.526 -3.727 1.00 0.00 N ATOM 0 H HIS A 17 -17.003 5.159 -6.364 1.00 0.00 H new ATOM 0 HA HIS A 17 -15.108 5.206 -8.587 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -13.475 6.480 -7.641 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -14.909 7.391 -7.211 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -15.804 6.452 -4.493 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -11.786 6.502 -5.743 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -14.378 6.524 -2.373 1.00 0.00 H new ATOM 289 N VAL A 18 -13.706 3.409 -7.319 1.00 0.00 N ATOM 290 CA VAL A 18 -13.216 2.092 -6.914 1.00 0.00 C ATOM 291 C VAL A 18 -13.062 2.050 -5.389 1.00 0.00 C ATOM 292 O VAL A 18 -12.565 2.998 -4.775 1.00 0.00 O ATOM 293 CB VAL A 18 -11.909 1.764 -7.672 1.00 0.00 C ATOM 294 CG1 VAL A 18 -11.262 0.453 -7.209 1.00 0.00 C ATOM 295 CG2 VAL A 18 -12.173 1.653 -9.185 1.00 0.00 C ATOM 0 H VAL A 18 -13.070 3.899 -7.949 1.00 0.00 H new ATOM 0 HA VAL A 18 -13.933 1.316 -7.181 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.226 2.585 -7.453 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.349 0.277 -7.778 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.021 0.521 -6.148 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.955 -0.372 -7.372 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.241 1.422 -9.701 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -12.897 0.860 -9.371 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -12.568 2.599 -9.556 1.00 0.00 H new ATOM 305 N GLN A 19 -13.487 0.941 -4.776 1.00 0.00 N ATOM 306 CA GLN A 19 -13.389 0.740 -3.337 1.00 0.00 C ATOM 307 C GLN A 19 -11.922 0.860 -2.899 1.00 0.00 C ATOM 308 O GLN A 19 -11.029 0.289 -3.529 1.00 0.00 O ATOM 309 CB GLN A 19 -14.003 -0.625 -2.975 1.00 0.00 C ATOM 310 CG GLN A 19 -13.915 -1.019 -1.488 1.00 0.00 C ATOM 311 CD GLN A 19 -14.651 -0.064 -0.543 1.00 0.00 C ATOM 312 OE1 GLN A 19 -14.298 1.106 -0.417 1.00 0.00 O ATOM 313 NE2 GLN A 19 -15.673 -0.535 0.154 1.00 0.00 N ATOM 0 H GLN A 19 -13.910 0.156 -5.272 1.00 0.00 H new ATOM 0 HA GLN A 19 -13.949 1.507 -2.802 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -15.052 -0.622 -3.270 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.508 -1.395 -3.567 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.324 -2.022 -1.364 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -12.866 -1.064 -1.197 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -15.960 -1.508 0.044 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -16.173 0.075 0.801 1.00 0.00 H new ATOM 322 N GLY A 20 -11.681 1.588 -1.806 1.00 0.00 N ATOM 323 CA GLY A 20 -10.365 1.739 -1.191 1.00 0.00 C ATOM 324 C GLY A 20 -9.380 2.608 -1.986 1.00 0.00 C ATOM 325 O GLY A 20 -8.227 2.734 -1.568 1.00 0.00 O ATOM 0 H GLY A 20 -12.414 2.100 -1.315 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -10.491 2.172 -0.198 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.927 0.750 -1.055 1.00 0.00 H new ATOM 329 N ALA A 21 -9.793 3.198 -3.114 1.00 0.00 N ATOM 330 CA ALA A 21 -8.973 4.132 -3.879 1.00 0.00 C ATOM 331 C ALA A 21 -8.897 5.504 -3.181 1.00 0.00 C ATOM 332 O ALA A 21 -9.490 5.724 -2.120 1.00 0.00 O ATOM 333 CB ALA A 21 -9.554 4.251 -5.295 1.00 0.00 C ATOM 0 H ALA A 21 -10.714 3.036 -3.521 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.952 3.756 -3.942 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.951 4.946 -5.879 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.546 3.272 -5.775 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.579 4.619 -5.238 1.00 0.00 H new ATOM 339 N ILE A 22 -8.191 6.440 -3.813 1.00 0.00 N ATOM 340 CA ILE A 22 -8.128 7.862 -3.469 1.00 0.00 C ATOM 341 C ILE A 22 -8.367 8.644 -4.774 1.00 0.00 C ATOM 342 O ILE A 22 -8.391 8.039 -5.849 1.00 0.00 O ATOM 343 CB ILE A 22 -6.775 8.150 -2.763 1.00 0.00 C ATOM 344 CG1 ILE A 22 -6.745 9.534 -2.073 1.00 0.00 C ATOM 345 CG2 ILE A 22 -5.585 7.986 -3.722 1.00 0.00 C ATOM 346 CD1 ILE A 22 -5.462 9.793 -1.273 1.00 0.00 C ATOM 0 H ILE A 22 -7.615 6.215 -4.624 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.891 8.177 -2.757 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.679 7.401 -1.977 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.854 10.311 -2.830 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -7.603 9.617 -1.405 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.657 8.196 -3.190 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.562 6.965 -4.102 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.691 8.681 -4.555 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.511 10.782 -0.817 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.361 9.038 -0.493 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.601 9.743 -1.940 1.00 0.00 H new ATOM 358 N ASN A 23 -8.538 9.968 -4.717 1.00 0.00 N ATOM 359 CA ASN A 23 -8.740 10.808 -5.897 1.00 0.00 C ATOM 360 C ASN A 23 -7.842 12.031 -5.852 1.00 0.00 C ATOM 361 O ASN A 23 -7.647 12.634 -4.793 1.00 0.00 O ATOM 362 CB ASN A 23 -10.200 11.186 -6.052 1.00 0.00 C ATOM 363 CG ASN A 23 -10.374 12.029 -7.307 1.00 0.00 C ATOM 364 OD1 ASN A 23 -10.192 11.587 -8.431 1.00 0.00 O ATOM 365 ND2 ASN A 23 -10.643 13.299 -7.137 1.00 0.00 N ATOM 0 H ASN A 23 -8.540 10.490 -3.841 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.460 10.231 -6.778 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -10.815 10.288 -6.116 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -10.538 11.742 -5.177 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.701 13.921 -7.944 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.795 13.667 -6.198 1.00 0.00 H new ATOM 372 N ILE A 24 -7.290 12.382 -7.009 1.00 0.00 N ATOM 373 CA ILE A 24 -6.296 13.423 -7.200 1.00 0.00 C ATOM 374 C ILE A 24 -6.664 14.090 -8.540 1.00 0.00 C ATOM 375 O ILE A 24 -6.138 13.685 -9.575 1.00 0.00 O ATOM 376 CB ILE A 24 -4.866 12.808 -7.169 1.00 0.00 C ATOM 377 CG1 ILE A 24 -4.608 11.923 -5.925 1.00 0.00 C ATOM 378 CG2 ILE A 24 -3.832 13.940 -7.218 1.00 0.00 C ATOM 379 CD1 ILE A 24 -3.198 11.329 -5.852 1.00 0.00 C ATOM 0 H ILE A 24 -7.540 11.921 -7.884 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.291 14.172 -6.408 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.776 12.158 -8.039 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.786 12.517 -5.029 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.333 11.109 -5.917 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.828 13.517 -7.197 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.964 14.514 -8.135 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.968 14.595 -6.357 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.104 10.724 -4.950 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.020 10.705 -6.728 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.465 12.135 -5.826 1.00 0.00 H new ATOM 391 N PRO A 25 -7.630 15.032 -8.567 1.00 0.00 N ATOM 392 CA PRO A 25 -8.173 15.563 -9.814 1.00 0.00 C ATOM 393 C PRO A 25 -7.094 16.105 -10.744 1.00 0.00 C ATOM 394 O PRO A 25 -6.182 16.785 -10.277 1.00 0.00 O ATOM 395 CB PRO A 25 -9.122 16.698 -9.418 1.00 0.00 C ATOM 396 CG PRO A 25 -9.493 16.408 -7.969 1.00 0.00 C ATOM 397 CD PRO A 25 -8.273 15.662 -7.421 1.00 0.00 C ATOM 0 HA PRO A 25 -8.674 14.765 -10.361 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.638 17.670 -9.516 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.005 16.716 -10.056 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.683 17.326 -7.413 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.396 15.802 -7.901 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -7.590 16.348 -6.921 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -8.572 14.916 -6.684 1.00 0.00 H new ATOM 405 N LEU A 26 -7.249 15.938 -12.059 1.00 0.00 N ATOM 406 CA LEU A 26 -6.356 16.548 -13.052 1.00 0.00 C ATOM 407 C LEU A 26 -6.234 18.075 -12.874 1.00 0.00 C ATOM 408 O LEU A 26 -5.182 18.644 -13.158 1.00 0.00 O ATOM 409 CB LEU A 26 -6.851 16.176 -14.462 1.00 0.00 C ATOM 410 CG LEU A 26 -6.023 16.768 -15.623 1.00 0.00 C ATOM 411 CD1 LEU A 26 -4.594 16.211 -15.654 1.00 0.00 C ATOM 412 CD2 LEU A 26 -6.712 16.449 -16.953 1.00 0.00 C ATOM 0 H LEU A 26 -7.996 15.377 -12.468 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.350 16.154 -12.906 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.854 15.090 -14.555 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.884 16.507 -14.567 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.961 17.845 -15.469 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.048 16.655 -16.487 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.089 16.453 -14.719 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.628 15.129 -15.779 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.129 16.866 -17.774 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.787 15.368 -17.074 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.711 16.885 -16.959 1.00 0.00 H new ATOM 424 N LYS A 27 -7.277 18.746 -12.369 1.00 0.00 N ATOM 425 CA LYS A 27 -7.248 20.188 -12.096 1.00 0.00 C ATOM 426 C LYS A 27 -6.395 20.560 -10.873 1.00 0.00 C ATOM 427 O LYS A 27 -6.088 21.739 -10.698 1.00 0.00 O ATOM 428 CB LYS A 27 -8.683 20.721 -11.925 1.00 0.00 C ATOM 429 CG LYS A 27 -9.480 20.667 -13.240 1.00 0.00 C ATOM 430 CD LYS A 27 -10.867 21.303 -13.076 1.00 0.00 C ATOM 431 CE LYS A 27 -11.601 21.324 -14.425 1.00 0.00 C ATOM 432 NZ LYS A 27 -12.927 21.987 -14.335 1.00 0.00 N ATOM 0 H LYS A 27 -8.166 18.303 -12.138 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.774 20.659 -12.957 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.199 20.135 -11.164 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.647 21.749 -11.565 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.929 21.187 -14.024 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.588 19.631 -13.560 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.449 20.741 -12.345 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.767 22.318 -12.692 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.987 21.842 -15.162 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.732 20.302 -14.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.384 21.977 -15.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.524 21.478 -13.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.803 22.971 -14.021 1.00 0.00 H new ATOM 446 N GLU A 28 -6.009 19.601 -10.026 1.00 0.00 N ATOM 447 CA GLU A 28 -5.390 19.844 -8.718 1.00 0.00 C ATOM 448 C GLU A 28 -4.097 19.033 -8.530 1.00 0.00 C ATOM 449 O GLU A 28 -3.314 19.322 -7.626 1.00 0.00 O ATOM 450 CB GLU A 28 -6.397 19.473 -7.610 1.00 0.00 C ATOM 451 CG GLU A 28 -7.740 20.230 -7.651 1.00 0.00 C ATOM 452 CD GLU A 28 -7.603 21.761 -7.525 1.00 0.00 C ATOM 453 OE1 GLU A 28 -6.775 22.254 -6.726 1.00 0.00 O ATOM 454 OE2 GLU A 28 -8.371 22.492 -8.191 1.00 0.00 O ATOM 0 H GLU A 28 -6.121 18.609 -10.236 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.125 20.900 -8.660 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.601 18.404 -7.672 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.928 19.653 -6.642 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.248 19.997 -8.587 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.375 19.865 -6.844 1.00 0.00 H new ATOM 461 N VAL A 29 -3.856 18.025 -9.374 1.00 0.00 N ATOM 462 CA VAL A 29 -2.809 17.017 -9.228 1.00 0.00 C ATOM 463 C VAL A 29 -1.423 17.618 -8.994 1.00 0.00 C ATOM 464 O VAL A 29 -0.699 17.118 -8.135 1.00 0.00 O ATOM 465 CB VAL A 29 -2.889 16.037 -10.426 1.00 0.00 C ATOM 466 CG1 VAL A 29 -2.638 16.721 -11.774 1.00 0.00 C ATOM 467 CG2 VAL A 29 -1.943 14.836 -10.315 1.00 0.00 C ATOM 0 H VAL A 29 -4.414 17.886 -10.217 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.984 16.446 -8.316 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.916 15.673 -10.384 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.707 15.984 -12.574 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.385 17.499 -11.932 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.643 17.167 -11.776 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.060 14.199 -11.192 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.913 15.188 -10.257 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.183 14.266 -9.417 1.00 0.00 H new ATOM 477 N LYS A 30 -1.066 18.718 -9.666 1.00 0.00 N ATOM 478 CA LYS A 30 0.259 19.333 -9.536 1.00 0.00 C ATOM 479 C LYS A 30 0.557 19.797 -8.105 1.00 0.00 C ATOM 480 O LYS A 30 1.726 19.942 -7.750 1.00 0.00 O ATOM 481 CB LYS A 30 0.403 20.507 -10.519 1.00 0.00 C ATOM 482 CG LYS A 30 0.344 20.056 -11.987 1.00 0.00 C ATOM 483 CD LYS A 30 0.554 21.245 -12.934 1.00 0.00 C ATOM 484 CE LYS A 30 0.496 20.782 -14.397 1.00 0.00 C ATOM 485 NZ LYS A 30 0.688 21.907 -15.347 1.00 0.00 N ATOM 0 H LYS A 30 -1.685 19.206 -10.313 1.00 0.00 H new ATOM 0 HA LYS A 30 0.991 18.564 -9.780 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.390 21.232 -10.333 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.350 21.016 -10.336 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.108 19.300 -12.170 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.620 19.590 -12.190 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.211 22.000 -12.755 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.518 21.713 -12.732 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.264 20.028 -14.569 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.466 20.307 -14.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.641 21.549 -16.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.060 22.615 -15.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.617 22.345 -15.183 1.00 0.00 H new ATOM 499 N GLU A 31 -0.470 19.999 -7.275 1.00 0.00 N ATOM 500 CA GLU A 31 -0.353 20.470 -5.898 1.00 0.00 C ATOM 501 C GLU A 31 -0.745 19.366 -4.899 1.00 0.00 C ATOM 502 O GLU A 31 -0.848 19.636 -3.699 1.00 0.00 O ATOM 503 CB GLU A 31 -1.260 21.704 -5.714 1.00 0.00 C ATOM 504 CG GLU A 31 -0.974 22.867 -6.681 1.00 0.00 C ATOM 505 CD GLU A 31 0.478 23.377 -6.616 1.00 0.00 C ATOM 506 OE1 GLU A 31 0.966 23.724 -5.516 1.00 0.00 O ATOM 507 OE2 GLU A 31 1.137 23.477 -7.676 1.00 0.00 O ATOM 0 H GLU A 31 -1.437 19.833 -7.555 1.00 0.00 H new ATOM 0 HA GLU A 31 0.685 20.739 -5.701 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.298 21.395 -5.837 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.154 22.066 -4.691 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.192 22.545 -7.699 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.651 23.691 -6.456 1.00 0.00 H new ATOM 514 N ARG A 32 -0.985 18.132 -5.367 1.00 0.00 N ATOM 515 CA ARG A 32 -1.616 17.081 -4.564 1.00 0.00 C ATOM 516 C ARG A 32 -0.956 15.712 -4.730 1.00 0.00 C ATOM 517 O ARG A 32 -0.941 14.941 -3.770 1.00 0.00 O ATOM 518 CB ARG A 32 -3.108 17.075 -4.935 1.00 0.00 C ATOM 519 CG ARG A 32 -3.971 16.218 -4.000 1.00 0.00 C ATOM 520 CD ARG A 32 -5.441 16.323 -4.425 1.00 0.00 C ATOM 521 NE ARG A 32 -6.257 15.247 -3.837 1.00 0.00 N ATOM 522 CZ ARG A 32 -7.077 15.335 -2.783 1.00 0.00 C ATOM 523 NH1 ARG A 32 -7.125 16.434 -2.036 1.00 0.00 N ATOM 524 NH2 ARG A 32 -7.852 14.296 -2.497 1.00 0.00 N ATOM 0 H ARG A 32 -0.746 17.837 -6.314 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.488 17.296 -3.503 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.481 18.099 -4.922 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.218 16.708 -5.955 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.644 15.179 -4.036 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.854 16.554 -2.970 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.840 17.290 -4.119 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.509 16.279 -5.512 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.190 14.332 -4.283 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.530 17.231 -2.262 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.757 16.480 -1.237 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.813 13.457 -3.075 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.486 14.337 -1.699 1.00 0.00 H new ATOM 538 N ILE A 33 -0.377 15.391 -5.892 1.00 0.00 N ATOM 539 CA ILE A 33 0.272 14.094 -6.088 1.00 0.00 C ATOM 540 C ILE A 33 1.484 13.947 -5.164 1.00 0.00 C ATOM 541 O ILE A 33 1.674 12.878 -4.590 1.00 0.00 O ATOM 542 CB ILE A 33 0.594 13.845 -7.582 1.00 0.00 C ATOM 543 CG1 ILE A 33 1.086 12.401 -7.840 1.00 0.00 C ATOM 544 CG2 ILE A 33 1.600 14.849 -8.188 1.00 0.00 C ATOM 545 CD1 ILE A 33 0.067 11.307 -7.504 1.00 0.00 C ATOM 0 H ILE A 33 -0.345 16.007 -6.704 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.425 13.306 -5.803 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.358 13.999 -8.090 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.365 12.309 -8.890 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.989 12.229 -7.254 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.771 14.605 -9.236 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.197 15.859 -8.112 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.543 14.793 -7.644 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.499 10.329 -7.717 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.195 11.366 -6.448 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.829 11.447 -8.108 1.00 0.00 H new ATOM 557 N ALA A 34 2.258 15.021 -4.955 1.00 0.00 N ATOM 558 CA ALA A 34 3.449 14.982 -4.114 1.00 0.00 C ATOM 559 C ALA A 34 3.104 14.618 -2.665 1.00 0.00 C ATOM 560 O ALA A 34 3.843 13.868 -2.029 1.00 0.00 O ATOM 561 CB ALA A 34 4.168 16.334 -4.176 1.00 0.00 C ATOM 0 H ALA A 34 2.072 15.936 -5.366 1.00 0.00 H new ATOM 0 HA ALA A 34 4.112 14.204 -4.494 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.057 16.302 -3.547 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.459 16.545 -5.205 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.500 17.118 -3.820 1.00 0.00 H new ATOM 567 N THR A 35 1.990 15.132 -2.141 1.00 0.00 N ATOM 568 CA THR A 35 1.536 14.841 -0.787 1.00 0.00 C ATOM 569 C THR A 35 0.904 13.444 -0.705 1.00 0.00 C ATOM 570 O THR A 35 1.123 12.734 0.279 1.00 0.00 O ATOM 571 CB THR A 35 0.569 15.953 -0.330 1.00 0.00 C ATOM 572 OG1 THR A 35 -0.225 16.444 -1.399 1.00 0.00 O ATOM 573 CG2 THR A 35 1.353 17.155 0.210 1.00 0.00 C ATOM 0 H THR A 35 1.375 15.766 -2.651 1.00 0.00 H new ATOM 0 HA THR A 35 2.388 14.829 -0.108 1.00 0.00 H new ATOM 0 HB THR A 35 -0.065 15.504 0.434 1.00 0.00 H new ATOM 0 HG1 THR A 35 -0.442 15.709 -2.010 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.656 17.931 0.528 1.00 0.00 H new ATOM 0 HG22 THR A 35 1.960 16.842 1.059 1.00 0.00 H new ATOM 0 HG23 THR A 35 2.001 17.548 -0.573 1.00 0.00 H new ATOM 581 N ALA A 36 0.146 13.026 -1.729 1.00 0.00 N ATOM 582 CA ALA A 36 -0.521 11.728 -1.737 1.00 0.00 C ATOM 583 C ALA A 36 0.478 10.577 -1.902 1.00 0.00 C ATOM 584 O ALA A 36 0.301 9.521 -1.293 1.00 0.00 O ATOM 585 CB ALA A 36 -1.546 11.691 -2.873 1.00 0.00 C ATOM 0 H ALA A 36 -0.018 13.580 -2.569 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.020 11.598 -0.777 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.046 10.722 -2.881 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.284 12.479 -2.723 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.039 11.846 -3.826 1.00 0.00 H new ATOM 591 N VAL A 37 1.516 10.773 -2.720 1.00 0.00 N ATOM 592 CA VAL A 37 2.478 9.754 -3.118 1.00 0.00 C ATOM 593 C VAL A 37 3.871 10.411 -3.142 1.00 0.00 C ATOM 594 O VAL A 37 4.350 10.802 -4.210 1.00 0.00 O ATOM 595 CB VAL A 37 2.073 9.130 -4.480 1.00 0.00 C ATOM 596 CG1 VAL A 37 2.941 7.903 -4.790 1.00 0.00 C ATOM 597 CG2 VAL A 37 0.608 8.668 -4.545 1.00 0.00 C ATOM 0 H VAL A 37 1.713 11.683 -3.137 1.00 0.00 H new ATOM 0 HA VAL A 37 2.497 8.926 -2.409 1.00 0.00 H new ATOM 0 HB VAL A 37 2.218 9.930 -5.206 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.642 7.479 -5.749 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.989 8.200 -4.835 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.809 7.157 -4.006 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.404 8.244 -5.528 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.430 7.912 -3.780 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.050 9.520 -4.373 1.00 0.00 H new ATOM 607 N PRO A 38 4.527 10.593 -1.980 1.00 0.00 N ATOM 608 CA PRO A 38 5.885 11.128 -1.925 1.00 0.00 C ATOM 609 C PRO A 38 6.894 10.276 -2.709 1.00 0.00 C ATOM 610 O PRO A 38 7.834 10.815 -3.297 1.00 0.00 O ATOM 611 CB PRO A 38 6.256 11.174 -0.437 1.00 0.00 C ATOM 612 CG PRO A 38 4.909 11.188 0.282 1.00 0.00 C ATOM 613 CD PRO A 38 4.017 10.358 -0.638 1.00 0.00 C ATOM 0 HA PRO A 38 5.919 12.113 -2.391 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.853 10.309 -0.148 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.844 12.061 -0.200 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.979 10.750 1.278 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.528 12.202 0.405 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.062 9.300 -0.380 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.974 10.663 -0.555 1.00 0.00 H new ATOM 621 N ASP A 39 6.725 8.948 -2.698 1.00 0.00 N ATOM 622 CA ASP A 39 7.660 8.009 -3.312 1.00 0.00 C ATOM 623 C ASP A 39 7.371 7.865 -4.806 1.00 0.00 C ATOM 624 O ASP A 39 6.422 7.187 -5.204 1.00 0.00 O ATOM 625 CB ASP A 39 7.591 6.640 -2.624 1.00 0.00 C ATOM 626 CG ASP A 39 8.493 5.606 -3.324 1.00 0.00 C ATOM 627 OD1 ASP A 39 9.438 6.001 -4.044 1.00 0.00 O ATOM 628 OD2 ASP A 39 8.269 4.391 -3.126 1.00 0.00 O ATOM 0 H ASP A 39 5.925 8.495 -2.257 1.00 0.00 H new ATOM 0 HA ASP A 39 8.668 8.405 -3.187 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.893 6.741 -1.582 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.561 6.284 -2.624 1.00 0.00 H new ATOM 633 N LYS A 40 8.202 8.482 -5.649 1.00 0.00 N ATOM 634 CA LYS A 40 8.034 8.447 -7.102 1.00 0.00 C ATOM 635 C LYS A 40 8.200 7.045 -7.701 1.00 0.00 C ATOM 636 O LYS A 40 7.815 6.849 -8.855 1.00 0.00 O ATOM 637 CB LYS A 40 8.975 9.463 -7.773 1.00 0.00 C ATOM 638 CG LYS A 40 8.650 10.903 -7.340 1.00 0.00 C ATOM 639 CD LYS A 40 9.510 11.936 -8.076 1.00 0.00 C ATOM 640 CE LYS A 40 9.201 13.336 -7.525 1.00 0.00 C ATOM 641 NZ LYS A 40 9.992 14.392 -8.201 1.00 0.00 N ATOM 0 H LYS A 40 9.012 9.021 -5.342 1.00 0.00 H new ATOM 0 HA LYS A 40 7.002 8.731 -7.308 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.008 9.229 -7.516 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.889 9.380 -8.856 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.596 11.109 -7.529 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.806 11.002 -6.266 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.567 11.706 -7.945 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.306 11.900 -9.146 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.138 13.546 -7.647 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.409 13.357 -6.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.814 15.307 -7.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.004 14.163 -8.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.713 14.448 -9.201 1.00 0.00 H new ATOM 655 N ASN A 41 8.751 6.072 -6.961 1.00 0.00 N ATOM 656 CA ASN A 41 8.843 4.684 -7.417 1.00 0.00 C ATOM 657 C ASN A 41 7.499 3.947 -7.292 1.00 0.00 C ATOM 658 O ASN A 41 7.342 2.866 -7.858 1.00 0.00 O ATOM 659 CB ASN A 41 9.948 3.945 -6.645 1.00 0.00 C ATOM 660 CG ASN A 41 10.099 2.473 -7.029 1.00 0.00 C ATOM 661 OD1 ASN A 41 10.004 1.593 -6.178 1.00 0.00 O ATOM 662 ND2 ASN A 41 10.368 2.155 -8.286 1.00 0.00 N ATOM 0 H ASN A 41 9.143 6.228 -6.033 1.00 0.00 H new ATOM 0 HA ASN A 41 9.101 4.698 -8.476 1.00 0.00 H new ATOM 0 HB2 ASN A 41 10.897 4.453 -6.815 1.00 0.00 H new ATOM 0 HB3 ASN A 41 9.737 4.011 -5.578 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.497 1.178 -8.549 1.00 0.00 H new ATOM 0 HD22 ASN A 41 10.447 2.887 -8.992 1.00 0.00 H new ATOM 669 N ASP A 42 6.523 4.492 -6.557 1.00 0.00 N ATOM 670 CA ASP A 42 5.215 3.858 -6.388 1.00 0.00 C ATOM 671 C ASP A 42 4.478 3.755 -7.727 1.00 0.00 C ATOM 672 O ASP A 42 4.575 4.652 -8.570 1.00 0.00 O ATOM 673 CB ASP A 42 4.364 4.653 -5.403 1.00 0.00 C ATOM 674 CG ASP A 42 3.048 3.927 -5.110 1.00 0.00 C ATOM 675 OD1 ASP A 42 3.053 3.048 -4.222 1.00 0.00 O ATOM 676 OD2 ASP A 42 2.029 4.233 -5.764 1.00 0.00 O ATOM 0 H ASP A 42 6.619 5.381 -6.066 1.00 0.00 H new ATOM 0 HA ASP A 42 5.379 2.853 -5.999 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.917 4.801 -4.475 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.156 5.642 -5.811 1.00 0.00 H new ATOM 681 N THR A 43 3.739 2.665 -7.920 1.00 0.00 N ATOM 682 CA THR A 43 2.995 2.404 -9.144 1.00 0.00 C ATOM 683 C THR A 43 1.668 3.169 -9.082 1.00 0.00 C ATOM 684 O THR A 43 0.703 2.721 -8.454 1.00 0.00 O ATOM 685 CB THR A 43 2.801 0.893 -9.369 1.00 0.00 C ATOM 686 OG1 THR A 43 3.968 0.163 -9.032 1.00 0.00 O ATOM 687 CG2 THR A 43 2.441 0.587 -10.827 1.00 0.00 C ATOM 0 H THR A 43 3.641 1.930 -7.220 1.00 0.00 H new ATOM 0 HA THR A 43 3.559 2.759 -10.006 1.00 0.00 H new ATOM 0 HB THR A 43 1.982 0.587 -8.718 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.036 0.087 -8.057 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.311 -0.488 -10.952 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.514 1.097 -11.088 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.242 0.934 -11.480 1.00 0.00 H new ATOM 695 N VAL A 44 1.625 4.343 -9.710 1.00 0.00 N ATOM 696 CA VAL A 44 0.455 5.208 -9.718 1.00 0.00 C ATOM 697 C VAL A 44 -0.563 4.583 -10.687 1.00 0.00 C ATOM 698 O VAL A 44 -0.467 4.776 -11.902 1.00 0.00 O ATOM 699 CB VAL A 44 0.850 6.665 -10.080 1.00 0.00 C ATOM 700 CG1 VAL A 44 -0.200 7.653 -9.558 1.00 0.00 C ATOM 701 CG2 VAL A 44 2.213 7.105 -9.512 1.00 0.00 C ATOM 0 H VAL A 44 2.414 4.722 -10.233 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.002 5.280 -8.731 1.00 0.00 H new ATOM 0 HB VAL A 44 0.913 6.675 -11.168 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.094 8.669 -9.821 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.167 7.427 -10.007 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.274 7.566 -8.474 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.416 8.134 -9.809 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.192 7.039 -8.424 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.996 6.454 -9.900 1.00 0.00 H new ATOM 711 N LYS A 45 -1.502 3.781 -10.170 1.00 0.00 N ATOM 712 CA LYS A 45 -2.555 3.134 -10.956 1.00 0.00 C ATOM 713 C LYS A 45 -3.637 4.179 -11.224 1.00 0.00 C ATOM 714 O LYS A 45 -4.632 4.248 -10.495 1.00 0.00 O ATOM 715 CB LYS A 45 -3.111 1.902 -10.213 1.00 0.00 C ATOM 716 CG LYS A 45 -2.127 0.731 -10.063 1.00 0.00 C ATOM 717 CD LYS A 45 -1.931 -0.063 -11.363 1.00 0.00 C ATOM 718 CE LYS A 45 -1.069 -1.301 -11.074 1.00 0.00 C ATOM 719 NZ LYS A 45 -1.007 -2.232 -12.226 1.00 0.00 N ATOM 0 H LYS A 45 -1.550 3.561 -9.175 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.162 2.766 -11.904 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.436 2.212 -9.220 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.996 1.547 -10.742 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.163 1.115 -9.730 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.488 0.059 -9.285 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.897 -0.364 -11.768 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.450 0.562 -12.116 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.059 -0.984 -10.813 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.472 -1.826 -10.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.360 -3.016 -12.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.956 -2.611 -12.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.661 -1.724 -13.065 1.00 0.00 H new ATOM 733 N VAL A 46 -3.404 5.050 -12.204 1.00 0.00 N ATOM 734 CA VAL A 46 -4.319 6.137 -12.523 1.00 0.00 C ATOM 735 C VAL A 46 -5.535 5.583 -13.273 1.00 0.00 C ATOM 736 O VAL A 46 -5.389 4.740 -14.164 1.00 0.00 O ATOM 737 CB VAL A 46 -3.599 7.281 -13.272 1.00 0.00 C ATOM 738 CG1 VAL A 46 -2.660 8.033 -12.319 1.00 0.00 C ATOM 739 CG2 VAL A 46 -2.770 6.842 -14.490 1.00 0.00 C ATOM 0 H VAL A 46 -2.575 5.020 -12.797 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.686 6.586 -11.600 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.407 7.913 -13.641 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.159 8.836 -12.860 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.238 8.455 -11.496 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.915 7.343 -11.923 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.305 7.715 -14.947 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.996 6.144 -14.171 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.421 6.355 -15.217 1.00 0.00 H new ATOM 749 N TYR A 47 -6.735 6.071 -12.961 1.00 0.00 N ATOM 750 CA TYR A 47 -7.951 5.799 -13.723 1.00 0.00 C ATOM 751 C TYR A 47 -8.878 7.010 -13.651 1.00 0.00 C ATOM 752 O TYR A 47 -8.660 7.907 -12.836 1.00 0.00 O ATOM 753 CB TYR A 47 -8.649 4.531 -13.219 1.00 0.00 C ATOM 754 CG TYR A 47 -9.376 4.657 -11.893 1.00 0.00 C ATOM 755 CD1 TYR A 47 -8.669 4.528 -10.682 1.00 0.00 C ATOM 756 CD2 TYR A 47 -10.765 4.899 -11.875 1.00 0.00 C ATOM 757 CE1 TYR A 47 -9.345 4.645 -9.455 1.00 0.00 C ATOM 758 CE2 TYR A 47 -11.445 5.024 -10.652 1.00 0.00 C ATOM 759 CZ TYR A 47 -10.736 4.897 -9.438 1.00 0.00 C ATOM 760 OH TYR A 47 -11.403 5.032 -8.258 1.00 0.00 O ATOM 0 H TYR A 47 -6.891 6.678 -12.156 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.684 5.622 -14.765 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.365 4.209 -13.975 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.904 3.741 -13.129 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -7.606 4.339 -10.696 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.308 4.989 -12.804 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.803 4.543 -8.527 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -12.508 5.217 -10.641 1.00 0.00 H new ATOM 0 HH TYR A 47 -10.798 5.399 -7.580 1.00 0.00 H new ATOM 770 N CYS A 48 -9.891 7.057 -14.520 1.00 0.00 N ATOM 771 CA CYS A 48 -10.894 8.114 -14.553 1.00 0.00 C ATOM 772 C CYS A 48 -12.037 7.694 -15.486 1.00 0.00 C ATOM 773 O CYS A 48 -12.186 6.509 -15.796 1.00 0.00 O ATOM 774 CB CYS A 48 -10.242 9.434 -15.007 1.00 0.00 C ATOM 775 SG CYS A 48 -9.540 9.236 -16.659 1.00 0.00 S ATOM 0 H CYS A 48 -10.036 6.343 -15.234 1.00 0.00 H new ATOM 0 HA CYS A 48 -11.308 8.275 -13.558 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -10.983 10.233 -15.011 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -9.462 9.725 -14.303 1.00 0.00 H new ATOM 0 HG CYS A 48 -10.496 9.241 -17.540 1.00 0.00 H new ATOM 781 N ASN A 49 -12.837 8.654 -15.961 1.00 0.00 N ATOM 782 CA ASN A 49 -13.793 8.407 -17.033 1.00 0.00 C ATOM 783 C ASN A 49 -13.034 8.372 -18.363 1.00 0.00 C ATOM 784 O ASN A 49 -12.280 9.300 -18.668 1.00 0.00 O ATOM 785 CB ASN A 49 -14.864 9.506 -17.065 1.00 0.00 C ATOM 786 CG ASN A 49 -15.841 9.254 -18.209 1.00 0.00 C ATOM 787 OD1 ASN A 49 -15.805 9.925 -19.235 1.00 0.00 O ATOM 788 ND2 ASN A 49 -16.710 8.264 -18.072 1.00 0.00 N ATOM 0 H ASN A 49 -12.837 9.613 -15.614 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.294 7.454 -16.863 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -15.401 9.529 -16.117 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.392 10.481 -17.188 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -17.362 8.050 -18.826 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -16.727 7.716 -17.212 1.00 0.00 H new ATOM 795 N ALA A 50 -13.240 7.310 -19.150 1.00 0.00 N ATOM 796 CA ALA A 50 -12.636 7.067 -20.466 1.00 0.00 C ATOM 797 C ALA A 50 -11.094 7.146 -20.513 1.00 0.00 C ATOM 798 O ALA A 50 -10.522 7.211 -21.602 1.00 0.00 O ATOM 799 CB ALA A 50 -13.311 7.971 -21.512 1.00 0.00 C ATOM 0 H ALA A 50 -13.867 6.555 -18.871 1.00 0.00 H new ATOM 0 HA ALA A 50 -12.828 6.022 -20.708 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -12.864 7.792 -22.490 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -14.377 7.746 -21.554 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -13.171 9.016 -21.235 1.00 0.00 H new ATOM 805 N GLY A 51 -10.406 7.142 -19.365 1.00 0.00 N ATOM 806 CA GLY A 51 -8.946 7.188 -19.286 1.00 0.00 C ATOM 807 C GLY A 51 -8.335 8.537 -19.698 1.00 0.00 C ATOM 808 O GLY A 51 -7.110 8.653 -19.725 1.00 0.00 O ATOM 0 H GLY A 51 -10.858 7.106 -18.451 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.641 6.961 -18.264 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.534 6.405 -19.923 1.00 0.00 H new ATOM 812 N ARG A 52 -9.128 9.572 -20.015 1.00 0.00 N ATOM 813 CA ARG A 52 -8.589 10.828 -20.559 1.00 0.00 C ATOM 814 C ARG A 52 -7.911 11.673 -19.514 1.00 0.00 C ATOM 815 O ARG A 52 -6.879 12.255 -19.830 1.00 0.00 O ATOM 816 CB ARG A 52 -9.666 11.645 -21.290 1.00 0.00 C ATOM 817 CG ARG A 52 -10.276 10.887 -22.480 1.00 0.00 C ATOM 818 CD ARG A 52 -11.368 11.717 -23.165 1.00 0.00 C ATOM 819 NE ARG A 52 -11.996 10.970 -24.270 1.00 0.00 N ATOM 820 CZ ARG A 52 -13.098 11.339 -24.936 1.00 0.00 C ATOM 821 NH1 ARG A 52 -13.725 12.475 -24.636 1.00 0.00 N ATOM 822 NH2 ARG A 52 -13.571 10.564 -25.907 1.00 0.00 N ATOM 0 H ARG A 52 -10.142 9.564 -19.904 1.00 0.00 H new ATOM 0 HA ARG A 52 -7.830 10.534 -21.283 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.457 11.908 -20.587 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.230 12.579 -21.644 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -9.494 10.645 -23.200 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.696 9.942 -22.136 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.127 11.996 -22.435 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.938 12.643 -23.547 1.00 0.00 H new ATOM 0 HE ARG A 52 -11.553 10.096 -24.552 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -13.367 13.074 -23.892 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -14.563 12.746 -25.150 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -13.095 9.693 -26.142 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -14.410 10.840 -26.417 1.00 0.00 H new ATOM 836 N GLN A 53 -8.441 11.764 -18.297 1.00 0.00 N ATOM 837 CA GLN A 53 -7.737 12.466 -17.230 1.00 0.00 C ATOM 838 C GLN A 53 -6.474 11.678 -16.854 1.00 0.00 C ATOM 839 O GLN A 53 -5.474 12.288 -16.496 1.00 0.00 O ATOM 840 CB GLN A 53 -8.632 12.755 -16.005 1.00 0.00 C ATOM 841 CG GLN A 53 -9.839 13.678 -16.263 1.00 0.00 C ATOM 842 CD GLN A 53 -11.057 12.891 -16.756 1.00 0.00 C ATOM 843 OE1 GLN A 53 -11.807 12.327 -15.967 1.00 0.00 O ATOM 844 NE2 GLN A 53 -11.266 12.792 -18.057 1.00 0.00 N ATOM 0 H GLN A 53 -9.341 11.367 -18.028 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.446 13.448 -17.603 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.000 11.806 -15.615 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.016 13.202 -15.225 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.095 14.208 -15.346 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.569 14.432 -17.002 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.641 13.262 -18.711 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -12.053 12.245 -18.407 1.00 0.00 H new ATOM 853 N SER A 54 -6.485 10.347 -16.987 1.00 0.00 N ATOM 854 CA SER A 54 -5.338 9.486 -16.699 1.00 0.00 C ATOM 855 C SER A 54 -4.216 9.681 -17.715 1.00 0.00 C ATOM 856 O SER A 54 -3.073 9.885 -17.313 1.00 0.00 O ATOM 857 CB SER A 54 -5.773 8.019 -16.668 1.00 0.00 C ATOM 858 OG SER A 54 -6.894 7.865 -15.820 1.00 0.00 O ATOM 0 H SER A 54 -7.306 9.831 -17.303 1.00 0.00 H new ATOM 0 HA SER A 54 -4.951 9.768 -15.720 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.020 7.683 -17.675 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.952 7.395 -16.316 1.00 0.00 H new ATOM 0 HG SER A 54 -7.697 8.192 -16.277 1.00 0.00 H new ATOM 864 N GLY A 55 -4.522 9.666 -19.016 1.00 0.00 N ATOM 865 CA GLY A 55 -3.532 9.903 -20.059 1.00 0.00 C ATOM 866 C GLY A 55 -2.962 11.313 -19.932 1.00 0.00 C ATOM 867 O GLY A 55 -1.746 11.499 -19.974 1.00 0.00 O ATOM 0 H GLY A 55 -5.462 9.489 -19.370 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.729 9.170 -19.982 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.989 9.774 -21.040 1.00 0.00 H new ATOM 871 N GLN A 56 -3.840 12.293 -19.693 1.00 0.00 N ATOM 872 CA GLN A 56 -3.456 13.674 -19.442 1.00 0.00 C ATOM 873 C GLN A 56 -2.513 13.779 -18.231 1.00 0.00 C ATOM 874 O GLN A 56 -1.463 14.417 -18.324 1.00 0.00 O ATOM 875 CB GLN A 56 -4.731 14.514 -19.267 1.00 0.00 C ATOM 876 CG GLN A 56 -5.220 15.021 -20.633 1.00 0.00 C ATOM 877 CD GLN A 56 -6.550 15.763 -20.526 1.00 0.00 C ATOM 878 OE1 GLN A 56 -6.617 16.987 -20.609 1.00 0.00 O ATOM 879 NE2 GLN A 56 -7.635 15.030 -20.343 1.00 0.00 N ATOM 0 H GLN A 56 -4.848 12.141 -19.670 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.896 14.064 -20.292 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.508 13.915 -18.793 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.532 15.358 -18.607 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.469 15.683 -21.064 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.329 14.177 -21.315 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.560 14.015 -20.277 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -8.548 15.480 -20.268 1.00 0.00 H new ATOM 888 N ALA A 57 -2.854 13.132 -17.111 1.00 0.00 N ATOM 889 CA ALA A 57 -2.038 13.144 -15.903 1.00 0.00 C ATOM 890 C ALA A 57 -0.704 12.425 -16.124 1.00 0.00 C ATOM 891 O ALA A 57 0.321 12.884 -15.628 1.00 0.00 O ATOM 892 CB ALA A 57 -2.808 12.514 -14.734 1.00 0.00 C ATOM 0 H ALA A 57 -3.710 12.584 -17.022 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.816 14.182 -15.656 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.187 12.530 -13.839 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.721 13.081 -14.552 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.064 11.483 -14.980 1.00 0.00 H new ATOM 898 N LYS A 58 -0.676 11.317 -16.871 1.00 0.00 N ATOM 899 CA LYS A 58 0.548 10.545 -17.073 1.00 0.00 C ATOM 900 C LYS A 58 1.654 11.402 -17.680 1.00 0.00 C ATOM 901 O LYS A 58 2.806 11.225 -17.290 1.00 0.00 O ATOM 902 CB LYS A 58 0.251 9.275 -17.890 1.00 0.00 C ATOM 903 CG LYS A 58 1.515 8.434 -18.147 1.00 0.00 C ATOM 904 CD LYS A 58 1.170 7.037 -18.685 1.00 0.00 C ATOM 905 CE LYS A 58 2.401 6.283 -19.218 1.00 0.00 C ATOM 906 NZ LYS A 58 3.429 6.008 -18.182 1.00 0.00 N ATOM 0 H LYS A 58 -1.493 10.935 -17.347 1.00 0.00 H new ATOM 0 HA LYS A 58 0.923 10.220 -16.103 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.484 8.669 -17.360 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.195 9.556 -18.844 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.156 8.950 -18.861 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.082 8.337 -17.221 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.706 6.451 -17.891 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.434 7.132 -19.483 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.076 5.338 -19.654 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.854 6.866 -20.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.179 5.412 -18.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.839 6.905 -17.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.989 5.514 -17.379 1.00 0.00 H new ATOM 920 N GLU A 59 1.335 12.341 -18.574 1.00 0.00 N ATOM 921 CA GLU A 59 2.345 13.208 -19.171 1.00 0.00 C ATOM 922 C GLU A 59 3.031 14.053 -18.091 1.00 0.00 C ATOM 923 O GLU A 59 4.256 13.998 -17.955 1.00 0.00 O ATOM 924 CB GLU A 59 1.725 14.100 -20.260 1.00 0.00 C ATOM 925 CG GLU A 59 1.256 13.290 -21.477 1.00 0.00 C ATOM 926 CD GLU A 59 0.756 14.207 -22.608 1.00 0.00 C ATOM 927 OE1 GLU A 59 -0.442 14.572 -22.627 1.00 0.00 O ATOM 928 OE2 GLU A 59 1.554 14.559 -23.508 1.00 0.00 O ATOM 0 H GLU A 59 0.384 12.518 -18.898 1.00 0.00 H new ATOM 0 HA GLU A 59 3.101 12.582 -19.644 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.880 14.646 -19.842 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.457 14.842 -20.580 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.077 12.674 -21.843 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.457 12.611 -21.178 1.00 0.00 H new ATOM 935 N ILE A 60 2.266 14.805 -17.290 1.00 0.00 N ATOM 936 CA ILE A 60 2.839 15.685 -16.281 1.00 0.00 C ATOM 937 C ILE A 60 3.483 14.880 -15.151 1.00 0.00 C ATOM 938 O ILE A 60 4.519 15.293 -14.641 1.00 0.00 O ATOM 939 CB ILE A 60 1.786 16.693 -15.771 1.00 0.00 C ATOM 940 CG1 ILE A 60 0.597 15.997 -15.075 1.00 0.00 C ATOM 941 CG2 ILE A 60 1.333 17.588 -16.942 1.00 0.00 C ATOM 942 CD1 ILE A 60 -0.506 16.925 -14.584 1.00 0.00 C ATOM 0 H ILE A 60 1.247 14.817 -17.326 1.00 0.00 H new ATOM 0 HA ILE A 60 3.637 16.268 -16.740 1.00 0.00 H new ATOM 0 HB ILE A 60 2.244 17.320 -15.006 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.162 15.278 -15.769 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.977 15.430 -14.225 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.589 18.302 -16.588 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.192 18.127 -17.341 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.897 16.969 -17.726 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.293 16.337 -14.111 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.094 17.629 -13.861 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.922 17.475 -15.428 1.00 0.00 H new ATOM 954 N LEU A 61 2.933 13.721 -14.778 1.00 0.00 N ATOM 955 CA LEU A 61 3.514 12.906 -13.719 1.00 0.00 C ATOM 956 C LEU A 61 4.841 12.301 -14.173 1.00 0.00 C ATOM 957 O LEU A 61 5.778 12.242 -13.375 1.00 0.00 O ATOM 958 CB LEU A 61 2.544 11.805 -13.264 1.00 0.00 C ATOM 959 CG LEU A 61 1.275 12.270 -12.525 1.00 0.00 C ATOM 960 CD1 LEU A 61 0.572 11.057 -11.903 1.00 0.00 C ATOM 961 CD2 LEU A 61 1.571 13.305 -11.442 1.00 0.00 C ATOM 0 H LEU A 61 2.088 13.331 -15.195 1.00 0.00 H new ATOM 0 HA LEU A 61 3.703 13.556 -12.865 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.238 11.235 -14.142 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.087 11.120 -12.613 1.00 0.00 H new ATOM 0 HG LEU A 61 0.628 12.750 -13.259 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.326 11.386 -11.380 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.297 10.353 -12.689 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.245 10.569 -11.198 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.641 13.597 -10.954 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.249 12.876 -10.704 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.035 14.182 -11.894 1.00 0.00 H new ATOM 973 N SER A 62 4.958 11.903 -15.442 1.00 0.00 N ATOM 974 CA SER A 62 6.225 11.437 -15.990 1.00 0.00 C ATOM 975 C SER A 62 7.249 12.580 -15.986 1.00 0.00 C ATOM 976 O SER A 62 8.403 12.356 -15.623 1.00 0.00 O ATOM 977 CB SER A 62 6.028 10.869 -17.401 1.00 0.00 C ATOM 978 OG SER A 62 5.060 9.833 -17.404 1.00 0.00 O ATOM 0 H SER A 62 4.185 11.896 -16.108 1.00 0.00 H new ATOM 0 HA SER A 62 6.608 10.632 -15.363 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.715 11.665 -18.076 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.976 10.486 -17.778 1.00 0.00 H new ATOM 0 HG SER A 62 4.200 10.189 -17.711 1.00 0.00 H new ATOM 984 N GLU A 63 6.834 13.810 -16.315 1.00 0.00 N ATOM 985 CA GLU A 63 7.704 14.985 -16.268 1.00 0.00 C ATOM 986 C GLU A 63 8.144 15.285 -14.824 1.00 0.00 C ATOM 987 O GLU A 63 9.313 15.595 -14.587 1.00 0.00 O ATOM 988 CB GLU A 63 6.982 16.178 -16.918 1.00 0.00 C ATOM 989 CG GLU A 63 7.896 17.400 -17.079 1.00 0.00 C ATOM 990 CD GLU A 63 7.180 18.548 -17.814 1.00 0.00 C ATOM 991 OE1 GLU A 63 7.256 18.621 -19.062 1.00 0.00 O ATOM 992 OE2 GLU A 63 6.555 19.407 -17.151 1.00 0.00 O ATOM 0 H GLU A 63 5.883 14.015 -16.621 1.00 0.00 H new ATOM 0 HA GLU A 63 8.615 14.789 -16.834 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.603 15.880 -17.896 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.119 16.451 -16.311 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.223 17.743 -16.097 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.791 17.115 -17.632 1.00 0.00 H new ATOM 999 N MET A 64 7.236 15.139 -13.850 1.00 0.00 N ATOM 1000 CA MET A 64 7.530 15.276 -12.421 1.00 0.00 C ATOM 1001 C MET A 64 8.434 14.145 -11.909 1.00 0.00 C ATOM 1002 O MET A 64 9.033 14.293 -10.842 1.00 0.00 O ATOM 1003 CB MET A 64 6.226 15.342 -11.607 1.00 0.00 C ATOM 1004 CG MET A 64 5.473 16.662 -11.825 1.00 0.00 C ATOM 1005 SD MET A 64 3.831 16.758 -11.051 1.00 0.00 S ATOM 1006 CE MET A 64 4.298 16.934 -9.307 1.00 0.00 C ATOM 0 H MET A 64 6.258 14.918 -14.039 1.00 0.00 H new ATOM 0 HA MET A 64 8.075 16.210 -12.287 1.00 0.00 H new ATOM 0 HB2 MET A 64 5.582 14.508 -11.887 1.00 0.00 H new ATOM 0 HB3 MET A 64 6.455 15.227 -10.548 1.00 0.00 H new ATOM 0 HG2 MET A 64 6.085 17.478 -11.441 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.361 16.824 -12.897 1.00 0.00 H new ATOM 0 HE1 MET A 64 3.400 17.042 -8.699 1.00 0.00 H new ATOM 0 HE2 MET A 64 4.849 16.050 -8.987 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.926 17.817 -9.186 1.00 0.00 H new ATOM 1016 N GLY A 65 8.564 13.037 -12.644 1.00 0.00 N ATOM 1017 CA GLY A 65 9.547 11.992 -12.386 1.00 0.00 C ATOM 1018 C GLY A 65 8.943 10.694 -11.851 1.00 0.00 C ATOM 1019 O GLY A 65 9.703 9.819 -11.438 1.00 0.00 O ATOM 0 H GLY A 65 7.973 12.841 -13.452 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.086 11.777 -13.309 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.279 12.364 -11.669 1.00 0.00 H new ATOM 1023 N TYR A 66 7.614 10.547 -11.823 1.00 0.00 N ATOM 1024 CA TYR A 66 6.982 9.278 -11.476 1.00 0.00 C ATOM 1025 C TYR A 66 7.176 8.328 -12.656 1.00 0.00 C ATOM 1026 O TYR A 66 6.541 8.480 -13.700 1.00 0.00 O ATOM 1027 CB TYR A 66 5.494 9.451 -11.145 1.00 0.00 C ATOM 1028 CG TYR A 66 5.212 10.245 -9.883 1.00 0.00 C ATOM 1029 CD1 TYR A 66 5.214 11.654 -9.909 1.00 0.00 C ATOM 1030 CD2 TYR A 66 4.955 9.569 -8.675 1.00 0.00 C ATOM 1031 CE1 TYR A 66 4.996 12.385 -8.728 1.00 0.00 C ATOM 1032 CE2 TYR A 66 4.738 10.293 -7.491 1.00 0.00 C ATOM 1033 CZ TYR A 66 4.770 11.706 -7.509 1.00 0.00 C ATOM 1034 OH TYR A 66 4.597 12.417 -6.364 1.00 0.00 O ATOM 0 H TYR A 66 6.957 11.297 -12.038 1.00 0.00 H new ATOM 0 HA TYR A 66 7.445 8.871 -10.577 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.004 9.944 -11.985 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.041 8.465 -11.046 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.384 12.174 -10.840 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.925 8.490 -8.659 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.001 13.465 -8.752 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.547 9.769 -6.566 1.00 0.00 H new ATOM 0 HH TYR A 66 4.778 11.842 -5.591 1.00 0.00 H new ATOM 1044 N THR A 67 8.068 7.354 -12.506 1.00 0.00 N ATOM 1045 CA THR A 67 8.489 6.458 -13.578 1.00 0.00 C ATOM 1046 C THR A 67 7.565 5.234 -13.740 1.00 0.00 C ATOM 1047 O THR A 67 7.839 4.375 -14.581 1.00 0.00 O ATOM 1048 CB THR A 67 9.974 6.093 -13.333 1.00 0.00 C ATOM 1049 OG1 THR A 67 10.291 6.016 -11.951 1.00 0.00 O ATOM 1050 CG2 THR A 67 10.883 7.182 -13.915 1.00 0.00 C ATOM 0 H THR A 67 8.528 7.161 -11.616 1.00 0.00 H new ATOM 0 HA THR A 67 8.402 6.965 -14.539 1.00 0.00 H new ATOM 0 HB THR A 67 10.129 5.124 -13.806 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.362 5.076 -11.683 1.00 0.00 H new ATOM 0 HG21 THR A 67 11.926 6.918 -13.739 1.00 0.00 H new ATOM 0 HG22 THR A 67 10.707 7.268 -14.987 1.00 0.00 H new ATOM 0 HG23 THR A 67 10.664 8.135 -13.433 1.00 0.00 H new ATOM 1058 N HIS A 68 6.470 5.140 -12.966 1.00 0.00 N ATOM 1059 CA HIS A 68 5.631 3.939 -12.865 1.00 0.00 C ATOM 1060 C HIS A 68 4.141 4.297 -12.862 1.00 0.00 C ATOM 1061 O HIS A 68 3.325 3.644 -12.210 1.00 0.00 O ATOM 1062 CB HIS A 68 6.025 3.116 -11.622 1.00 0.00 C ATOM 1063 CG HIS A 68 7.510 2.974 -11.418 1.00 0.00 C ATOM 1064 ND1 HIS A 68 8.332 1.976 -11.891 1.00 0.00 N ATOM 1065 CD2 HIS A 68 8.305 3.893 -10.795 1.00 0.00 C ATOM 1066 CE1 HIS A 68 9.596 2.293 -11.561 1.00 0.00 C ATOM 1067 NE2 HIS A 68 9.634 3.459 -10.885 1.00 0.00 N ATOM 0 H HIS A 68 6.140 5.910 -12.385 1.00 0.00 H new ATOM 0 HA HIS A 68 5.804 3.322 -13.746 1.00 0.00 H new ATOM 0 HB2 HIS A 68 5.592 3.585 -10.738 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.585 2.122 -11.704 1.00 0.00 H new ATOM 0 HD1 HIS A 68 8.035 1.144 -12.401 1.00 0.00 H new ATOM 0 HD2 HIS A 68 7.967 4.799 -10.315 1.00 0.00 H new ATOM 0 HE1 HIS A 68 10.462 1.696 -11.804 1.00 0.00 H new ATOM 1075 N VAL A 69 3.781 5.375 -13.553 1.00 0.00 N ATOM 1076 CA VAL A 69 2.383 5.729 -13.770 1.00 0.00 C ATOM 1077 C VAL A 69 1.854 4.767 -14.831 1.00 0.00 C ATOM 1078 O VAL A 69 2.478 4.618 -15.887 1.00 0.00 O ATOM 1079 CB VAL A 69 2.260 7.198 -14.219 1.00 0.00 C ATOM 1080 CG1 VAL A 69 0.789 7.624 -14.330 1.00 0.00 C ATOM 1081 CG2 VAL A 69 2.973 8.155 -13.258 1.00 0.00 C ATOM 0 H VAL A 69 4.446 6.023 -13.975 1.00 0.00 H new ATOM 0 HA VAL A 69 1.800 5.641 -12.853 1.00 0.00 H new ATOM 0 HB VAL A 69 2.737 7.257 -15.197 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.735 8.665 -14.649 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.282 6.994 -15.061 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.305 7.516 -13.360 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.860 9.179 -13.614 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.535 8.066 -12.264 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.032 7.902 -13.212 1.00 0.00 H new ATOM 1091 N GLU A 70 0.709 4.140 -14.581 1.00 0.00 N ATOM 1092 CA GLU A 70 0.100 3.184 -15.490 1.00 0.00 C ATOM 1093 C GLU A 70 -1.407 3.399 -15.426 1.00 0.00 C ATOM 1094 O GLU A 70 -1.980 3.453 -14.336 1.00 0.00 O ATOM 1095 CB GLU A 70 0.505 1.763 -15.065 1.00 0.00 C ATOM 1096 CG GLU A 70 -0.075 0.693 -15.998 1.00 0.00 C ATOM 1097 CD GLU A 70 0.437 -0.708 -15.627 1.00 0.00 C ATOM 1098 OE1 GLU A 70 -0.009 -1.259 -14.596 1.00 0.00 O ATOM 1099 OE2 GLU A 70 1.272 -1.274 -16.370 1.00 0.00 O ATOM 0 H GLU A 70 0.172 4.287 -13.726 1.00 0.00 H new ATOM 0 HA GLU A 70 0.434 3.320 -16.519 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.592 1.684 -15.056 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.163 1.579 -14.046 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.163 0.711 -15.943 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.196 0.921 -17.029 1.00 0.00 H new ATOM 1106 N ASN A 71 -2.054 3.548 -16.586 1.00 0.00 N ATOM 1107 CA ASN A 71 -3.504 3.651 -16.630 1.00 0.00 C ATOM 1108 C ASN A 71 -4.107 2.269 -16.401 1.00 0.00 C ATOM 1109 O ASN A 71 -3.972 1.389 -17.253 1.00 0.00 O ATOM 1110 CB ASN A 71 -4.006 4.271 -17.940 1.00 0.00 C ATOM 1111 CG ASN A 71 -5.533 4.225 -18.016 1.00 0.00 C ATOM 1112 OD1 ASN A 71 -6.100 3.759 -18.998 1.00 0.00 O ATOM 1113 ND2 ASN A 71 -6.234 4.674 -16.984 1.00 0.00 N ATOM 0 H ASN A 71 -1.596 3.599 -17.496 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.827 4.325 -15.837 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.665 5.304 -18.012 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.579 3.735 -18.788 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.253 4.633 -17.003 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.754 5.060 -16.171 1.00 0.00 H new ATOM 1120 N ALA A 72 -4.765 2.081 -15.255 1.00 0.00 N ATOM 1121 CA ALA A 72 -5.430 0.827 -14.922 1.00 0.00 C ATOM 1122 C ALA A 72 -6.615 0.551 -15.859 1.00 0.00 C ATOM 1123 O ALA A 72 -6.921 -0.611 -16.131 1.00 0.00 O ATOM 1124 CB ALA A 72 -5.894 0.866 -13.464 1.00 0.00 C ATOM 0 H ALA A 72 -4.850 2.797 -14.533 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.717 0.013 -15.053 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.391 -0.072 -13.215 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.032 1.004 -12.811 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.590 1.693 -13.326 1.00 0.00 H new ATOM 1130 N GLY A 73 -7.275 1.604 -16.352 1.00 0.00 N ATOM 1131 CA GLY A 73 -8.421 1.525 -17.246 1.00 0.00 C ATOM 1132 C GLY A 73 -9.322 2.734 -17.028 1.00 0.00 C ATOM 1133 O GLY A 73 -8.859 3.783 -16.569 1.00 0.00 O ATOM 0 H GLY A 73 -7.013 2.564 -16.129 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.085 1.491 -18.282 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.977 0.606 -17.061 1.00 0.00 H new ATOM 1137 N GLY A 74 -10.609 2.578 -17.331 1.00 0.00 N ATOM 1138 CA GLY A 74 -11.637 3.554 -17.003 1.00 0.00 C ATOM 1139 C GLY A 74 -12.641 2.938 -16.035 1.00 0.00 C ATOM 1140 O GLY A 74 -12.668 1.716 -15.868 1.00 0.00 O ATOM 0 H GLY A 74 -10.969 1.757 -17.818 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -11.183 4.439 -16.557 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.145 3.880 -17.910 1.00 0.00 H new ATOM 1144 N LEU A 75 -13.467 3.782 -15.410 1.00 0.00 N ATOM 1145 CA LEU A 75 -14.375 3.426 -14.311 1.00 0.00 C ATOM 1146 C LEU A 75 -15.149 2.126 -14.563 1.00 0.00 C ATOM 1147 O LEU A 75 -15.173 1.249 -13.701 1.00 0.00 O ATOM 1148 CB LEU A 75 -15.352 4.597 -14.089 1.00 0.00 C ATOM 1149 CG LEU A 75 -16.304 4.451 -12.878 1.00 0.00 C ATOM 1150 CD1 LEU A 75 -15.551 4.601 -11.550 1.00 0.00 C ATOM 1151 CD2 LEU A 75 -17.398 5.515 -13.008 1.00 0.00 C ATOM 0 H LEU A 75 -13.525 4.768 -15.663 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.772 3.247 -13.421 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -14.773 5.512 -13.965 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -15.954 4.720 -14.989 1.00 0.00 H new ATOM 0 HG LEU A 75 -16.745 3.454 -12.876 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -16.250 4.493 -10.721 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -14.782 3.832 -11.479 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -15.085 5.585 -11.505 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -18.085 5.435 -12.166 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -16.943 6.506 -13.013 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -17.945 5.362 -13.938 1.00 0.00 H new ATOM 1163 N LYS A 76 -15.785 2.002 -15.733 1.00 0.00 N ATOM 1164 CA LYS A 76 -16.616 0.842 -16.062 1.00 0.00 C ATOM 1165 C LYS A 76 -15.757 -0.365 -16.448 1.00 0.00 C ATOM 1166 O LYS A 76 -16.119 -1.497 -16.130 1.00 0.00 O ATOM 1167 CB LYS A 76 -17.585 1.230 -17.195 1.00 0.00 C ATOM 1168 CG LYS A 76 -18.632 0.142 -17.481 1.00 0.00 C ATOM 1169 CD LYS A 76 -19.637 0.608 -18.544 1.00 0.00 C ATOM 1170 CE LYS A 76 -20.668 -0.497 -18.814 1.00 0.00 C ATOM 1171 NZ LYS A 76 -21.666 -0.096 -19.836 1.00 0.00 N ATOM 0 H LYS A 76 -15.738 2.701 -16.475 1.00 0.00 H new ATOM 0 HA LYS A 76 -17.191 0.548 -15.184 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -18.094 2.157 -16.930 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -17.015 1.427 -18.103 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -18.134 -0.766 -17.820 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -19.161 -0.109 -16.561 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -20.142 1.513 -18.206 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -19.113 0.860 -19.466 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -20.153 -1.399 -19.146 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -21.182 -0.747 -17.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -22.341 -0.873 -19.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -22.177 0.749 -19.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -21.180 0.117 -20.731 1.00 0.00 H new ATOM 1185 N ASP A 77 -14.643 -0.134 -17.146 1.00 0.00 N ATOM 1186 CA ASP A 77 -13.791 -1.195 -17.683 1.00 0.00 C ATOM 1187 C ASP A 77 -13.042 -1.936 -16.573 1.00 0.00 C ATOM 1188 O ASP A 77 -12.858 -3.151 -16.655 1.00 0.00 O ATOM 1189 CB ASP A 77 -12.783 -0.601 -18.673 1.00 0.00 C ATOM 1190 CG ASP A 77 -11.829 -1.681 -19.210 1.00 0.00 C ATOM 1191 OD1 ASP A 77 -12.260 -2.517 -20.037 1.00 0.00 O ATOM 1192 OD2 ASP A 77 -10.636 -1.675 -18.836 1.00 0.00 O ATOM 0 H ASP A 77 -14.304 0.805 -17.356 1.00 0.00 H new ATOM 0 HA ASP A 77 -14.435 -1.912 -18.192 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -13.315 -0.137 -19.503 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -12.208 0.185 -18.183 1.00 0.00 H new ATOM 1197 N ILE A 78 -12.625 -1.212 -15.530 1.00 0.00 N ATOM 1198 CA ILE A 78 -11.931 -1.762 -14.370 1.00 0.00 C ATOM 1199 C ILE A 78 -12.860 -2.768 -13.679 1.00 0.00 C ATOM 1200 O ILE A 78 -14.009 -2.446 -13.371 1.00 0.00 O ATOM 1201 CB ILE A 78 -11.477 -0.587 -13.469 1.00 0.00 C ATOM 1202 CG1 ILE A 78 -10.272 0.107 -14.142 1.00 0.00 C ATOM 1203 CG2 ILE A 78 -11.102 -1.035 -12.045 1.00 0.00 C ATOM 1204 CD1 ILE A 78 -9.958 1.489 -13.570 1.00 0.00 C ATOM 0 H ILE A 78 -12.766 -0.203 -15.471 1.00 0.00 H new ATOM 0 HA ILE A 78 -11.029 -2.311 -14.642 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.315 0.102 -13.363 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.393 -0.528 -14.036 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -10.469 0.202 -15.210 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.792 -0.169 -11.461 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -11.965 -1.502 -11.571 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.283 -1.752 -12.093 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -9.100 1.913 -14.093 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -10.821 2.142 -13.701 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.728 1.400 -12.508 1.00 0.00 H new ATOM 1216 N ALA A 79 -12.355 -3.978 -13.414 1.00 0.00 N ATOM 1217 CA ALA A 79 -13.131 -5.072 -12.830 1.00 0.00 C ATOM 1218 C ALA A 79 -13.290 -4.960 -11.303 1.00 0.00 C ATOM 1219 O ALA A 79 -14.058 -5.725 -10.716 1.00 0.00 O ATOM 1220 CB ALA A 79 -12.461 -6.404 -13.193 1.00 0.00 C ATOM 0 H ALA A 79 -11.384 -4.226 -13.602 1.00 0.00 H new ATOM 0 HA ALA A 79 -14.137 -5.017 -13.245 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.031 -7.227 -12.763 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.430 -6.512 -14.277 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.445 -6.420 -12.797 1.00 0.00 H new ATOM 1226 N MET A 80 -12.558 -4.049 -10.650 1.00 0.00 N ATOM 1227 CA MET A 80 -12.624 -3.841 -9.201 1.00 0.00 C ATOM 1228 C MET A 80 -14.039 -3.411 -8.776 1.00 0.00 C ATOM 1229 O MET A 80 -14.749 -2.800 -9.584 1.00 0.00 O ATOM 1230 CB MET A 80 -11.611 -2.768 -8.766 1.00 0.00 C ATOM 1231 CG MET A 80 -10.147 -3.148 -9.020 1.00 0.00 C ATOM 1232 SD MET A 80 -9.520 -4.543 -8.041 1.00 0.00 S ATOM 1233 CE MET A 80 -9.348 -3.746 -6.419 1.00 0.00 C ATOM 0 H MET A 80 -11.897 -3.430 -11.119 1.00 0.00 H new ATOM 0 HA MET A 80 -12.380 -4.785 -8.715 1.00 0.00 H new ATOM 0 HB2 MET A 80 -11.831 -1.841 -9.295 1.00 0.00 H new ATOM 0 HB3 MET A 80 -11.744 -2.568 -7.703 1.00 0.00 H new ATOM 0 HG2 MET A 80 -10.030 -3.387 -10.077 1.00 0.00 H new ATOM 0 HG3 MET A 80 -9.524 -2.277 -8.819 1.00 0.00 H new ATOM 0 HE1 MET A 80 -8.921 -4.454 -5.709 1.00 0.00 H new ATOM 0 HE2 MET A 80 -8.692 -2.880 -6.507 1.00 0.00 H new ATOM 0 HE3 MET A 80 -10.328 -3.425 -6.066 1.00 0.00 H new ATOM 1243 N PRO A 81 -14.452 -3.670 -7.522 1.00 0.00 N ATOM 1244 CA PRO A 81 -15.704 -3.153 -6.981 1.00 0.00 C ATOM 1245 C PRO A 81 -15.637 -1.631 -6.791 1.00 0.00 C ATOM 1246 O PRO A 81 -14.555 -1.043 -6.701 1.00 0.00 O ATOM 1247 CB PRO A 81 -15.910 -3.891 -5.653 1.00 0.00 C ATOM 1248 CG PRO A 81 -14.489 -4.226 -5.204 1.00 0.00 C ATOM 1249 CD PRO A 81 -13.753 -4.466 -6.520 1.00 0.00 C ATOM 0 HA PRO A 81 -16.542 -3.323 -7.657 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -16.424 -3.266 -4.923 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -16.512 -4.790 -5.783 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.043 -3.409 -4.637 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -14.467 -5.108 -4.564 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -12.708 -4.166 -6.443 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -13.763 -5.523 -6.785 1.00 0.00 H new ATOM 1257 N LYS A 82 -16.804 -0.991 -6.683 1.00 0.00 N ATOM 1258 CA LYS A 82 -16.946 0.455 -6.514 1.00 0.00 C ATOM 1259 C LYS A 82 -17.868 0.733 -5.332 1.00 0.00 C ATOM 1260 O LYS A 82 -18.591 -0.155 -4.873 1.00 0.00 O ATOM 1261 CB LYS A 82 -17.513 1.134 -7.784 1.00 0.00 C ATOM 1262 CG LYS A 82 -16.632 1.049 -9.041 1.00 0.00 C ATOM 1263 CD LYS A 82 -16.935 -0.193 -9.888 1.00 0.00 C ATOM 1264 CE LYS A 82 -16.006 -0.251 -11.104 1.00 0.00 C ATOM 1265 NZ LYS A 82 -16.072 -1.572 -11.765 1.00 0.00 N ATOM 0 H LYS A 82 -17.699 -1.479 -6.712 1.00 0.00 H new ATOM 0 HA LYS A 82 -15.955 0.872 -6.332 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -18.480 0.686 -8.011 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -17.693 2.186 -7.561 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -16.781 1.943 -9.647 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -15.583 1.036 -8.745 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -16.810 -1.092 -9.284 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -17.974 -0.172 -10.217 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -16.283 0.528 -11.814 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -14.981 -0.048 -10.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.360 -1.618 -12.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -15.883 -2.319 -11.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -17.019 -1.710 -12.172 1.00 0.00 H new ATOM 1279 N VAL A 83 -17.882 1.985 -4.893 1.00 0.00 N ATOM 1280 CA VAL A 83 -18.819 2.530 -3.922 1.00 0.00 C ATOM 1281 C VAL A 83 -19.359 3.835 -4.509 1.00 0.00 C ATOM 1282 O VAL A 83 -18.668 4.486 -5.297 1.00 0.00 O ATOM 1283 CB VAL A 83 -18.124 2.733 -2.556 1.00 0.00 C ATOM 1284 CG1 VAL A 83 -17.810 1.382 -1.897 1.00 0.00 C ATOM 1285 CG2 VAL A 83 -16.825 3.557 -2.630 1.00 0.00 C ATOM 0 H VAL A 83 -17.209 2.679 -5.220 1.00 0.00 H new ATOM 0 HA VAL A 83 -19.648 1.847 -3.735 1.00 0.00 H new ATOM 0 HB VAL A 83 -18.837 3.300 -1.957 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -17.321 1.550 -0.937 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -18.736 0.829 -1.741 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -17.149 0.806 -2.545 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.399 3.654 -1.632 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -16.111 3.053 -3.282 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -17.045 4.547 -3.029 1.00 0.00 H new ATOM 1295 N LYS A 84 -20.589 4.220 -4.154 1.00 0.00 N ATOM 1296 CA LYS A 84 -21.103 5.549 -4.486 1.00 0.00 C ATOM 1297 C LYS A 84 -20.310 6.575 -3.675 1.00 0.00 C ATOM 1298 O LYS A 84 -19.928 6.292 -2.533 1.00 0.00 O ATOM 1299 CB LYS A 84 -22.606 5.662 -4.177 1.00 0.00 C ATOM 1300 CG LYS A 84 -23.505 4.634 -4.891 1.00 0.00 C ATOM 1301 CD LYS A 84 -23.430 4.615 -6.427 1.00 0.00 C ATOM 1302 CE LYS A 84 -23.786 5.974 -7.051 1.00 0.00 C ATOM 1303 NZ LYS A 84 -24.015 5.880 -8.514 1.00 0.00 N ATOM 0 H LYS A 84 -21.244 3.631 -3.639 1.00 0.00 H new ATOM 0 HA LYS A 84 -20.984 5.732 -5.554 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -22.748 5.558 -3.101 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -22.941 6.663 -4.448 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -23.248 3.641 -4.523 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -24.539 4.823 -4.601 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -22.424 4.330 -6.735 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -24.109 3.854 -6.811 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -24.681 6.369 -6.570 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -22.981 6.683 -6.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -24.350 6.797 -8.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -23.125 5.627 -8.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -24.730 5.150 -8.707 1.00 0.00 H new ATOM 1317 N GLY A 85 -20.120 7.774 -4.229 1.00 0.00 N ATOM 1318 CA GLY A 85 -19.206 8.754 -3.660 1.00 0.00 C ATOM 1319 C GLY A 85 -17.823 8.132 -3.494 1.00 0.00 C ATOM 1320 O GLY A 85 -17.195 8.364 -2.440 1.00 0.00 O ATOM 1321 OXT GLY A 85 -17.380 7.425 -4.422 1.00 0.00 O ATOM 0 H GLY A 85 -20.593 8.087 -5.077 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -19.146 9.629 -4.307 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -19.579 9.096 -2.695 1.00 0.00 H new TER 1325 GLY A 85