USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 677 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 5 MET CE :methyl -120:sc= -7.01! (180deg=-17.2!) USER MOD Set 1.2: A 70 THR OG1 : rot -83:sc= 0.364 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -112:sc= 0.0385 (180deg=-0.00931) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0.496 X(o=0.5,f=0.084) USER MOD Single : A 14 TYR OH : rot 30:sc= -0.587 USER MOD Single : A 15 SER OG : rot 42:sc= 1.05 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.276 USER MOD Single : A 18 THR OG1 : rot -25:sc= -2.2! USER MOD Single : A 20 SER OG : rot 180:sc= 0.0171 USER MOD Single : A 24 THR OG1 : rot -150:sc= -0.639 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.111) USER MOD Single : A 34 THR OG1 : rot 26:sc= 0.691 USER MOD Single : A 36 THR OG1 : rot -63:sc= 0.588 USER MOD Single : A 43 GLN : amide:sc= -1.93 X(o=-1.9,f=-2.4) USER MOD Single : A 44 LYS NZ :NH3+ -155:sc= -0.0954 (180deg=-0.449) USER MOD Single : A 49 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.991) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 161:sc= -0.0564 (180deg=-0.408) USER MOD Single : A 57 ASN : amide:sc= -0.205 X(o=-0.21,f=-0.34) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc=-0.00175 X(o=-0.0018,f=-0.0018) USER MOD Single : A 71 LYS NZ :NH3+ -114:sc= -0.44 (180deg=-2.21!) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -169:sc= -0.735 (180deg=-1.31) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 62:sc= 0.156 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.129 -0.874 0.436 1.00 0.00 N ATOM 2 CA MET A 1 1.823 -0.706 -0.836 1.00 0.00 C ATOM 3 C MET A 1 3.316 -0.973 -0.680 1.00 0.00 C ATOM 4 O MET A 1 3.888 -0.749 0.387 1.00 0.00 O ATOM 5 CB MET A 1 1.599 0.706 -1.381 1.00 0.00 C ATOM 6 CG MET A 1 0.154 0.990 -1.758 1.00 0.00 C ATOM 7 SD MET A 1 0.004 2.270 -3.018 1.00 0.00 S ATOM 8 CE MET A 1 -0.320 3.709 -2.003 1.00 0.00 C ATOM 0 H1 MET A 1 0.509 -1.707 0.386 1.00 0.00 H new ATOM 0 H2 MET A 1 1.826 -1.007 1.197 1.00 0.00 H new ATOM 0 H3 MET A 1 0.557 -0.028 0.634 1.00 0.00 H new ATOM 0 HA MET A 1 1.415 -1.429 -1.542 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.920 1.431 -0.633 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.230 0.853 -2.258 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.310 0.073 -2.121 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.396 1.295 -0.868 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.437 4.585 -2.641 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.234 3.552 -1.431 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.514 3.867 -1.319 1.00 0.00 H new ATOM 18 N ALA A 2 3.943 -1.451 -1.750 1.00 0.00 N ATOM 19 CA ALA A 2 5.370 -1.746 -1.731 1.00 0.00 C ATOM 20 C ALA A 2 6.144 -0.768 -2.608 1.00 0.00 C ATOM 21 O ALA A 2 5.685 -0.387 -3.685 1.00 0.00 O ATOM 22 CB ALA A 2 5.619 -3.177 -2.185 1.00 0.00 C ATOM 0 H ALA A 2 3.485 -1.642 -2.641 1.00 0.00 H new ATOM 0 HA ALA A 2 5.726 -1.635 -0.707 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.689 -3.384 -2.166 1.00 0.00 H new ATOM 0 HB2 ALA A 2 5.104 -3.866 -1.515 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.242 -3.308 -3.199 1.00 0.00 H new ATOM 28 N LEU A 3 7.320 -0.365 -2.141 1.00 0.00 N ATOM 29 CA LEU A 3 8.159 0.570 -2.883 1.00 0.00 C ATOM 30 C LEU A 3 9.579 0.032 -3.026 1.00 0.00 C ATOM 31 O LEU A 3 10.104 -0.647 -2.143 1.00 0.00 O ATOM 32 CB LEU A 3 8.184 1.929 -2.182 1.00 0.00 C ATOM 33 CG LEU A 3 6.849 2.420 -1.621 1.00 0.00 C ATOM 34 CD1 LEU A 3 6.684 1.979 -0.175 1.00 0.00 C ATOM 35 CD2 LEU A 3 6.748 3.934 -1.733 1.00 0.00 C ATOM 0 H LEU A 3 7.715 -0.671 -1.252 1.00 0.00 H new ATOM 0 HA LEU A 3 7.734 0.690 -3.880 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.903 1.880 -1.364 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.554 2.673 -2.888 1.00 0.00 H new ATOM 0 HG LEU A 3 6.045 1.978 -2.209 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.728 2.337 0.208 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.711 0.891 -0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.494 2.393 0.426 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.792 4.266 -1.329 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.559 4.395 -1.170 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.821 4.227 -2.780 1.00 0.00 H new ATOM 47 N PRO A 4 10.218 0.344 -4.163 1.00 0.00 N ATOM 48 CA PRO A 4 11.587 -0.096 -4.448 1.00 0.00 C ATOM 49 C PRO A 4 12.616 0.602 -3.564 1.00 0.00 C ATOM 50 O PRO A 4 13.111 1.677 -3.902 1.00 0.00 O ATOM 51 CB PRO A 4 11.788 0.296 -5.914 1.00 0.00 C ATOM 52 CG PRO A 4 10.842 1.425 -6.137 1.00 0.00 C ATOM 53 CD PRO A 4 9.653 1.149 -5.259 1.00 0.00 C ATOM 0 HA PRO A 4 11.721 -1.160 -4.255 1.00 0.00 H new ATOM 0 HB2 PRO A 4 12.818 0.598 -6.105 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.572 -0.539 -6.580 1.00 0.00 H new ATOM 0 HG2 PRO A 4 11.304 2.378 -5.880 1.00 0.00 H new ATOM 0 HG3 PRO A 4 10.548 1.486 -7.185 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.203 2.071 -4.890 1.00 0.00 H new ATOM 0 HD3 PRO A 4 8.874 0.607 -5.796 1.00 0.00 H new ATOM 61 N MET A 5 12.932 -0.016 -2.431 1.00 0.00 N ATOM 62 CA MET A 5 13.903 0.546 -1.500 1.00 0.00 C ATOM 63 C MET A 5 14.760 -0.553 -0.878 1.00 0.00 C ATOM 64 O MET A 5 14.464 -1.739 -1.023 1.00 0.00 O ATOM 65 CB MET A 5 13.190 1.336 -0.401 1.00 0.00 C ATOM 66 CG MET A 5 11.827 1.863 -0.818 1.00 0.00 C ATOM 67 SD MET A 5 11.003 2.779 0.498 1.00 0.00 S ATOM 68 CE MET A 5 10.049 3.958 -0.454 1.00 0.00 C ATOM 0 H MET A 5 12.530 -0.906 -2.136 1.00 0.00 H new ATOM 0 HA MET A 5 14.555 1.219 -2.057 1.00 0.00 H new ATOM 0 HB2 MET A 5 13.071 0.698 0.475 1.00 0.00 H new ATOM 0 HB3 MET A 5 13.819 2.175 -0.102 1.00 0.00 H new ATOM 0 HG2 MET A 5 11.943 2.510 -1.688 1.00 0.00 H new ATOM 0 HG3 MET A 5 11.197 1.028 -1.123 1.00 0.00 H new ATOM 0 HE1 MET A 5 10.349 4.971 -0.185 1.00 0.00 H new ATOM 0 HE2 MET A 5 10.227 3.797 -1.517 1.00 0.00 H new ATOM 0 HE3 MET A 5 8.988 3.825 -0.240 1.00 0.00 H new ATOM 78 N ILE A 6 15.821 -0.150 -0.187 1.00 0.00 N ATOM 79 CA ILE A 6 16.719 -1.101 0.456 1.00 0.00 C ATOM 80 C ILE A 6 16.667 -0.966 1.974 1.00 0.00 C ATOM 81 O ILE A 6 16.784 0.134 2.515 1.00 0.00 O ATOM 82 CB ILE A 6 18.172 -0.911 -0.016 1.00 0.00 C ATOM 83 CG1 ILE A 6 18.278 -1.151 -1.523 1.00 0.00 C ATOM 84 CG2 ILE A 6 19.102 -1.847 0.742 1.00 0.00 C ATOM 85 CD1 ILE A 6 19.528 -0.566 -2.142 1.00 0.00 C ATOM 0 H ILE A 6 16.080 0.828 -0.058 1.00 0.00 H new ATOM 0 HA ILE A 6 16.381 -2.097 0.171 1.00 0.00 H new ATOM 0 HB ILE A 6 18.474 0.116 0.191 1.00 0.00 H new ATOM 0 HG12 ILE A 6 18.256 -2.224 -1.714 1.00 0.00 H new ATOM 0 HG13 ILE A 6 17.404 -0.722 -2.013 1.00 0.00 H new ATOM 0 HG21 ILE A 6 20.126 -1.701 0.397 1.00 0.00 H new ATOM 0 HG22 ILE A 6 19.044 -1.632 1.809 1.00 0.00 H new ATOM 0 HG23 ILE A 6 18.803 -2.880 0.564 1.00 0.00 H new ATOM 0 HD11 ILE A 6 19.536 -0.774 -3.212 1.00 0.00 H new ATOM 0 HD12 ILE A 6 19.543 0.512 -1.982 1.00 0.00 H new ATOM 0 HD13 ILE A 6 20.407 -1.014 -1.679 1.00 0.00 H new ATOM 97 N VAL A 7 16.492 -2.092 2.658 1.00 0.00 N ATOM 98 CA VAL A 7 16.428 -2.101 4.114 1.00 0.00 C ATOM 99 C VAL A 7 17.735 -2.602 4.719 1.00 0.00 C ATOM 100 O VAL A 7 18.295 -3.603 4.271 1.00 0.00 O ATOM 101 CB VAL A 7 15.270 -2.981 4.620 1.00 0.00 C ATOM 102 CG1 VAL A 7 15.609 -4.455 4.458 1.00 0.00 C ATOM 103 CG2 VAL A 7 14.948 -2.656 6.071 1.00 0.00 C ATOM 0 H VAL A 7 16.392 -3.011 2.226 1.00 0.00 H new ATOM 0 HA VAL A 7 16.256 -1.072 4.429 1.00 0.00 H new ATOM 0 HB VAL A 7 14.386 -2.768 4.019 1.00 0.00 H new ATOM 0 HG11 VAL A 7 14.779 -5.061 4.821 1.00 0.00 H new ATOM 0 HG12 VAL A 7 15.785 -4.674 3.405 1.00 0.00 H new ATOM 0 HG13 VAL A 7 16.506 -4.687 5.032 1.00 0.00 H new ATOM 0 HG21 VAL A 7 14.127 -3.287 6.412 1.00 0.00 H new ATOM 0 HG22 VAL A 7 15.827 -2.839 6.689 1.00 0.00 H new ATOM 0 HG23 VAL A 7 14.658 -1.608 6.154 1.00 0.00 H new ATOM 113 N LYS A 8 18.215 -1.901 5.740 1.00 0.00 N ATOM 114 CA LYS A 8 19.455 -2.275 6.410 1.00 0.00 C ATOM 115 C LYS A 8 19.360 -2.023 7.911 1.00 0.00 C ATOM 116 O LYS A 8 20.014 -1.126 8.442 1.00 0.00 O ATOM 117 CB LYS A 8 20.631 -1.490 5.824 1.00 0.00 C ATOM 118 CG LYS A 8 20.293 -0.047 5.489 1.00 0.00 C ATOM 119 CD LYS A 8 21.544 0.765 5.196 1.00 0.00 C ATOM 120 CE LYS A 8 21.212 2.053 4.459 1.00 0.00 C ATOM 121 NZ LYS A 8 22.338 2.504 3.595 1.00 0.00 N ATOM 0 H LYS A 8 17.764 -1.070 6.122 1.00 0.00 H new ATOM 0 HA LYS A 8 19.619 -3.340 6.248 1.00 0.00 H new ATOM 0 HB2 LYS A 8 21.457 -1.505 6.535 1.00 0.00 H new ATOM 0 HB3 LYS A 8 20.978 -1.992 4.921 1.00 0.00 H new ATOM 0 HG2 LYS A 8 19.629 -0.019 4.625 1.00 0.00 H new ATOM 0 HG3 LYS A 8 19.752 0.404 6.321 1.00 0.00 H new ATOM 0 HD2 LYS A 8 22.054 1.000 6.130 1.00 0.00 H new ATOM 0 HD3 LYS A 8 22.234 0.170 4.598 1.00 0.00 H new ATOM 0 HE2 LYS A 8 20.323 1.902 3.847 1.00 0.00 H new ATOM 0 HE3 LYS A 8 20.973 2.834 5.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 22.072 3.385 3.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 23.180 2.672 4.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 22.549 1.770 2.889 1.00 0.00 H new ATOM 135 N TRP A 9 18.544 -2.822 8.589 1.00 0.00 N ATOM 136 CA TRP A 9 18.365 -2.687 10.030 1.00 0.00 C ATOM 137 C TRP A 9 19.299 -3.626 10.786 1.00 0.00 C ATOM 138 O TRP A 9 19.044 -4.827 10.878 1.00 0.00 O ATOM 139 CB TRP A 9 16.913 -2.974 10.414 1.00 0.00 C ATOM 140 CG TRP A 9 16.664 -2.908 11.890 1.00 0.00 C ATOM 141 CD1 TRP A 9 16.101 -3.877 12.671 1.00 0.00 C ATOM 142 CD2 TRP A 9 16.968 -1.814 12.763 1.00 0.00 C ATOM 143 NE1 TRP A 9 16.037 -3.452 13.976 1.00 0.00 N ATOM 144 CE2 TRP A 9 16.563 -2.190 14.059 1.00 0.00 C ATOM 145 CE3 TRP A 9 17.545 -0.555 12.576 1.00 0.00 C ATOM 146 CZ2 TRP A 9 16.717 -1.350 15.159 1.00 0.00 C ATOM 147 CZ3 TRP A 9 17.696 0.277 13.668 1.00 0.00 C ATOM 148 CH2 TRP A 9 17.284 -0.123 14.947 1.00 0.00 C ATOM 0 H TRP A 9 17.996 -3.570 8.164 1.00 0.00 H new ATOM 0 HA TRP A 9 18.610 -1.661 10.306 1.00 0.00 H new ATOM 0 HB2 TRP A 9 16.263 -2.258 9.911 1.00 0.00 H new ATOM 0 HB3 TRP A 9 16.638 -3.964 10.050 1.00 0.00 H new ATOM 0 HD1 TRP A 9 15.757 -4.837 12.315 1.00 0.00 H new ATOM 0 HE1 TRP A 9 15.659 -3.989 14.756 1.00 0.00 H new ATOM 0 HE3 TRP A 9 17.867 -0.238 11.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 16.400 -1.656 16.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 18.139 1.253 13.534 1.00 0.00 H new ATOM 0 HH2 TRP A 9 17.417 0.550 15.781 1.00 0.00 H new ATOM 159 N GLY A 10 20.381 -3.072 11.324 1.00 0.00 N ATOM 160 CA GLY A 10 21.335 -3.877 12.065 1.00 0.00 C ATOM 161 C GLY A 10 21.965 -4.960 11.212 1.00 0.00 C ATOM 162 O GLY A 10 22.664 -4.669 10.242 1.00 0.00 O ATOM 0 H GLY A 10 20.614 -2.081 11.260 1.00 0.00 H new ATOM 0 HA2 GLY A 10 22.118 -3.232 12.464 1.00 0.00 H new ATOM 0 HA3 GLY A 10 20.834 -4.336 12.918 1.00 0.00 H new ATOM 166 N GLY A 11 21.718 -6.215 11.575 1.00 0.00 N ATOM 167 CA GLY A 11 22.275 -7.327 10.827 1.00 0.00 C ATOM 168 C GLY A 11 21.340 -7.822 9.741 1.00 0.00 C ATOM 169 O GLY A 11 21.613 -8.831 9.092 1.00 0.00 O ATOM 0 H GLY A 11 21.142 -6.481 12.374 1.00 0.00 H new ATOM 0 HA2 GLY A 11 23.220 -7.021 10.377 1.00 0.00 H new ATOM 0 HA3 GLY A 11 22.498 -8.146 11.511 1.00 0.00 H new ATOM 173 N GLN A 12 20.234 -7.111 9.546 1.00 0.00 N ATOM 174 CA GLN A 12 19.255 -7.486 8.533 1.00 0.00 C ATOM 175 C GLN A 12 19.289 -6.515 7.357 1.00 0.00 C ATOM 176 O GLN A 12 18.596 -5.498 7.360 1.00 0.00 O ATOM 177 CB GLN A 12 17.851 -7.522 9.139 1.00 0.00 C ATOM 178 CG GLN A 12 17.780 -8.261 10.466 1.00 0.00 C ATOM 179 CD GLN A 12 16.428 -8.126 11.137 1.00 0.00 C ATOM 180 OE1 GLN A 12 15.422 -8.636 10.642 1.00 0.00 O ATOM 181 NE2 GLN A 12 16.396 -7.437 12.272 1.00 0.00 N ATOM 0 H GLN A 12 19.994 -6.273 10.076 1.00 0.00 H new ATOM 0 HA GLN A 12 19.511 -8.480 8.167 1.00 0.00 H new ATOM 0 HB2 GLN A 12 17.500 -6.500 9.282 1.00 0.00 H new ATOM 0 HB3 GLN A 12 17.171 -7.996 8.432 1.00 0.00 H new ATOM 0 HG2 GLN A 12 17.996 -9.317 10.302 1.00 0.00 H new ATOM 0 HG3 GLN A 12 18.552 -7.878 11.133 1.00 0.00 H new ATOM 0 HE21 GLN A 12 17.254 -7.031 12.647 1.00 0.00 H new ATOM 0 HE22 GLN A 12 15.514 -7.314 12.769 1.00 0.00 H new ATOM 190 N GLU A 13 20.100 -6.836 6.354 1.00 0.00 N ATOM 191 CA GLU A 13 20.225 -5.990 5.173 1.00 0.00 C ATOM 192 C GLU A 13 19.736 -6.722 3.926 1.00 0.00 C ATOM 193 O GLU A 13 20.343 -7.699 3.488 1.00 0.00 O ATOM 194 CB GLU A 13 21.678 -5.552 4.983 1.00 0.00 C ATOM 195 CG GLU A 13 21.858 -4.486 3.915 1.00 0.00 C ATOM 196 CD GLU A 13 22.924 -3.470 4.278 1.00 0.00 C ATOM 197 OE1 GLU A 13 23.715 -3.747 5.204 1.00 0.00 O ATOM 198 OE2 GLU A 13 22.967 -2.399 3.637 1.00 0.00 O ATOM 0 H GLU A 13 20.680 -7.675 6.336 1.00 0.00 H new ATOM 0 HA GLU A 13 19.604 -5.107 5.323 1.00 0.00 H new ATOM 0 HB2 GLU A 13 22.061 -5.173 5.931 1.00 0.00 H new ATOM 0 HB3 GLU A 13 22.280 -6.422 4.721 1.00 0.00 H new ATOM 0 HG2 GLU A 13 22.123 -4.963 2.972 1.00 0.00 H new ATOM 0 HG3 GLU A 13 20.910 -3.972 3.757 1.00 0.00 H new ATOM 205 N TYR A 14 18.634 -6.242 3.359 1.00 0.00 N ATOM 206 CA TYR A 14 18.061 -6.851 2.165 1.00 0.00 C ATOM 207 C TYR A 14 17.565 -5.784 1.194 1.00 0.00 C ATOM 208 O TYR A 14 17.163 -4.695 1.603 1.00 0.00 O ATOM 209 CB TYR A 14 16.912 -7.786 2.545 1.00 0.00 C ATOM 210 CG TYR A 14 15.967 -8.079 1.402 1.00 0.00 C ATOM 211 CD1 TYR A 14 16.275 -9.043 0.450 1.00 0.00 C ATOM 212 CD2 TYR A 14 14.766 -7.392 1.273 1.00 0.00 C ATOM 213 CE1 TYR A 14 15.415 -9.314 -0.597 1.00 0.00 C ATOM 214 CE2 TYR A 14 13.899 -7.657 0.231 1.00 0.00 C ATOM 215 CZ TYR A 14 14.228 -8.619 -0.702 1.00 0.00 C ATOM 216 OH TYR A 14 13.368 -8.885 -1.743 1.00 0.00 O ATOM 0 H TYR A 14 18.120 -5.433 3.708 1.00 0.00 H new ATOM 0 HA TYR A 14 18.842 -7.429 1.672 1.00 0.00 H new ATOM 0 HB2 TYR A 14 17.325 -8.725 2.913 1.00 0.00 H new ATOM 0 HB3 TYR A 14 16.349 -7.342 3.366 1.00 0.00 H new ATOM 0 HD1 TYR A 14 17.203 -9.590 0.530 1.00 0.00 H new ATOM 0 HD2 TYR A 14 14.506 -6.637 2.001 1.00 0.00 H new ATOM 0 HE1 TYR A 14 15.671 -10.066 -1.329 1.00 0.00 H new ATOM 0 HE2 TYR A 14 12.969 -7.114 0.147 1.00 0.00 H new ATOM 0 HH TYR A 14 13.460 -9.823 -2.012 1.00 0.00 H new ATOM 226 N SER A 15 17.595 -6.106 -0.095 1.00 0.00 N ATOM 227 CA SER A 15 17.151 -5.176 -1.126 1.00 0.00 C ATOM 228 C SER A 15 15.659 -5.338 -1.399 1.00 0.00 C ATOM 229 O SER A 15 15.238 -6.277 -2.075 1.00 0.00 O ATOM 230 CB SER A 15 17.944 -5.395 -2.417 1.00 0.00 C ATOM 231 OG SER A 15 17.690 -6.680 -2.958 1.00 0.00 O ATOM 0 H SER A 15 17.922 -7.004 -0.450 1.00 0.00 H new ATOM 0 HA SER A 15 17.329 -4.163 -0.766 1.00 0.00 H new ATOM 0 HB2 SER A 15 17.677 -4.630 -3.146 1.00 0.00 H new ATOM 0 HB3 SER A 15 19.010 -5.285 -2.216 1.00 0.00 H new ATOM 0 HG SER A 15 16.733 -6.879 -2.892 1.00 0.00 H new ATOM 237 N VAL A 16 14.863 -4.416 -0.867 1.00 0.00 N ATOM 238 CA VAL A 16 13.417 -4.455 -1.052 1.00 0.00 C ATOM 239 C VAL A 16 13.006 -3.713 -2.319 1.00 0.00 C ATOM 240 O VAL A 16 12.113 -2.865 -2.294 1.00 0.00 O ATOM 241 CB VAL A 16 12.680 -3.840 0.152 1.00 0.00 C ATOM 242 CG1 VAL A 16 11.184 -4.090 0.047 1.00 0.00 C ATOM 243 CG2 VAL A 16 13.232 -4.397 1.455 1.00 0.00 C ATOM 0 H VAL A 16 15.195 -3.633 -0.304 1.00 0.00 H new ATOM 0 HA VAL A 16 13.137 -5.505 -1.141 1.00 0.00 H new ATOM 0 HB VAL A 16 12.845 -2.763 0.145 1.00 0.00 H new ATOM 0 HG11 VAL A 16 10.680 -3.648 0.907 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.803 -3.638 -0.869 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.995 -5.163 0.028 1.00 0.00 H new ATOM 0 HG21 VAL A 16 12.700 -3.952 2.296 1.00 0.00 H new ATOM 0 HG22 VAL A 16 13.099 -5.479 1.474 1.00 0.00 H new ATOM 0 HG23 VAL A 16 14.293 -4.160 1.531 1.00 0.00 H new ATOM 253 N THR A 17 13.663 -4.037 -3.428 1.00 0.00 N ATOM 254 CA THR A 17 13.366 -3.401 -4.706 1.00 0.00 C ATOM 255 C THR A 17 12.097 -3.976 -5.325 1.00 0.00 C ATOM 256 O THR A 17 11.606 -5.023 -4.901 1.00 0.00 O ATOM 257 CB THR A 17 14.530 -3.570 -5.700 1.00 0.00 C ATOM 258 OG1 THR A 17 14.222 -2.908 -6.932 1.00 0.00 O ATOM 259 CG2 THR A 17 14.808 -5.042 -5.965 1.00 0.00 C ATOM 0 H THR A 17 14.405 -4.736 -3.467 1.00 0.00 H new ATOM 0 HA THR A 17 13.220 -2.340 -4.505 1.00 0.00 H new ATOM 0 HB THR A 17 15.421 -3.123 -5.260 1.00 0.00 H new ATOM 0 HG1 THR A 17 14.968 -3.019 -7.558 1.00 0.00 H new ATOM 0 HG21 THR A 17 15.634 -5.135 -6.670 1.00 0.00 H new ATOM 0 HG22 THR A 17 15.071 -5.537 -5.030 1.00 0.00 H new ATOM 0 HG23 THR A 17 13.918 -5.510 -6.385 1.00 0.00 H new ATOM 267 N THR A 18 11.569 -3.285 -6.330 1.00 0.00 N ATOM 268 CA THR A 18 10.357 -3.726 -7.007 1.00 0.00 C ATOM 269 C THR A 18 10.659 -4.833 -8.011 1.00 0.00 C ATOM 270 O THR A 18 9.748 -5.425 -8.591 1.00 0.00 O ATOM 271 CB THR A 18 9.666 -2.560 -7.739 1.00 0.00 C ATOM 272 OG1 THR A 18 8.429 -3.003 -8.309 1.00 0.00 O ATOM 273 CG2 THR A 18 10.563 -2.000 -8.833 1.00 0.00 C ATOM 0 H THR A 18 11.963 -2.417 -6.693 1.00 0.00 H new ATOM 0 HA THR A 18 9.688 -4.110 -6.237 1.00 0.00 H new ATOM 0 HB THR A 18 9.469 -1.771 -7.014 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.470 -3.969 -8.469 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.054 -1.178 -9.336 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.491 -1.636 -8.392 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.788 -2.784 -9.556 1.00 0.00 H new ATOM 281 N LEU A 19 11.943 -5.109 -8.211 1.00 0.00 N ATOM 282 CA LEU A 19 12.365 -6.147 -9.144 1.00 0.00 C ATOM 283 C LEU A 19 12.029 -5.758 -10.580 1.00 0.00 C ATOM 284 O LEU A 19 11.559 -4.650 -10.840 1.00 0.00 O ATOM 285 CB LEU A 19 11.697 -7.478 -8.795 1.00 0.00 C ATOM 286 CG LEU A 19 11.551 -7.785 -7.304 1.00 0.00 C ATOM 287 CD1 LEU A 19 10.820 -9.103 -7.100 1.00 0.00 C ATOM 288 CD2 LEU A 19 12.915 -7.819 -6.631 1.00 0.00 C ATOM 0 H LEU A 19 12.709 -4.629 -7.740 1.00 0.00 H new ATOM 0 HA LEU A 19 13.446 -6.258 -9.060 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.706 -7.494 -9.248 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.271 -8.282 -9.257 1.00 0.00 H new ATOM 0 HG LEU A 19 10.961 -6.992 -6.845 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.725 -9.305 -6.033 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.828 -9.042 -7.547 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.382 -9.908 -7.573 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.792 -8.039 -5.570 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.529 -8.592 -7.093 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.402 -6.851 -6.747 1.00 0.00 H new ATOM 300 N SER A 20 12.272 -6.677 -11.510 1.00 0.00 N ATOM 301 CA SER A 20 11.997 -6.429 -12.920 1.00 0.00 C ATOM 302 C SER A 20 10.541 -6.742 -13.253 1.00 0.00 C ATOM 303 O SER A 20 9.818 -7.317 -12.440 1.00 0.00 O ATOM 304 CB SER A 20 12.925 -7.271 -13.798 1.00 0.00 C ATOM 305 OG SER A 20 13.004 -8.604 -13.325 1.00 0.00 O ATOM 0 H SER A 20 12.659 -7.600 -11.312 1.00 0.00 H new ATOM 0 HA SER A 20 12.178 -5.373 -13.120 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.561 -7.267 -14.825 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.920 -6.827 -13.811 1.00 0.00 H new ATOM 0 HG SER A 20 13.602 -9.122 -13.904 1.00 0.00 H new ATOM 311 N GLU A 21 10.119 -6.359 -14.454 1.00 0.00 N ATOM 312 CA GLU A 21 8.750 -6.597 -14.894 1.00 0.00 C ATOM 313 C GLU A 21 8.444 -8.092 -14.933 1.00 0.00 C ATOM 314 O GLU A 21 7.351 -8.522 -14.564 1.00 0.00 O ATOM 315 CB GLU A 21 8.520 -5.982 -16.276 1.00 0.00 C ATOM 316 CG GLU A 21 9.461 -6.515 -17.344 1.00 0.00 C ATOM 317 CD GLU A 21 9.611 -5.565 -18.516 1.00 0.00 C ATOM 318 OE1 GLU A 21 9.727 -4.345 -18.280 1.00 0.00 O ATOM 319 OE2 GLU A 21 9.613 -6.043 -19.670 1.00 0.00 O ATOM 0 H GLU A 21 10.706 -5.883 -15.139 1.00 0.00 H new ATOM 0 HA GLU A 21 8.078 -6.124 -14.178 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.491 -6.172 -16.582 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.637 -4.901 -16.207 1.00 0.00 H new ATOM 0 HG2 GLU A 21 10.440 -6.698 -16.902 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.090 -7.474 -17.704 1.00 0.00 H new ATOM 326 N ASP A 22 9.416 -8.877 -15.383 1.00 0.00 N ATOM 327 CA ASP A 22 9.252 -10.323 -15.471 1.00 0.00 C ATOM 328 C ASP A 22 8.830 -10.905 -14.125 1.00 0.00 C ATOM 329 O ASP A 22 8.174 -11.945 -14.066 1.00 0.00 O ATOM 330 CB ASP A 22 10.553 -10.978 -15.939 1.00 0.00 C ATOM 331 CG ASP A 22 10.847 -10.702 -17.400 1.00 0.00 C ATOM 332 OD1 ASP A 22 10.050 -11.135 -18.258 1.00 0.00 O ATOM 333 OD2 ASP A 22 11.876 -10.053 -17.686 1.00 0.00 O ATOM 0 H ASP A 22 10.326 -8.536 -15.693 1.00 0.00 H new ATOM 0 HA ASP A 22 8.468 -10.531 -16.199 1.00 0.00 H new ATOM 0 HB2 ASP A 22 11.380 -10.613 -15.330 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.492 -12.055 -15.781 1.00 0.00 H new ATOM 338 N ASP A 23 9.213 -10.228 -13.048 1.00 0.00 N ATOM 339 CA ASP A 23 8.875 -10.678 -11.703 1.00 0.00 C ATOM 340 C ASP A 23 7.742 -9.840 -11.119 1.00 0.00 C ATOM 341 O ASP A 23 7.106 -9.056 -11.825 1.00 0.00 O ATOM 342 CB ASP A 23 10.102 -10.603 -10.793 1.00 0.00 C ATOM 343 CG ASP A 23 11.273 -11.400 -11.334 1.00 0.00 C ATOM 344 OD1 ASP A 23 11.045 -12.515 -11.846 1.00 0.00 O ATOM 345 OD2 ASP A 23 12.418 -10.908 -11.245 1.00 0.00 O ATOM 0 H ASP A 23 9.757 -9.366 -13.080 1.00 0.00 H new ATOM 0 HA ASP A 23 8.542 -11.714 -11.766 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.399 -9.561 -10.674 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.840 -10.975 -9.803 1.00 0.00 H new ATOM 350 N THR A 24 7.493 -10.011 -9.824 1.00 0.00 N ATOM 351 CA THR A 24 6.435 -9.272 -9.145 1.00 0.00 C ATOM 352 C THR A 24 6.754 -9.091 -7.666 1.00 0.00 C ATOM 353 O THR A 24 7.623 -9.770 -7.120 1.00 0.00 O ATOM 354 CB THR A 24 5.076 -9.984 -9.283 1.00 0.00 C ATOM 355 OG1 THR A 24 5.277 -11.378 -9.539 1.00 0.00 O ATOM 356 CG2 THR A 24 4.255 -9.369 -10.406 1.00 0.00 C ATOM 0 H THR A 24 8.009 -10.655 -9.225 1.00 0.00 H new ATOM 0 HA THR A 24 6.374 -8.294 -9.623 1.00 0.00 H new ATOM 0 HB THR A 24 4.530 -9.863 -8.347 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.532 -11.723 -10.074 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.300 -9.888 -10.485 1.00 0.00 H new ATOM 0 HG22 THR A 24 4.079 -8.315 -10.193 1.00 0.00 H new ATOM 0 HG23 THR A 24 4.797 -9.463 -11.347 1.00 0.00 H new ATOM 364 N VAL A 25 6.044 -8.170 -7.021 1.00 0.00 N ATOM 365 CA VAL A 25 6.250 -7.901 -5.603 1.00 0.00 C ATOM 366 C VAL A 25 6.052 -9.162 -4.769 1.00 0.00 C ATOM 367 O VAL A 25 6.646 -9.312 -3.700 1.00 0.00 O ATOM 368 CB VAL A 25 5.292 -6.807 -5.094 1.00 0.00 C ATOM 369 CG1 VAL A 25 5.306 -6.750 -3.574 1.00 0.00 C ATOM 370 CG2 VAL A 25 5.661 -5.457 -5.690 1.00 0.00 C ATOM 0 H VAL A 25 5.321 -7.598 -7.458 1.00 0.00 H new ATOM 0 HA VAL A 25 7.278 -7.554 -5.493 1.00 0.00 H new ATOM 0 HB VAL A 25 4.280 -7.056 -5.415 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.624 -5.972 -3.233 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.990 -7.712 -3.171 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.315 -6.525 -3.228 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.974 -4.696 -5.320 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.680 -5.198 -5.401 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.594 -5.508 -6.777 1.00 0.00 H new ATOM 380 N LEU A 26 5.215 -10.066 -5.265 1.00 0.00 N ATOM 381 CA LEU A 26 4.939 -11.317 -4.567 1.00 0.00 C ATOM 382 C LEU A 26 6.234 -12.042 -4.215 1.00 0.00 C ATOM 383 O LEU A 26 6.331 -12.690 -3.172 1.00 0.00 O ATOM 384 CB LEU A 26 4.053 -12.220 -5.427 1.00 0.00 C ATOM 385 CG LEU A 26 4.754 -12.955 -6.571 1.00 0.00 C ATOM 386 CD1 LEU A 26 5.268 -14.306 -6.100 1.00 0.00 C ATOM 387 CD2 LEU A 26 3.812 -13.122 -7.754 1.00 0.00 C ATOM 0 H LEU A 26 4.716 -9.956 -6.148 1.00 0.00 H new ATOM 0 HA LEU A 26 4.415 -11.079 -3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.585 -12.961 -4.778 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.251 -11.614 -5.848 1.00 0.00 H new ATOM 0 HG LEU A 26 5.607 -12.358 -6.894 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.764 -14.815 -6.927 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.977 -14.161 -5.285 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.432 -14.912 -5.750 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.328 -13.647 -8.558 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.939 -13.698 -7.446 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.493 -12.141 -8.107 1.00 0.00 H new ATOM 399 N ASP A 27 7.227 -11.927 -5.089 1.00 0.00 N ATOM 400 CA ASP A 27 8.518 -12.568 -4.870 1.00 0.00 C ATOM 401 C ASP A 27 9.227 -11.963 -3.662 1.00 0.00 C ATOM 402 O ASP A 27 9.449 -12.639 -2.656 1.00 0.00 O ATOM 403 CB ASP A 27 9.397 -12.432 -6.114 1.00 0.00 C ATOM 404 CG ASP A 27 10.310 -13.627 -6.311 1.00 0.00 C ATOM 405 OD1 ASP A 27 9.854 -14.766 -6.080 1.00 0.00 O ATOM 406 OD2 ASP A 27 11.481 -13.422 -6.694 1.00 0.00 O ATOM 0 H ASP A 27 7.163 -11.395 -5.957 1.00 0.00 H new ATOM 0 HA ASP A 27 8.342 -13.626 -4.673 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.763 -12.314 -6.993 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.000 -11.527 -6.032 1.00 0.00 H new ATOM 411 N LEU A 28 9.580 -10.687 -3.768 1.00 0.00 N ATOM 412 CA LEU A 28 10.265 -9.990 -2.685 1.00 0.00 C ATOM 413 C LEU A 28 9.500 -10.137 -1.373 1.00 0.00 C ATOM 414 O LEU A 28 10.092 -10.140 -0.294 1.00 0.00 O ATOM 415 CB LEU A 28 10.431 -8.509 -3.029 1.00 0.00 C ATOM 416 CG LEU A 28 9.254 -7.601 -2.673 1.00 0.00 C ATOM 417 CD1 LEU A 28 9.411 -7.051 -1.264 1.00 0.00 C ATOM 418 CD2 LEU A 28 9.131 -6.467 -3.680 1.00 0.00 C ATOM 0 H LEU A 28 9.403 -10.114 -4.593 1.00 0.00 H new ATOM 0 HA LEU A 28 11.250 -10.440 -2.562 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.319 -8.136 -2.519 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.619 -8.424 -4.099 1.00 0.00 H new ATOM 0 HG LEU A 28 8.340 -8.193 -2.710 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.564 -6.407 -1.028 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.448 -7.877 -0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.334 -6.475 -1.199 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.288 -5.831 -3.411 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.047 -5.876 -3.676 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.970 -6.880 -4.676 1.00 0.00 H new ATOM 430 N LYS A 29 8.181 -10.260 -1.475 1.00 0.00 N ATOM 431 CA LYS A 29 7.334 -10.411 -0.298 1.00 0.00 C ATOM 432 C LYS A 29 7.725 -11.651 0.499 1.00 0.00 C ATOM 433 O LYS A 29 8.054 -11.562 1.681 1.00 0.00 O ATOM 434 CB LYS A 29 5.863 -10.499 -0.711 1.00 0.00 C ATOM 435 CG LYS A 29 4.897 -10.404 0.457 1.00 0.00 C ATOM 436 CD LYS A 29 3.479 -10.126 -0.014 1.00 0.00 C ATOM 437 CE LYS A 29 2.718 -11.415 -0.284 1.00 0.00 C ATOM 438 NZ LYS A 29 1.247 -11.232 -0.139 1.00 0.00 N ATOM 0 H LYS A 29 7.675 -10.258 -2.361 1.00 0.00 H new ATOM 0 HA LYS A 29 7.475 -9.535 0.335 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.644 -9.699 -1.418 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.697 -11.441 -1.234 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.917 -11.335 1.024 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.219 -9.612 1.133 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.952 -9.542 0.741 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.508 -9.522 -0.921 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.943 -11.765 -1.291 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.057 -12.188 0.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.764 -12.133 -0.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.030 -10.922 0.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.918 -10.513 -0.814 1.00 0.00 H new ATOM 452 N GLN A 30 7.688 -12.806 -0.157 1.00 0.00 N ATOM 453 CA GLN A 30 8.039 -14.064 0.491 1.00 0.00 C ATOM 454 C GLN A 30 9.458 -14.012 1.048 1.00 0.00 C ATOM 455 O GLN A 30 9.765 -14.650 2.055 1.00 0.00 O ATOM 456 CB GLN A 30 7.909 -15.225 -0.497 1.00 0.00 C ATOM 457 CG GLN A 30 6.504 -15.398 -1.051 1.00 0.00 C ATOM 458 CD GLN A 30 6.260 -16.790 -1.599 1.00 0.00 C ATOM 459 OE1 GLN A 30 5.930 -17.714 -0.855 1.00 0.00 O ATOM 460 NE2 GLN A 30 6.422 -16.947 -2.908 1.00 0.00 N ATOM 0 H GLN A 30 7.419 -12.897 -1.137 1.00 0.00 H new ATOM 0 HA GLN A 30 7.348 -14.222 1.319 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.600 -15.066 -1.325 1.00 0.00 H new ATOM 0 HB3 GLN A 30 8.212 -16.148 -0.002 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.779 -15.189 -0.264 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.336 -14.666 -1.841 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.696 -16.153 -3.487 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.272 -17.861 -3.334 1.00 0.00 H new ATOM 469 N PHE A 31 10.320 -13.247 0.386 1.00 0.00 N ATOM 470 CA PHE A 31 11.708 -13.112 0.814 1.00 0.00 C ATOM 471 C PHE A 31 11.793 -12.431 2.177 1.00 0.00 C ATOM 472 O PHE A 31 12.604 -12.809 3.023 1.00 0.00 O ATOM 473 CB PHE A 31 12.507 -12.314 -0.218 1.00 0.00 C ATOM 474 CG PHE A 31 13.214 -13.176 -1.225 1.00 0.00 C ATOM 475 CD1 PHE A 31 12.526 -14.155 -1.923 1.00 0.00 C ATOM 476 CD2 PHE A 31 14.566 -13.006 -1.475 1.00 0.00 C ATOM 477 CE1 PHE A 31 13.174 -14.950 -2.850 1.00 0.00 C ATOM 478 CE2 PHE A 31 15.220 -13.797 -2.401 1.00 0.00 C ATOM 479 CZ PHE A 31 14.522 -14.770 -3.090 1.00 0.00 C ATOM 0 H PHE A 31 10.082 -12.711 -0.449 1.00 0.00 H new ATOM 0 HA PHE A 31 12.134 -14.111 0.899 1.00 0.00 H new ATOM 0 HB2 PHE A 31 11.834 -11.635 -0.741 1.00 0.00 H new ATOM 0 HB3 PHE A 31 13.241 -11.698 0.300 1.00 0.00 H new ATOM 0 HD1 PHE A 31 11.471 -14.299 -1.741 1.00 0.00 H new ATOM 0 HD2 PHE A 31 15.116 -12.246 -0.940 1.00 0.00 H new ATOM 0 HE1 PHE A 31 12.627 -15.711 -3.386 1.00 0.00 H new ATOM 0 HE2 PHE A 31 16.275 -13.655 -2.585 1.00 0.00 H new ATOM 0 HZ PHE A 31 15.030 -15.389 -3.815 1.00 0.00 H new ATOM 489 N LEU A 32 10.950 -11.425 2.382 1.00 0.00 N ATOM 490 CA LEU A 32 10.929 -10.689 3.641 1.00 0.00 C ATOM 491 C LEU A 32 10.455 -11.580 4.785 1.00 0.00 C ATOM 492 O LEU A 32 10.924 -11.460 5.916 1.00 0.00 O ATOM 493 CB LEU A 32 10.021 -9.464 3.524 1.00 0.00 C ATOM 494 CG LEU A 32 10.469 -8.389 2.534 1.00 0.00 C ATOM 495 CD1 LEU A 32 9.568 -7.167 2.628 1.00 0.00 C ATOM 496 CD2 LEU A 32 11.920 -8.004 2.784 1.00 0.00 C ATOM 0 H LEU A 32 10.272 -11.100 1.693 1.00 0.00 H new ATOM 0 HA LEU A 32 11.945 -10.360 3.858 1.00 0.00 H new ATOM 0 HB2 LEU A 32 9.025 -9.801 3.237 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.932 -9.007 4.510 1.00 0.00 H new ATOM 0 HG LEU A 32 10.391 -8.796 1.526 1.00 0.00 H new ATOM 0 HD11 LEU A 32 9.903 -6.413 1.916 1.00 0.00 H new ATOM 0 HD12 LEU A 32 8.542 -7.453 2.398 1.00 0.00 H new ATOM 0 HD13 LEU A 32 9.613 -6.758 3.637 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.221 -7.238 2.070 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.024 -7.617 3.797 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.555 -8.882 2.664 1.00 0.00 H new ATOM 508 N LYS A 33 9.523 -12.477 4.481 1.00 0.00 N ATOM 509 CA LYS A 33 8.986 -13.393 5.481 1.00 0.00 C ATOM 510 C LYS A 33 10.034 -14.421 5.895 1.00 0.00 C ATOM 511 O LYS A 33 10.035 -14.900 7.030 1.00 0.00 O ATOM 512 CB LYS A 33 7.744 -14.104 4.938 1.00 0.00 C ATOM 513 CG LYS A 33 7.509 -15.472 5.554 1.00 0.00 C ATOM 514 CD LYS A 33 8.191 -16.569 4.755 1.00 0.00 C ATOM 515 CE LYS A 33 8.764 -17.646 5.663 1.00 0.00 C ATOM 516 NZ LYS A 33 7.733 -18.204 6.581 1.00 0.00 N ATOM 0 H LYS A 33 9.123 -12.589 3.549 1.00 0.00 H new ATOM 0 HA LYS A 33 8.708 -12.810 6.359 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.870 -13.479 5.118 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.841 -14.213 3.858 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.884 -15.480 6.578 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.438 -15.670 5.605 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.476 -17.016 4.065 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.990 -16.138 4.151 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.182 -18.449 5.055 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.584 -17.229 6.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.114 -19.044 7.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.475 -17.488 7.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.889 -18.471 6.034 1.00 0.00 H new ATOM 530 N THR A 34 10.926 -14.757 4.968 1.00 0.00 N ATOM 531 CA THR A 34 11.979 -15.728 5.237 1.00 0.00 C ATOM 532 C THR A 34 13.227 -15.047 5.787 1.00 0.00 C ATOM 533 O THR A 34 14.008 -15.657 6.519 1.00 0.00 O ATOM 534 CB THR A 34 12.354 -16.515 3.967 1.00 0.00 C ATOM 535 OG1 THR A 34 12.432 -15.628 2.846 1.00 0.00 O ATOM 536 CG2 THR A 34 11.334 -17.608 3.686 1.00 0.00 C ATOM 0 H THR A 34 10.940 -14.371 4.024 1.00 0.00 H new ATOM 0 HA THR A 34 11.588 -16.421 5.983 1.00 0.00 H new ATOM 0 HB THR A 34 13.326 -16.981 4.129 1.00 0.00 H new ATOM 0 HG1 THR A 34 12.641 -14.723 3.159 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.620 -18.150 2.785 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.299 -18.298 4.529 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.351 -17.160 3.543 1.00 0.00 H new ATOM 544 N LEU A 35 13.409 -13.780 5.431 1.00 0.00 N ATOM 545 CA LEU A 35 14.564 -13.015 5.890 1.00 0.00 C ATOM 546 C LEU A 35 14.313 -12.431 7.277 1.00 0.00 C ATOM 547 O LEU A 35 15.156 -12.536 8.169 1.00 0.00 O ATOM 548 CB LEU A 35 14.883 -11.893 4.901 1.00 0.00 C ATOM 549 CG LEU A 35 15.950 -12.206 3.852 1.00 0.00 C ATOM 550 CD1 LEU A 35 15.361 -12.130 2.452 1.00 0.00 C ATOM 551 CD2 LEU A 35 17.129 -11.254 3.989 1.00 0.00 C ATOM 0 H LEU A 35 12.772 -13.261 4.826 1.00 0.00 H new ATOM 0 HA LEU A 35 15.417 -13.691 5.949 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.963 -11.619 4.384 1.00 0.00 H new ATOM 0 HB3 LEU A 35 15.204 -11.018 5.466 1.00 0.00 H new ATOM 0 HG LEU A 35 16.308 -13.222 4.019 1.00 0.00 H new ATOM 0 HD11 LEU A 35 16.135 -12.356 1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 35 14.551 -12.853 2.358 1.00 0.00 H new ATOM 0 HD13 LEU A 35 14.974 -11.127 2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 35 17.878 -11.492 3.234 1.00 0.00 H new ATOM 0 HD22 LEU A 35 16.787 -10.229 3.850 1.00 0.00 H new ATOM 0 HD23 LEU A 35 17.568 -11.359 4.981 1.00 0.00 H new ATOM 563 N THR A 36 13.148 -11.816 7.452 1.00 0.00 N ATOM 564 CA THR A 36 12.785 -11.216 8.730 1.00 0.00 C ATOM 565 C THR A 36 11.850 -12.125 9.519 1.00 0.00 C ATOM 566 O THR A 36 11.996 -12.282 10.730 1.00 0.00 O ATOM 567 CB THR A 36 12.108 -9.846 8.535 1.00 0.00 C ATOM 568 OG1 THR A 36 10.702 -10.020 8.325 1.00 0.00 O ATOM 569 CG2 THR A 36 12.715 -9.105 7.353 1.00 0.00 C ATOM 0 H THR A 36 12.439 -11.720 6.725 1.00 0.00 H new ATOM 0 HA THR A 36 13.711 -11.079 9.289 1.00 0.00 H new ATOM 0 HB THR A 36 12.270 -9.254 9.436 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.555 -10.521 7.496 1.00 0.00 H new ATOM 0 HG21 THR A 36 12.221 -8.141 7.235 1.00 0.00 H new ATOM 0 HG22 THR A 36 13.779 -8.948 7.529 1.00 0.00 H new ATOM 0 HG23 THR A 36 12.581 -9.695 6.446 1.00 0.00 H new ATOM 577 N GLY A 37 10.887 -12.723 8.823 1.00 0.00 N ATOM 578 CA GLY A 37 9.942 -13.610 9.475 1.00 0.00 C ATOM 579 C GLY A 37 9.334 -12.995 10.720 1.00 0.00 C ATOM 580 O GLY A 37 8.940 -13.707 11.644 1.00 0.00 O ATOM 0 H GLY A 37 10.745 -12.609 7.819 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.147 -13.867 8.775 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.445 -14.540 9.741 1.00 0.00 H new ATOM 584 N VAL A 38 9.259 -11.668 10.747 1.00 0.00 N ATOM 585 CA VAL A 38 8.696 -10.957 11.888 1.00 0.00 C ATOM 586 C VAL A 38 7.680 -9.913 11.438 1.00 0.00 C ATOM 587 O VAL A 38 7.136 -9.167 12.254 1.00 0.00 O ATOM 588 CB VAL A 38 9.794 -10.265 12.716 1.00 0.00 C ATOM 589 CG1 VAL A 38 10.325 -9.041 11.984 1.00 0.00 C ATOM 590 CG2 VAL A 38 9.265 -9.885 14.091 1.00 0.00 C ATOM 0 H VAL A 38 9.581 -11.064 9.991 1.00 0.00 H new ATOM 0 HA VAL A 38 8.198 -11.701 12.510 1.00 0.00 H new ATOM 0 HB VAL A 38 10.619 -10.965 12.849 1.00 0.00 H new ATOM 0 HG11 VAL A 38 11.100 -8.565 12.585 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.745 -9.344 11.025 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.511 -8.335 11.817 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.055 -9.397 14.663 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.422 -9.203 13.981 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.939 -10.783 14.616 1.00 0.00 H new ATOM 600 N LEU A 39 7.428 -9.864 10.135 1.00 0.00 N ATOM 601 CA LEU A 39 6.476 -8.911 9.574 1.00 0.00 C ATOM 602 C LEU A 39 5.066 -9.186 10.085 1.00 0.00 C ATOM 603 O LEU A 39 4.371 -8.294 10.573 1.00 0.00 O ATOM 604 CB LEU A 39 6.499 -8.976 8.046 1.00 0.00 C ATOM 605 CG LEU A 39 7.802 -8.539 7.375 1.00 0.00 C ATOM 606 CD1 LEU A 39 7.596 -8.353 5.880 1.00 0.00 C ATOM 607 CD2 LEU A 39 8.324 -7.257 8.008 1.00 0.00 C ATOM 0 H LEU A 39 7.870 -10.473 9.446 1.00 0.00 H new ATOM 0 HA LEU A 39 6.770 -7.911 9.893 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.283 -10.000 7.743 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.690 -8.353 7.664 1.00 0.00 H new ATOM 0 HG LEU A 39 8.545 -9.322 7.523 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.534 -8.042 5.419 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.269 -9.294 5.438 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.837 -7.589 5.710 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.252 -6.961 7.518 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.583 -6.466 7.891 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.511 -7.425 9.069 1.00 0.00 H new ATOM 619 N PRO A 40 4.632 -10.450 9.974 1.00 0.00 N ATOM 620 CA PRO A 40 3.301 -10.873 10.422 1.00 0.00 C ATOM 621 C PRO A 40 3.169 -10.857 11.941 1.00 0.00 C ATOM 622 O PRO A 40 2.076 -11.033 12.479 1.00 0.00 O ATOM 623 CB PRO A 40 3.186 -12.303 9.890 1.00 0.00 C ATOM 624 CG PRO A 40 4.593 -12.776 9.766 1.00 0.00 C ATOM 625 CD PRO A 40 5.407 -11.565 9.404 1.00 0.00 C ATOM 0 HA PRO A 40 2.518 -10.206 10.062 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.615 -12.934 10.571 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.674 -12.327 8.928 1.00 0.00 H new ATOM 0 HG2 PRO A 40 4.941 -13.215 10.701 1.00 0.00 H new ATOM 0 HG3 PRO A 40 4.679 -13.547 9.001 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.410 -11.614 9.827 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.520 -11.465 8.325 1.00 0.00 H new ATOM 633 N GLU A 41 4.288 -10.645 12.626 1.00 0.00 N ATOM 634 CA GLU A 41 4.295 -10.608 14.084 1.00 0.00 C ATOM 635 C GLU A 41 4.476 -9.179 14.590 1.00 0.00 C ATOM 636 O GLU A 41 3.521 -8.541 15.033 1.00 0.00 O ATOM 637 CB GLU A 41 5.410 -11.500 14.634 1.00 0.00 C ATOM 638 CG GLU A 41 5.176 -12.982 14.395 1.00 0.00 C ATOM 639 CD GLU A 41 4.329 -13.621 15.478 1.00 0.00 C ATOM 640 OE1 GLU A 41 3.629 -12.880 16.199 1.00 0.00 O ATOM 641 OE2 GLU A 41 4.366 -14.863 15.604 1.00 0.00 O ATOM 0 H GLU A 41 5.201 -10.496 12.196 1.00 0.00 H new ATOM 0 HA GLU A 41 3.334 -10.982 14.436 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.355 -11.211 14.174 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.510 -11.324 15.705 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.688 -13.118 13.430 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.137 -13.494 14.341 1.00 0.00 H new ATOM 648 N ARG A 42 5.708 -8.685 14.521 1.00 0.00 N ATOM 649 CA ARG A 42 6.015 -7.333 14.974 1.00 0.00 C ATOM 650 C ARG A 42 6.959 -6.635 14.000 1.00 0.00 C ATOM 651 O ARG A 42 8.024 -7.158 13.672 1.00 0.00 O ATOM 652 CB ARG A 42 6.640 -7.370 16.370 1.00 0.00 C ATOM 653 CG ARG A 42 5.745 -8.006 17.421 1.00 0.00 C ATOM 654 CD ARG A 42 4.835 -6.977 18.074 1.00 0.00 C ATOM 655 NE ARG A 42 4.496 -7.339 19.448 1.00 0.00 N ATOM 656 CZ ARG A 42 3.905 -6.511 20.302 1.00 0.00 C ATOM 657 NH1 ARG A 42 3.588 -5.280 19.925 1.00 0.00 N ATOM 658 NH2 ARG A 42 3.628 -6.914 21.535 1.00 0.00 N ATOM 0 H ARG A 42 6.509 -9.200 14.156 1.00 0.00 H new ATOM 0 HA ARG A 42 5.083 -6.770 15.016 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.580 -7.921 16.324 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.881 -6.353 16.678 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.141 -8.788 16.961 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.360 -8.485 18.183 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.325 -6.003 18.066 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.921 -6.879 17.489 1.00 0.00 H new ATOM 0 HE ARG A 42 4.726 -8.279 19.769 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.798 -4.967 18.977 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.134 -4.646 20.583 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.869 -7.861 21.828 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.174 -6.277 22.190 1.00 0.00 H new ATOM 672 N GLN A 43 6.561 -5.453 13.542 1.00 0.00 N ATOM 673 CA GLN A 43 7.372 -4.684 12.605 1.00 0.00 C ATOM 674 C GLN A 43 6.987 -3.209 12.635 1.00 0.00 C ATOM 675 O GLN A 43 5.853 -2.858 12.962 1.00 0.00 O ATOM 676 CB GLN A 43 7.212 -5.237 11.188 1.00 0.00 C ATOM 677 CG GLN A 43 5.788 -5.650 10.853 1.00 0.00 C ATOM 678 CD GLN A 43 4.807 -4.499 10.959 1.00 0.00 C ATOM 679 OE1 GLN A 43 4.023 -4.422 11.906 1.00 0.00 O ATOM 680 NE2 GLN A 43 4.844 -3.597 9.985 1.00 0.00 N ATOM 0 H GLN A 43 5.682 -5.007 13.804 1.00 0.00 H new ATOM 0 HA GLN A 43 8.415 -4.774 12.907 1.00 0.00 H new ATOM 0 HB2 GLN A 43 7.540 -4.482 10.473 1.00 0.00 H new ATOM 0 HB3 GLN A 43 7.869 -6.098 11.067 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.759 -6.055 9.841 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.478 -6.450 11.525 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.510 -3.700 9.219 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.206 -2.801 10.003 1.00 0.00 H new ATOM 689 N LYS A 44 7.939 -2.347 12.292 1.00 0.00 N ATOM 690 CA LYS A 44 7.700 -0.909 12.279 1.00 0.00 C ATOM 691 C LYS A 44 8.606 -0.217 11.265 1.00 0.00 C ATOM 692 O LYS A 44 9.672 0.292 11.615 1.00 0.00 O ATOM 693 CB LYS A 44 7.932 -0.319 13.672 1.00 0.00 C ATOM 694 CG LYS A 44 6.862 0.670 14.099 1.00 0.00 C ATOM 695 CD LYS A 44 7.060 2.025 13.440 1.00 0.00 C ATOM 696 CE LYS A 44 7.948 2.930 14.281 1.00 0.00 C ATOM 697 NZ LYS A 44 7.291 3.318 15.560 1.00 0.00 N ATOM 0 H LYS A 44 8.883 -2.620 12.019 1.00 0.00 H new ATOM 0 HA LYS A 44 6.663 -0.741 11.989 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.976 -1.130 14.398 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.902 0.178 13.690 1.00 0.00 H new ATOM 0 HG2 LYS A 44 5.879 0.278 13.839 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.883 0.785 15.183 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.506 1.890 12.455 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.092 2.502 13.289 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.887 2.420 14.495 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.195 3.827 13.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.690 4.218 15.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.269 3.429 15.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.455 2.579 16.273 1.00 0.00 H new ATOM 711 N LEU A 45 8.176 -0.200 10.008 1.00 0.00 N ATOM 712 CA LEU A 45 8.948 0.431 8.944 1.00 0.00 C ATOM 713 C LEU A 45 8.631 1.920 8.851 1.00 0.00 C ATOM 714 O LEU A 45 7.691 2.406 9.481 1.00 0.00 O ATOM 715 CB LEU A 45 8.657 -0.248 7.604 1.00 0.00 C ATOM 716 CG LEU A 45 8.750 -1.774 7.592 1.00 0.00 C ATOM 717 CD1 LEU A 45 7.404 -2.394 7.934 1.00 0.00 C ATOM 718 CD2 LEU A 45 9.238 -2.268 6.237 1.00 0.00 C ATOM 0 H LEU A 45 7.297 -0.616 9.701 1.00 0.00 H new ATOM 0 HA LEU A 45 10.006 0.317 9.180 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.655 0.038 7.285 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.352 0.144 6.862 1.00 0.00 H new ATOM 0 HG LEU A 45 9.471 -2.081 8.350 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.490 -3.481 7.920 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.094 -2.067 8.927 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.662 -2.080 7.200 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.298 -3.356 6.247 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.541 -1.950 5.461 1.00 0.00 H new ATOM 0 HD23 LEU A 45 10.224 -1.852 6.032 1.00 0.00 H new ATOM 730 N LEU A 46 9.419 2.639 8.060 1.00 0.00 N ATOM 731 CA LEU A 46 9.222 4.074 7.882 1.00 0.00 C ATOM 732 C LEU A 46 8.042 4.350 6.955 1.00 0.00 C ATOM 733 O LEU A 46 7.553 5.476 6.876 1.00 0.00 O ATOM 734 CB LEU A 46 10.490 4.717 7.319 1.00 0.00 C ATOM 735 CG LEU A 46 10.521 4.925 5.804 1.00 0.00 C ATOM 736 CD1 LEU A 46 11.796 5.643 5.390 1.00 0.00 C ATOM 737 CD2 LEU A 46 10.397 3.592 5.080 1.00 0.00 C ATOM 0 H LEU A 46 10.201 2.252 7.531 1.00 0.00 H new ATOM 0 HA LEU A 46 9.004 4.510 8.857 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.628 5.685 7.801 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.342 4.098 7.598 1.00 0.00 H new ATOM 0 HG LEU A 46 9.671 5.548 5.524 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.801 5.782 4.309 1.00 0.00 H new ATOM 0 HD12 LEU A 46 11.842 6.615 5.881 1.00 0.00 H new ATOM 0 HD13 LEU A 46 12.661 5.047 5.683 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.421 3.759 4.003 1.00 0.00 H new ATOM 0 HD22 LEU A 46 11.226 2.945 5.365 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.455 3.116 5.352 1.00 0.00 H new ATOM 749 N GLY A 47 7.589 3.314 6.256 1.00 0.00 N ATOM 750 CA GLY A 47 6.469 3.465 5.346 1.00 0.00 C ATOM 751 C GLY A 47 6.153 2.185 4.598 1.00 0.00 C ATOM 752 O GLY A 47 4.988 1.881 4.337 1.00 0.00 O ATOM 0 H GLY A 47 7.978 2.372 6.304 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.589 3.781 5.907 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.691 4.256 4.629 1.00 0.00 H new ATOM 756 N LEU A 48 7.191 1.433 4.250 1.00 0.00 N ATOM 757 CA LEU A 48 7.019 0.179 3.526 1.00 0.00 C ATOM 758 C LEU A 48 6.276 -0.845 4.378 1.00 0.00 C ATOM 759 O LEU A 48 6.360 -0.824 5.607 1.00 0.00 O ATOM 760 CB LEU A 48 8.379 -0.381 3.105 1.00 0.00 C ATOM 761 CG LEU A 48 8.366 -1.776 2.479 1.00 0.00 C ATOM 762 CD1 LEU A 48 7.643 -1.754 1.141 1.00 0.00 C ATOM 763 CD2 LEU A 48 9.785 -2.299 2.312 1.00 0.00 C ATOM 0 H LEU A 48 8.161 1.670 4.458 1.00 0.00 H new ATOM 0 HA LEU A 48 6.425 0.382 2.635 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.830 0.311 2.393 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.027 -0.404 3.981 1.00 0.00 H new ATOM 0 HG LEU A 48 7.829 -2.448 3.148 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.644 -2.755 0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.615 -1.423 1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.151 -1.068 0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 48 9.756 -3.293 1.865 1.00 0.00 H new ATOM 0 HD22 LEU A 48 10.347 -1.626 1.664 1.00 0.00 H new ATOM 0 HD23 LEU A 48 10.270 -2.353 3.287 1.00 0.00 H new ATOM 775 N LYS A 49 5.551 -1.742 3.719 1.00 0.00 N ATOM 776 CA LYS A 49 4.797 -2.778 4.415 1.00 0.00 C ATOM 777 C LYS A 49 3.874 -2.166 5.464 1.00 0.00 C ATOM 778 O LYS A 49 4.124 -2.274 6.665 1.00 0.00 O ATOM 779 CB LYS A 49 5.750 -3.774 5.078 1.00 0.00 C ATOM 780 CG LYS A 49 6.116 -4.950 4.189 1.00 0.00 C ATOM 781 CD LYS A 49 5.112 -6.083 4.323 1.00 0.00 C ATOM 782 CE LYS A 49 5.253 -7.089 3.191 1.00 0.00 C ATOM 783 NZ LYS A 49 4.129 -8.066 3.173 1.00 0.00 N ATOM 0 H LYS A 49 5.469 -1.773 2.703 1.00 0.00 H new ATOM 0 HA LYS A 49 4.187 -3.303 3.681 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.662 -3.253 5.370 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.291 -4.150 5.992 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.160 -4.622 3.150 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.110 -5.311 4.452 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.256 -6.587 5.279 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.101 -5.676 4.326 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.290 -6.561 2.238 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.197 -7.624 3.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.509 -9.030 3.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.586 -7.986 4.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.507 -7.864 2.365 1.00 0.00 H new ATOM 797 N VAL A 50 2.805 -1.524 5.003 1.00 0.00 N ATOM 798 CA VAL A 50 1.843 -0.897 5.902 1.00 0.00 C ATOM 799 C VAL A 50 0.808 -1.906 6.390 1.00 0.00 C ATOM 800 O VAL A 50 0.428 -2.823 5.662 1.00 0.00 O ATOM 801 CB VAL A 50 1.117 0.276 5.218 1.00 0.00 C ATOM 802 CG1 VAL A 50 2.083 1.420 4.953 1.00 0.00 C ATOM 803 CG2 VAL A 50 0.458 -0.186 3.927 1.00 0.00 C ATOM 0 H VAL A 50 2.583 -1.424 4.012 1.00 0.00 H new ATOM 0 HA VAL A 50 2.407 -0.518 6.754 1.00 0.00 H new ATOM 0 HB VAL A 50 0.337 0.638 5.888 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.552 2.240 4.469 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.504 1.767 5.897 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.887 1.074 4.303 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.051 0.656 3.457 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.218 -0.575 3.250 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.266 -0.970 4.148 1.00 0.00 H new ATOM 813 N LYS A 51 0.356 -1.730 7.627 1.00 0.00 N ATOM 814 CA LYS A 51 -0.636 -2.622 8.213 1.00 0.00 C ATOM 815 C LYS A 51 -2.045 -2.231 7.778 1.00 0.00 C ATOM 816 O LYS A 51 -2.328 -1.058 7.541 1.00 0.00 O ATOM 817 CB LYS A 51 -0.537 -2.596 9.740 1.00 0.00 C ATOM 818 CG LYS A 51 -1.051 -3.861 10.405 1.00 0.00 C ATOM 819 CD LYS A 51 -0.115 -5.034 10.171 1.00 0.00 C ATOM 820 CE LYS A 51 -0.849 -6.363 10.271 1.00 0.00 C ATOM 821 NZ LYS A 51 0.088 -7.519 10.227 1.00 0.00 N ATOM 0 H LYS A 51 0.662 -0.977 8.243 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.433 -3.633 7.859 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.504 -2.443 10.026 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.100 -1.743 10.118 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.162 -3.691 11.476 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.041 -4.101 10.016 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.344 -4.944 9.186 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.693 -5.008 10.902 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.420 -6.394 11.199 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.565 -6.445 9.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.451 -8.406 10.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.615 -7.505 9.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.756 -7.455 11.022 1.00 0.00 H new ATOM 835 N GLY A 52 -2.925 -3.222 7.676 1.00 0.00 N ATOM 836 CA GLY A 52 -4.294 -2.960 7.271 1.00 0.00 C ATOM 837 C GLY A 52 -4.439 -2.831 5.768 1.00 0.00 C ATOM 838 O GLY A 52 -5.529 -2.563 5.262 1.00 0.00 O ATOM 0 H GLY A 52 -2.715 -4.202 7.867 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.936 -3.766 7.627 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.641 -2.043 7.747 1.00 0.00 H new ATOM 842 N LYS A 53 -3.337 -3.020 5.050 1.00 0.00 N ATOM 843 CA LYS A 53 -3.345 -2.923 3.595 1.00 0.00 C ATOM 844 C LYS A 53 -1.960 -3.209 3.024 1.00 0.00 C ATOM 845 O LYS A 53 -1.282 -2.323 2.502 1.00 0.00 O ATOM 846 CB LYS A 53 -3.811 -1.532 3.159 1.00 0.00 C ATOM 847 CG LYS A 53 -3.198 -0.403 3.969 1.00 0.00 C ATOM 848 CD LYS A 53 -3.325 0.930 3.252 1.00 0.00 C ATOM 849 CE LYS A 53 -4.753 1.452 3.295 1.00 0.00 C ATOM 850 NZ LYS A 53 -5.189 1.763 4.684 1.00 0.00 N ATOM 0 H LYS A 53 -2.426 -3.241 5.452 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.039 -3.669 3.209 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.564 -1.389 2.107 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.897 -1.479 3.242 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.689 -0.343 4.940 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.146 -0.618 4.156 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.657 1.657 3.713 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.008 0.818 2.215 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.830 2.349 2.681 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.424 0.710 2.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.011 2.399 4.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.449 0.882 5.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.411 2.226 5.197 1.00 0.00 H new ATOM 864 N PRO A 54 -1.527 -4.475 3.122 1.00 0.00 N ATOM 865 CA PRO A 54 -0.220 -4.906 2.618 1.00 0.00 C ATOM 866 C PRO A 54 -0.155 -4.899 1.095 1.00 0.00 C ATOM 867 O PRO A 54 -1.173 -5.048 0.420 1.00 0.00 O ATOM 868 CB PRO A 54 -0.088 -6.335 3.152 1.00 0.00 C ATOM 869 CG PRO A 54 -1.491 -6.800 3.341 1.00 0.00 C ATOM 870 CD PRO A 54 -2.282 -5.582 3.732 1.00 0.00 C ATOM 0 HA PRO A 54 0.581 -4.240 2.940 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.449 -6.972 2.449 1.00 0.00 H new ATOM 0 HB3 PRO A 54 0.466 -6.357 4.090 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.882 -7.242 2.425 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -1.547 -7.567 4.114 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.303 -5.628 3.354 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.347 -5.476 4.815 1.00 0.00 H new ATOM 878 N ALA A 55 1.049 -4.725 0.560 1.00 0.00 N ATOM 879 CA ALA A 55 1.247 -4.701 -0.884 1.00 0.00 C ATOM 880 C ALA A 55 0.605 -5.914 -1.547 1.00 0.00 C ATOM 881 O ALA A 55 0.545 -6.994 -0.959 1.00 0.00 O ATOM 882 CB ALA A 55 2.732 -4.642 -1.212 1.00 0.00 C ATOM 0 H ALA A 55 1.902 -4.599 1.105 1.00 0.00 H new ATOM 0 HA ALA A 55 0.763 -3.807 -1.277 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.865 -4.625 -2.294 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.165 -3.740 -0.778 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.231 -5.519 -0.799 1.00 0.00 H new ATOM 888 N GLU A 56 0.125 -5.729 -2.773 1.00 0.00 N ATOM 889 CA GLU A 56 -0.515 -6.810 -3.514 1.00 0.00 C ATOM 890 C GLU A 56 0.447 -7.415 -4.532 1.00 0.00 C ATOM 891 O GLU A 56 1.410 -6.773 -4.949 1.00 0.00 O ATOM 892 CB GLU A 56 -1.770 -6.299 -4.223 1.00 0.00 C ATOM 893 CG GLU A 56 -2.728 -7.403 -4.637 1.00 0.00 C ATOM 894 CD GLU A 56 -4.163 -6.925 -4.735 1.00 0.00 C ATOM 895 OE1 GLU A 56 -4.375 -5.695 -4.798 1.00 0.00 O ATOM 896 OE2 GLU A 56 -5.074 -7.778 -4.749 1.00 0.00 O ATOM 0 H GLU A 56 0.167 -4.841 -3.274 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.799 -7.585 -2.803 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.292 -5.605 -3.564 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.473 -5.736 -5.108 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.417 -7.806 -5.601 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.669 -8.219 -3.916 1.00 0.00 H new ATOM 903 N ASN A 57 0.179 -8.655 -4.927 1.00 0.00 N ATOM 904 CA ASN A 57 1.020 -9.348 -5.895 1.00 0.00 C ATOM 905 C ASN A 57 0.903 -8.708 -7.275 1.00 0.00 C ATOM 906 O ASN A 57 1.844 -8.741 -8.068 1.00 0.00 O ATOM 907 CB ASN A 57 0.634 -10.827 -5.973 1.00 0.00 C ATOM 908 CG ASN A 57 -0.863 -11.027 -6.112 1.00 0.00 C ATOM 909 OD1 ASN A 57 -1.566 -11.243 -5.125 1.00 0.00 O ATOM 910 ND2 ASN A 57 -1.357 -10.954 -7.343 1.00 0.00 N ATOM 0 H ASN A 57 -0.615 -9.201 -4.591 1.00 0.00 H new ATOM 0 HA ASN A 57 2.055 -9.266 -5.562 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.140 -11.287 -6.822 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.985 -11.339 -5.077 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.357 -11.079 -7.499 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.736 -10.773 -8.132 1.00 0.00 H new ATOM 917 N ASP A 58 -0.258 -8.125 -7.554 1.00 0.00 N ATOM 918 CA ASP A 58 -0.499 -7.475 -8.837 1.00 0.00 C ATOM 919 C ASP A 58 0.603 -6.469 -9.151 1.00 0.00 C ATOM 920 O ASP A 58 0.934 -6.237 -10.314 1.00 0.00 O ATOM 921 CB ASP A 58 -1.859 -6.776 -8.831 1.00 0.00 C ATOM 922 CG ASP A 58 -2.985 -7.702 -8.416 1.00 0.00 C ATOM 923 OD1 ASP A 58 -2.918 -8.904 -8.750 1.00 0.00 O ATOM 924 OD2 ASP A 58 -3.935 -7.226 -7.759 1.00 0.00 O ATOM 0 H ASP A 58 -1.047 -8.089 -6.909 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.497 -8.242 -9.612 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.824 -5.925 -8.151 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.065 -6.381 -9.826 1.00 0.00 H new ATOM 929 N VAL A 59 1.168 -5.872 -8.107 1.00 0.00 N ATOM 930 CA VAL A 59 2.234 -4.890 -8.271 1.00 0.00 C ATOM 931 C VAL A 59 3.416 -5.484 -9.029 1.00 0.00 C ATOM 932 O VAL A 59 3.675 -6.685 -8.956 1.00 0.00 O ATOM 933 CB VAL A 59 2.724 -4.361 -6.910 1.00 0.00 C ATOM 934 CG1 VAL A 59 3.748 -3.253 -7.106 1.00 0.00 C ATOM 935 CG2 VAL A 59 1.551 -3.873 -6.075 1.00 0.00 C ATOM 0 H VAL A 59 0.905 -6.051 -7.138 1.00 0.00 H new ATOM 0 HA VAL A 59 1.817 -4.062 -8.845 1.00 0.00 H new ATOM 0 HB VAL A 59 3.206 -5.178 -6.374 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.083 -2.891 -6.134 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.601 -3.640 -7.663 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.294 -2.432 -7.662 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.916 -3.503 -5.117 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.038 -3.069 -6.603 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.857 -4.697 -5.906 1.00 0.00 H new ATOM 945 N LYS A 60 4.131 -4.634 -9.759 1.00 0.00 N ATOM 946 CA LYS A 60 5.287 -5.072 -10.530 1.00 0.00 C ATOM 947 C LYS A 60 6.172 -3.887 -10.905 1.00 0.00 C ATOM 948 O LYS A 60 5.892 -2.747 -10.531 1.00 0.00 O ATOM 949 CB LYS A 60 4.835 -5.805 -11.795 1.00 0.00 C ATOM 950 CG LYS A 60 3.684 -5.122 -12.514 1.00 0.00 C ATOM 951 CD LYS A 60 4.038 -4.804 -13.957 1.00 0.00 C ATOM 952 CE LYS A 60 3.334 -5.743 -14.924 1.00 0.00 C ATOM 953 NZ LYS A 60 3.534 -5.331 -16.342 1.00 0.00 N ATOM 0 H LYS A 60 3.929 -3.637 -9.832 1.00 0.00 H new ATOM 0 HA LYS A 60 5.868 -5.755 -9.910 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.680 -5.889 -12.478 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.537 -6.819 -11.530 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.804 -5.765 -12.487 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.422 -4.202 -11.991 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.761 -3.774 -14.182 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.117 -4.881 -14.094 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.709 -6.757 -14.784 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.268 -5.764 -14.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.039 -5.996 -16.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.153 -4.373 -16.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.550 -5.336 -16.565 1.00 0.00 H new ATOM 967 N LEU A 61 7.239 -4.163 -11.647 1.00 0.00 N ATOM 968 CA LEU A 61 8.164 -3.119 -12.075 1.00 0.00 C ATOM 969 C LEU A 61 7.430 -2.021 -12.839 1.00 0.00 C ATOM 970 O LEU A 61 7.829 -0.857 -12.809 1.00 0.00 O ATOM 971 CB LEU A 61 9.268 -3.715 -12.950 1.00 0.00 C ATOM 972 CG LEU A 61 10.253 -2.717 -13.560 1.00 0.00 C ATOM 973 CD1 LEU A 61 11.287 -2.290 -12.530 1.00 0.00 C ATOM 974 CD2 LEU A 61 10.932 -3.318 -14.782 1.00 0.00 C ATOM 0 H LEU A 61 7.485 -5.101 -11.965 1.00 0.00 H new ATOM 0 HA LEU A 61 8.613 -2.679 -11.185 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.831 -4.431 -12.352 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.800 -4.274 -13.760 1.00 0.00 H new ATOM 0 HG LEU A 61 9.698 -1.834 -13.875 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.979 -1.580 -12.982 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.785 -1.819 -11.684 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.839 -3.164 -12.184 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.630 -2.594 -15.203 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.474 -4.218 -14.491 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.179 -3.573 -15.528 1.00 0.00 H new ATOM 986 N GLY A 62 6.354 -2.400 -13.522 1.00 0.00 N ATOM 987 CA GLY A 62 5.581 -1.436 -14.282 1.00 0.00 C ATOM 988 C GLY A 62 4.588 -0.680 -13.421 1.00 0.00 C ATOM 989 O GLY A 62 3.714 0.017 -13.936 1.00 0.00 O ATOM 0 H GLY A 62 6.004 -3.357 -13.562 1.00 0.00 H new ATOM 0 HA2 GLY A 62 6.258 -0.727 -14.758 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.047 -1.952 -15.080 1.00 0.00 H new ATOM 993 N ALA A 63 4.721 -0.820 -12.107 1.00 0.00 N ATOM 994 CA ALA A 63 3.828 -0.145 -11.173 1.00 0.00 C ATOM 995 C ALA A 63 4.614 0.701 -10.176 1.00 0.00 C ATOM 996 O ALA A 63 4.148 1.752 -9.735 1.00 0.00 O ATOM 997 CB ALA A 63 2.965 -1.161 -10.440 1.00 0.00 C ATOM 0 H ALA A 63 5.438 -1.395 -11.665 1.00 0.00 H new ATOM 0 HA ALA A 63 3.181 0.521 -11.744 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.303 -0.643 -9.746 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.369 -1.720 -11.161 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.604 -1.849 -9.887 1.00 0.00 H new ATOM 1003 N LEU A 64 5.808 0.236 -9.825 1.00 0.00 N ATOM 1004 CA LEU A 64 6.659 0.950 -8.879 1.00 0.00 C ATOM 1005 C LEU A 64 7.924 1.459 -9.562 1.00 0.00 C ATOM 1006 O LEU A 64 9.028 0.998 -9.272 1.00 0.00 O ATOM 1007 CB LEU A 64 7.029 0.038 -7.708 1.00 0.00 C ATOM 1008 CG LEU A 64 5.962 -0.968 -7.276 1.00 0.00 C ATOM 1009 CD1 LEU A 64 6.540 -1.969 -6.288 1.00 0.00 C ATOM 1010 CD2 LEU A 64 4.765 -0.249 -6.672 1.00 0.00 C ATOM 0 H LEU A 64 6.209 -0.632 -10.181 1.00 0.00 H new ATOM 0 HA LEU A 64 6.102 1.808 -8.502 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.932 -0.512 -7.974 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.278 0.664 -6.851 1.00 0.00 H new ATOM 0 HG LEU A 64 5.626 -1.513 -8.158 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.766 -2.677 -5.992 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.364 -2.507 -6.756 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.905 -1.441 -5.407 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.015 -0.981 -6.370 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.085 0.323 -5.801 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.335 0.427 -7.411 1.00 0.00 H new ATOM 1022 N LYS A 65 7.756 2.415 -10.469 1.00 0.00 N ATOM 1023 CA LYS A 65 8.884 2.992 -11.192 1.00 0.00 C ATOM 1024 C LYS A 65 9.803 3.756 -10.245 1.00 0.00 C ATOM 1025 O LYS A 65 10.868 4.229 -10.645 1.00 0.00 O ATOM 1026 CB LYS A 65 8.384 3.924 -12.298 1.00 0.00 C ATOM 1027 CG LYS A 65 7.423 3.257 -13.267 1.00 0.00 C ATOM 1028 CD LYS A 65 8.163 2.555 -14.393 1.00 0.00 C ATOM 1029 CE LYS A 65 7.380 2.613 -15.696 1.00 0.00 C ATOM 1030 NZ LYS A 65 7.965 1.720 -16.734 1.00 0.00 N ATOM 0 H LYS A 65 6.849 2.807 -10.721 1.00 0.00 H new ATOM 0 HA LYS A 65 9.451 2.177 -11.641 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.890 4.782 -11.843 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.240 4.307 -12.854 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.806 2.536 -12.731 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.749 4.005 -13.684 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.139 3.019 -14.533 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.341 1.515 -14.120 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.345 2.326 -15.511 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.365 3.638 -16.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.403 1.788 -17.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.945 2.010 -16.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.956 0.738 -16.392 1.00 0.00 H new ATOM 1044 N LEU A 66 9.387 3.872 -8.989 1.00 0.00 N ATOM 1045 CA LEU A 66 10.175 4.578 -7.984 1.00 0.00 C ATOM 1046 C LEU A 66 11.635 4.140 -8.031 1.00 0.00 C ATOM 1047 O LEU A 66 11.969 3.117 -8.629 1.00 0.00 O ATOM 1048 CB LEU A 66 9.599 4.328 -6.589 1.00 0.00 C ATOM 1049 CG LEU A 66 8.689 5.423 -6.033 1.00 0.00 C ATOM 1050 CD1 LEU A 66 7.526 4.812 -5.266 1.00 0.00 C ATOM 1051 CD2 LEU A 66 9.478 6.372 -5.142 1.00 0.00 C ATOM 0 H LEU A 66 8.509 3.487 -8.642 1.00 0.00 H new ATOM 0 HA LEU A 66 10.128 5.645 -8.204 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.038 3.394 -6.611 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.428 4.185 -5.896 1.00 0.00 H new ATOM 0 HG LEU A 66 8.286 5.993 -6.870 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.889 5.607 -4.877 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.945 4.175 -5.933 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.909 4.217 -4.437 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.814 7.145 -4.755 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.910 5.815 -4.310 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.276 6.836 -5.721 1.00 0.00 H new ATOM 1063 N LYS A 67 12.502 4.920 -7.393 1.00 0.00 N ATOM 1064 CA LYS A 67 13.926 4.612 -7.358 1.00 0.00 C ATOM 1065 C LYS A 67 14.342 4.117 -5.976 1.00 0.00 C ATOM 1066 O LYS A 67 13.653 4.335 -4.979 1.00 0.00 O ATOM 1067 CB LYS A 67 14.746 5.848 -7.736 1.00 0.00 C ATOM 1068 CG LYS A 67 14.144 7.152 -7.240 1.00 0.00 C ATOM 1069 CD LYS A 67 15.102 8.316 -7.432 1.00 0.00 C ATOM 1070 CE LYS A 67 14.356 9.606 -7.737 1.00 0.00 C ATOM 1071 NZ LYS A 67 13.982 9.704 -9.175 1.00 0.00 N ATOM 0 H LYS A 67 12.242 5.770 -6.893 1.00 0.00 H new ATOM 0 HA LYS A 67 14.118 3.820 -8.082 1.00 0.00 H new ATOM 0 HB2 LYS A 67 15.752 5.744 -7.330 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.843 5.892 -8.821 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.215 7.352 -7.774 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.890 7.058 -6.184 1.00 0.00 H new ATOM 0 HD2 LYS A 67 15.703 8.446 -6.532 1.00 0.00 H new ATOM 0 HD3 LYS A 67 15.791 8.091 -8.246 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.457 9.659 -7.123 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.978 10.458 -7.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 13.476 10.597 -9.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 14.842 9.679 -9.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.367 8.905 -9.429 1.00 0.00 H new ATOM 1085 N PRO A 68 15.496 3.436 -5.912 1.00 0.00 N ATOM 1086 CA PRO A 68 16.029 2.898 -4.658 1.00 0.00 C ATOM 1087 C PRO A 68 16.511 3.996 -3.715 1.00 0.00 C ATOM 1088 O PRO A 68 16.745 3.752 -2.532 1.00 0.00 O ATOM 1089 CB PRO A 68 17.205 2.032 -5.115 1.00 0.00 C ATOM 1090 CG PRO A 68 17.624 2.619 -6.418 1.00 0.00 C ATOM 1091 CD PRO A 68 16.368 3.140 -7.061 1.00 0.00 C ATOM 0 HA PRO A 68 15.273 2.351 -4.095 1.00 0.00 H new ATOM 0 HB2 PRO A 68 18.019 2.055 -4.390 1.00 0.00 H new ATOM 0 HB3 PRO A 68 16.908 0.989 -5.228 1.00 0.00 H new ATOM 0 HG2 PRO A 68 18.348 3.420 -6.270 1.00 0.00 H new ATOM 0 HG3 PRO A 68 18.103 1.869 -7.048 1.00 0.00 H new ATOM 0 HD2 PRO A 68 16.562 4.031 -7.659 1.00 0.00 H new ATOM 0 HD3 PRO A 68 15.920 2.401 -7.726 1.00 0.00 H new ATOM 1099 N ASN A 69 16.658 5.205 -4.248 1.00 0.00 N ATOM 1100 CA ASN A 69 17.113 6.340 -3.453 1.00 0.00 C ATOM 1101 C ASN A 69 16.222 6.540 -2.231 1.00 0.00 C ATOM 1102 O ASN A 69 16.646 7.111 -1.226 1.00 0.00 O ATOM 1103 CB ASN A 69 17.126 7.612 -4.303 1.00 0.00 C ATOM 1104 CG ASN A 69 17.664 8.809 -3.544 1.00 0.00 C ATOM 1105 OD1 ASN A 69 16.904 9.668 -3.098 1.00 0.00 O ATOM 1106 ND2 ASN A 69 18.982 8.871 -3.395 1.00 0.00 N ATOM 0 H ASN A 69 16.469 5.424 -5.226 1.00 0.00 H new ATOM 0 HA ASN A 69 18.126 6.130 -3.111 1.00 0.00 H new ATOM 0 HB2 ASN A 69 17.734 7.445 -5.192 1.00 0.00 H new ATOM 0 HB3 ASN A 69 16.114 7.827 -4.645 1.00 0.00 H new ATOM 0 HD21 ASN A 69 19.402 9.654 -2.894 1.00 0.00 H new ATOM 0 HD22 ASN A 69 19.574 8.136 -3.782 1.00 0.00 H new ATOM 1113 N THR A 70 14.983 6.066 -2.325 1.00 0.00 N ATOM 1114 CA THR A 70 14.031 6.194 -1.228 1.00 0.00 C ATOM 1115 C THR A 70 14.644 5.730 0.088 1.00 0.00 C ATOM 1116 O THR A 70 14.552 6.419 1.105 1.00 0.00 O ATOM 1117 CB THR A 70 12.750 5.382 -1.499 1.00 0.00 C ATOM 1118 OG1 THR A 70 13.012 4.366 -2.474 1.00 0.00 O ATOM 1119 CG2 THR A 70 11.630 6.286 -1.990 1.00 0.00 C ATOM 0 H THR A 70 14.616 5.590 -3.149 1.00 0.00 H new ATOM 0 HA THR A 70 13.774 7.251 -1.154 1.00 0.00 H new ATOM 0 HB THR A 70 12.436 4.917 -0.565 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.957 4.753 -3.373 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.736 5.690 -2.175 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.413 7.041 -1.234 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.937 6.776 -2.914 1.00 0.00 H new ATOM 1127 N LYS A 71 15.271 4.559 0.064 1.00 0.00 N ATOM 1128 CA LYS A 71 15.901 4.003 1.255 1.00 0.00 C ATOM 1129 C LYS A 71 14.864 3.717 2.337 1.00 0.00 C ATOM 1130 O LYS A 71 14.294 4.637 2.923 1.00 0.00 O ATOM 1131 CB LYS A 71 16.961 4.968 1.793 1.00 0.00 C ATOM 1132 CG LYS A 71 18.382 4.576 1.426 1.00 0.00 C ATOM 1133 CD LYS A 71 19.403 5.419 2.172 1.00 0.00 C ATOM 1134 CE LYS A 71 19.402 6.859 1.682 1.00 0.00 C ATOM 1135 NZ LYS A 71 18.365 7.678 2.369 1.00 0.00 N ATOM 0 H LYS A 71 15.356 3.976 -0.769 1.00 0.00 H new ATOM 0 HA LYS A 71 16.379 3.064 0.978 1.00 0.00 H new ATOM 0 HB2 LYS A 71 16.758 5.968 1.409 1.00 0.00 H new ATOM 0 HB3 LYS A 71 16.876 5.020 2.878 1.00 0.00 H new ATOM 0 HG2 LYS A 71 18.541 3.522 1.656 1.00 0.00 H new ATOM 0 HG3 LYS A 71 18.527 4.693 0.352 1.00 0.00 H new ATOM 0 HD2 LYS A 71 19.184 5.397 3.240 1.00 0.00 H new ATOM 0 HD3 LYS A 71 20.396 4.990 2.041 1.00 0.00 H new ATOM 0 HE2 LYS A 71 20.384 7.301 1.851 1.00 0.00 H new ATOM 0 HE3 LYS A 71 19.225 6.877 0.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 17.642 7.971 1.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 17.919 7.114 3.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 18.808 8.522 2.785 1.00 0.00 H new ATOM 1149 N ILE A 72 14.626 2.435 2.596 1.00 0.00 N ATOM 1150 CA ILE A 72 13.659 2.029 3.608 1.00 0.00 C ATOM 1151 C ILE A 72 14.351 1.691 4.925 1.00 0.00 C ATOM 1152 O ILE A 72 15.455 1.148 4.936 1.00 0.00 O ATOM 1153 CB ILE A 72 12.838 0.810 3.146 1.00 0.00 C ATOM 1154 CG1 ILE A 72 11.803 0.433 4.207 1.00 0.00 C ATOM 1155 CG2 ILE A 72 13.757 -0.366 2.852 1.00 0.00 C ATOM 1156 CD1 ILE A 72 12.277 -0.643 5.159 1.00 0.00 C ATOM 0 H ILE A 72 15.089 1.661 2.120 1.00 0.00 H new ATOM 0 HA ILE A 72 12.987 2.874 3.759 1.00 0.00 H new ATOM 0 HB ILE A 72 12.310 1.072 2.229 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.541 1.323 4.779 1.00 0.00 H new ATOM 0 HG13 ILE A 72 10.894 0.093 3.711 1.00 0.00 H new ATOM 0 HG21 ILE A 72 13.163 -1.220 2.527 1.00 0.00 H new ATOM 0 HG22 ILE A 72 14.459 -0.091 2.065 1.00 0.00 H new ATOM 0 HG23 ILE A 72 14.309 -0.631 3.754 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.492 -0.859 5.884 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.512 -1.547 4.598 1.00 0.00 H new ATOM 0 HD13 ILE A 72 13.169 -0.299 5.682 1.00 0.00 H new ATOM 1168 N MET A 73 13.693 2.016 6.033 1.00 0.00 N ATOM 1169 CA MET A 73 14.244 1.744 7.356 1.00 0.00 C ATOM 1170 C MET A 73 13.300 0.861 8.166 1.00 0.00 C ATOM 1171 O MET A 73 12.112 1.156 8.289 1.00 0.00 O ATOM 1172 CB MET A 73 14.503 3.054 8.102 1.00 0.00 C ATOM 1173 CG MET A 73 15.315 4.060 7.302 1.00 0.00 C ATOM 1174 SD MET A 73 16.231 5.205 8.351 1.00 0.00 S ATOM 1175 CE MET A 73 17.829 4.398 8.418 1.00 0.00 C ATOM 0 H MET A 73 12.778 2.468 6.041 1.00 0.00 H new ATOM 0 HA MET A 73 15.188 1.214 7.228 1.00 0.00 H new ATOM 0 HB2 MET A 73 13.547 3.504 8.372 1.00 0.00 H new ATOM 0 HB3 MET A 73 15.027 2.835 9.033 1.00 0.00 H new ATOM 0 HG2 MET A 73 16.013 3.527 6.657 1.00 0.00 H new ATOM 0 HG3 MET A 73 14.647 4.625 6.651 1.00 0.00 H new ATOM 0 HE1 MET A 73 18.509 4.988 9.033 1.00 0.00 H new ATOM 0 HE2 MET A 73 17.717 3.404 8.852 1.00 0.00 H new ATOM 0 HE3 MET A 73 18.235 4.310 7.410 1.00 0.00 H new ATOM 1185 N MET A 74 13.838 -0.222 8.718 1.00 0.00 N ATOM 1186 CA MET A 74 13.044 -1.147 9.517 1.00 0.00 C ATOM 1187 C MET A 74 13.330 -0.963 11.004 1.00 0.00 C ATOM 1188 O MET A 74 14.467 -0.713 11.401 1.00 0.00 O ATOM 1189 CB MET A 74 13.334 -2.591 9.105 1.00 0.00 C ATOM 1190 CG MET A 74 12.271 -3.189 8.198 1.00 0.00 C ATOM 1191 SD MET A 74 12.709 -4.836 7.607 1.00 0.00 S ATOM 1192 CE MET A 74 11.218 -5.285 6.722 1.00 0.00 C ATOM 0 H MET A 74 14.821 -0.480 8.626 1.00 0.00 H new ATOM 0 HA MET A 74 11.991 -0.931 9.337 1.00 0.00 H new ATOM 0 HB2 MET A 74 14.297 -2.629 8.596 1.00 0.00 H new ATOM 0 HB3 MET A 74 13.423 -3.205 10.001 1.00 0.00 H new ATOM 0 HG2 MET A 74 11.325 -3.240 8.738 1.00 0.00 H new ATOM 0 HG3 MET A 74 12.115 -2.530 7.344 1.00 0.00 H new ATOM 0 HE1 MET A 74 11.252 -6.344 6.465 1.00 0.00 H new ATOM 0 HE2 MET A 74 10.349 -5.092 7.351 1.00 0.00 H new ATOM 0 HE3 MET A 74 11.144 -4.693 5.810 1.00 0.00 H new ATOM 1202 N MET A 75 12.290 -1.090 11.822 1.00 0.00 N ATOM 1203 CA MET A 75 12.430 -0.938 13.266 1.00 0.00 C ATOM 1204 C MET A 75 11.625 -2.002 14.005 1.00 0.00 C ATOM 1205 O MET A 75 10.578 -2.442 13.532 1.00 0.00 O ATOM 1206 CB MET A 75 11.975 0.456 13.701 1.00 0.00 C ATOM 1207 CG MET A 75 12.514 1.573 12.821 1.00 0.00 C ATOM 1208 SD MET A 75 12.699 3.130 13.712 1.00 0.00 S ATOM 1209 CE MET A 75 14.386 3.561 13.294 1.00 0.00 C ATOM 0 H MET A 75 11.341 -1.298 11.510 1.00 0.00 H new ATOM 0 HA MET A 75 13.483 -1.063 13.519 1.00 0.00 H new ATOM 0 HB2 MET A 75 10.886 0.492 13.694 1.00 0.00 H new ATOM 0 HB3 MET A 75 12.293 0.629 14.729 1.00 0.00 H new ATOM 0 HG2 MET A 75 13.480 1.275 12.413 1.00 0.00 H new ATOM 0 HG3 MET A 75 11.842 1.720 11.975 1.00 0.00 H new ATOM 0 HE1 MET A 75 14.650 4.504 13.772 1.00 0.00 H new ATOM 0 HE2 MET A 75 15.059 2.777 13.642 1.00 0.00 H new ATOM 0 HE3 MET A 75 14.478 3.664 12.213 1.00 0.00 H new ATOM 1219 N GLY A 76 12.122 -2.412 15.169 1.00 0.00 N ATOM 1220 CA GLY A 76 11.436 -3.421 15.954 1.00 0.00 C ATOM 1221 C GLY A 76 11.128 -4.670 15.151 1.00 0.00 C ATOM 1222 O GLY A 76 10.165 -5.381 15.440 1.00 0.00 O ATOM 0 H GLY A 76 12.987 -2.063 15.581 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.050 -3.688 16.814 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.507 -3.005 16.343 1.00 0.00 H new ATOM 1226 N THR A 77 11.946 -4.937 14.138 1.00 0.00 N ATOM 1227 CA THR A 77 11.755 -6.106 13.290 1.00 0.00 C ATOM 1228 C THR A 77 12.688 -7.241 13.699 1.00 0.00 C ATOM 1229 O THR A 77 13.538 -7.670 12.918 1.00 0.00 O ATOM 1230 CB THR A 77 11.996 -5.769 11.806 1.00 0.00 C ATOM 1231 OG1 THR A 77 13.279 -5.154 11.645 1.00 0.00 O ATOM 1232 CG2 THR A 77 10.913 -4.840 11.280 1.00 0.00 C ATOM 0 H THR A 77 12.747 -4.359 13.885 1.00 0.00 H new ATOM 0 HA THR A 77 10.721 -6.425 13.420 1.00 0.00 H new ATOM 0 HB THR A 77 11.965 -6.697 11.236 1.00 0.00 H new ATOM 0 HG1 THR A 77 13.979 -5.780 11.926 1.00 0.00 H new ATOM 0 HG21 THR A 77 11.104 -4.616 10.231 1.00 0.00 H new ATOM 0 HG22 THR A 77 9.941 -5.323 11.377 1.00 0.00 H new ATOM 0 HG23 THR A 77 10.917 -3.914 11.855 1.00 0.00 H new ATOM 1240 N ARG A 78 12.523 -7.723 14.926 1.00 0.00 N ATOM 1241 CA ARG A 78 13.350 -8.808 15.439 1.00 0.00 C ATOM 1242 C ARG A 78 12.548 -9.710 16.372 1.00 0.00 C ATOM 1243 O ARG A 78 11.584 -9.270 16.997 1.00 0.00 O ATOM 1244 CB ARG A 78 14.566 -8.245 16.177 1.00 0.00 C ATOM 1245 CG ARG A 78 14.220 -7.157 17.180 1.00 0.00 C ATOM 1246 CD ARG A 78 15.469 -6.573 17.821 1.00 0.00 C ATOM 1247 NE ARG A 78 16.029 -7.460 18.838 1.00 0.00 N ATOM 1248 CZ ARG A 78 17.000 -7.103 19.670 1.00 0.00 C ATOM 1249 NH1 ARG A 78 17.518 -5.884 19.607 1.00 0.00 N ATOM 1250 NH2 ARG A 78 17.457 -7.966 20.569 1.00 0.00 N ATOM 0 H ARG A 78 11.824 -7.379 15.584 1.00 0.00 H new ATOM 0 HA ARG A 78 13.691 -9.403 14.592 1.00 0.00 H new ATOM 0 HB2 ARG A 78 15.074 -9.058 16.696 1.00 0.00 H new ATOM 0 HB3 ARG A 78 15.270 -7.844 15.447 1.00 0.00 H new ATOM 0 HG2 ARG A 78 13.661 -6.365 16.681 1.00 0.00 H new ATOM 0 HG3 ARG A 78 13.570 -7.567 17.953 1.00 0.00 H new ATOM 0 HD2 ARG A 78 16.218 -6.386 17.051 1.00 0.00 H new ATOM 0 HD3 ARG A 78 15.228 -5.610 18.272 1.00 0.00 H new ATOM 0 HE ARG A 78 15.653 -8.405 18.913 1.00 0.00 H new ATOM 0 HH11 ARG A 78 17.171 -5.217 18.918 1.00 0.00 H new ATOM 0 HH12 ARG A 78 18.264 -5.613 20.248 1.00 0.00 H new ATOM 0 HH21 ARG A 78 17.062 -8.905 20.621 1.00 0.00 H new ATOM 0 HH22 ARG A 78 18.203 -7.690 21.207 1.00 0.00 H new ATOM 1264 N GLU A 79 12.953 -10.973 16.459 1.00 0.00 N ATOM 1265 CA GLU A 79 12.270 -11.937 17.314 1.00 0.00 C ATOM 1266 C GLU A 79 13.275 -12.766 18.109 1.00 0.00 C ATOM 1267 O GLU A 79 14.142 -13.425 17.537 1.00 0.00 O ATOM 1268 CB GLU A 79 11.382 -12.858 16.475 1.00 0.00 C ATOM 1269 CG GLU A 79 10.806 -14.026 17.258 1.00 0.00 C ATOM 1270 CD GLU A 79 9.841 -14.859 16.437 1.00 0.00 C ATOM 1271 OE1 GLU A 79 9.823 -14.699 15.199 1.00 0.00 O ATOM 1272 OE2 GLU A 79 9.103 -15.671 17.034 1.00 0.00 O ATOM 0 H GLU A 79 13.750 -11.352 15.948 1.00 0.00 H new ATOM 0 HA GLU A 79 11.646 -11.384 18.015 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.563 -12.275 16.054 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.962 -13.244 15.637 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.620 -14.660 17.609 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.293 -13.648 18.142 1.00 0.00 H new ATOM 1279 N GLU A 80 13.150 -12.726 19.432 1.00 0.00 N ATOM 1280 CA GLU A 80 14.048 -13.472 20.306 1.00 0.00 C ATOM 1281 C GLU A 80 13.270 -14.460 21.170 1.00 0.00 C ATOM 1282 O GLU A 80 12.131 -14.199 21.559 1.00 0.00 O ATOM 1283 CB GLU A 80 14.842 -12.514 21.197 1.00 0.00 C ATOM 1284 CG GLU A 80 13.967 -11.599 22.037 1.00 0.00 C ATOM 1285 CD GLU A 80 14.736 -10.923 23.156 1.00 0.00 C ATOM 1286 OE1 GLU A 80 15.972 -10.791 23.032 1.00 0.00 O ATOM 1287 OE2 GLU A 80 14.101 -10.525 24.155 1.00 0.00 O ATOM 0 H GLU A 80 12.437 -12.186 19.921 1.00 0.00 H new ATOM 0 HA GLU A 80 14.741 -14.032 19.678 1.00 0.00 H new ATOM 0 HB2 GLU A 80 15.486 -13.095 21.858 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.494 -11.905 20.571 1.00 0.00 H new ATOM 0 HG2 GLU A 80 13.522 -10.838 21.396 1.00 0.00 H new ATOM 0 HG3 GLU A 80 13.146 -12.177 22.462 1.00 0.00 H new ATOM 1294 N SER A 81 13.892 -15.597 21.465 1.00 0.00 N ATOM 1295 CA SER A 81 13.257 -16.627 22.279 1.00 0.00 C ATOM 1296 C SER A 81 14.018 -16.834 23.585 1.00 0.00 C ATOM 1297 O SER A 81 14.915 -17.671 23.666 1.00 0.00 O ATOM 1298 CB SER A 81 13.182 -17.945 21.504 1.00 0.00 C ATOM 1299 OG SER A 81 12.612 -17.751 20.222 1.00 0.00 O ATOM 0 H SER A 81 14.835 -15.828 21.153 1.00 0.00 H new ATOM 0 HA SER A 81 12.246 -16.295 22.517 1.00 0.00 H new ATOM 0 HB2 SER A 81 14.182 -18.367 21.401 1.00 0.00 H new ATOM 0 HB3 SER A 81 12.588 -18.667 22.064 1.00 0.00 H new ATOM 0 HG SER A 81 12.577 -18.607 19.747 1.00 0.00 H new TER 1305 SER A 81