USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 985 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 106 SER OG : rot -70:sc= 0.43 USER MOD Set 1.2: A 107 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 12 TYR OH : rot 165:sc= 0 USER MOD Set 2.2: A 103 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 96 THR OG1 : rot 95:sc= 1.19 USER MOD Set 3.2: A 97 ASN :FLIP amide:sc= 1.03 F(o=1.2,f=2.2) USER MOD Set 4.1: A 65 LYS NZ :NH3+ -121:sc= -1.68! (180deg=-3.57!) USER MOD Set 4.2: A 68 SER OG : rot -56:sc= 1.43 USER MOD Single : A 1 PHE N :NH3+ -159:sc= 1.17 (180deg=0.213) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -2.51 K(o=-2.5,f=-5!) USER MOD Single : A 18 TYR OH : rot -15:sc= -1.07 USER MOD Single : A 20 THR OG1 : rot -63:sc= -1.71! USER MOD Single : A 23 TYR OH : rot 122:sc= -1.12! USER MOD Single : A 24 SER OG : rot 150:sc= -0.985 USER MOD Single : A 27 SER OG : rot -98:sc= 1.03 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.246 X(o=-0.25,f=-0.0032) USER MOD Single : A 30 ASN : amide:sc= -0.785 X(o=-0.79,f=-1.1) USER MOD Single : A 31 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.09) USER MOD Single : A 34 GLN : amide:sc= -2.79 K(o=-2.8,f=-5.2!) USER MOD Single : A 37 LYS NZ :NH3+ -150:sc= -0.27 (180deg=-0.925) USER MOD Single : A 44 GLN : amide:sc= -0.0435 K(o=-0.043,f=-1.2) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -112:sc= -8.68! (180deg=-9.75!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -3.21 K(o=-3.2,f=-7.2!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -125:sc= -1.21 (180deg=-3.28!) USER MOD Single : A 73 THR OG1 : rot 66:sc= -5.02! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -93:sc= -1.58! USER MOD Single : A 82 THR OG1 : rot -90:sc= -1.02 USER MOD Single : A 83 SER OG : rot -178:sc= -1.88! USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 87 ASN : amide:sc= -3.75 K(o=-3.8,f=-6.9) USER MOD Single : A 92 ASN : amide:sc= -0.0082 K(o=-0.0082,f=-1.5!) USER MOD Single : A 98 THR OG1 : rot -157:sc= -2.28! USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 HIS : no HD1:sc= -8.34! C(o=-8.3!,f=-11!) USER MOD Single : A 118 CYS SG : rot 180:sc= 0 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 7.165 14.511 34.157 1.00 0.00 N ATOM 2 CA PHE A 1 7.869 13.224 33.919 1.00 0.00 C ATOM 3 C PHE A 1 7.189 12.418 32.817 1.00 0.00 C ATOM 4 O PHE A 1 5.974 12.497 32.638 1.00 0.00 O ATOM 5 CB PHE A 1 7.880 12.426 35.224 1.00 0.00 C ATOM 6 CG PHE A 1 6.515 12.222 35.816 1.00 0.00 C ATOM 7 CD1 PHE A 1 5.862 13.262 36.458 1.00 0.00 C ATOM 8 CD2 PHE A 1 5.885 10.991 35.729 1.00 0.00 C ATOM 9 CE1 PHE A 1 4.605 13.077 37.003 1.00 0.00 C ATOM 10 CE2 PHE A 1 4.628 10.801 36.271 1.00 0.00 C ATOM 11 CZ PHE A 1 3.987 11.845 36.909 1.00 0.00 C ATOM 0 H1 PHE A 1 7.811 15.179 34.625 1.00 0.00 H new ATOM 0 H2 PHE A 1 6.854 14.910 33.248 1.00 0.00 H new ATOM 0 H3 PHE A 1 6.337 14.347 34.764 1.00 0.00 H new ATOM 0 HA PHE A 1 8.889 13.430 33.594 1.00 0.00 H new ATOM 0 HB2 PHE A 1 8.337 11.453 35.041 1.00 0.00 H new ATOM 0 HB3 PHE A 1 8.508 12.942 35.950 1.00 0.00 H new ATOM 0 HD1 PHE A 1 6.340 14.227 36.533 1.00 0.00 H new ATOM 0 HD2 PHE A 1 6.382 10.171 35.232 1.00 0.00 H new ATOM 0 HE1 PHE A 1 4.107 13.895 37.502 1.00 0.00 H new ATOM 0 HE2 PHE A 1 4.147 9.837 36.196 1.00 0.00 H new ATOM 0 HZ PHE A 1 3.005 11.698 37.333 1.00 0.00 H new ATOM 22 N ALA A 2 7.981 11.646 32.081 1.00 0.00 N ATOM 23 CA ALA A 2 7.455 10.826 30.996 1.00 0.00 C ATOM 24 C ALA A 2 7.977 9.397 31.086 1.00 0.00 C ATOM 25 O ALA A 2 8.903 9.017 30.368 1.00 0.00 O ATOM 26 CB ALA A 2 7.815 11.438 29.650 1.00 0.00 C ATOM 0 H ALA A 2 8.989 11.571 32.216 1.00 0.00 H new ATOM 0 HA ALA A 2 6.370 10.795 31.090 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.416 10.816 28.849 1.00 0.00 H new ATOM 0 HB2 ALA A 2 7.388 12.438 29.579 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.899 11.499 29.556 1.00 0.00 H new ATOM 32 N LYS A 3 7.378 8.608 31.971 1.00 0.00 N ATOM 33 CA LYS A 3 7.783 7.219 32.154 1.00 0.00 C ATOM 34 C LYS A 3 6.566 6.302 32.227 1.00 0.00 C ATOM 35 O LYS A 3 6.584 5.284 32.919 1.00 0.00 O ATOM 36 CB LYS A 3 8.622 7.073 33.425 1.00 0.00 C ATOM 37 CG LYS A 3 7.975 7.692 34.654 1.00 0.00 C ATOM 38 CD LYS A 3 7.207 6.657 35.460 1.00 0.00 C ATOM 39 CE LYS A 3 7.354 6.893 36.954 1.00 0.00 C ATOM 40 NZ LYS A 3 7.418 5.615 37.715 1.00 0.00 N ATOM 0 H LYS A 3 6.610 8.906 32.573 1.00 0.00 H new ATOM 0 HA LYS A 3 8.385 6.927 31.294 1.00 0.00 H new ATOM 0 HB2 LYS A 3 8.801 6.014 33.613 1.00 0.00 H new ATOM 0 HB3 LYS A 3 9.595 7.537 33.264 1.00 0.00 H new ATOM 0 HG2 LYS A 3 8.742 8.146 35.281 1.00 0.00 H new ATOM 0 HG3 LYS A 3 7.299 8.491 34.348 1.00 0.00 H new ATOM 0 HD2 LYS A 3 6.152 6.691 35.187 1.00 0.00 H new ATOM 0 HD3 LYS A 3 7.568 5.659 35.211 1.00 0.00 H new ATOM 0 HE2 LYS A 3 8.257 7.473 37.143 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.513 7.487 37.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.518 5.820 38.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 6.545 5.072 37.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 8.235 5.059 37.392 1.00 0.00 H new ATOM 54 N LEU A 4 5.510 6.671 31.509 1.00 0.00 N ATOM 55 CA LEU A 4 4.284 5.882 31.492 1.00 0.00 C ATOM 56 C LEU A 4 4.443 4.649 30.609 1.00 0.00 C ATOM 57 O LEU A 4 5.514 4.403 30.057 1.00 0.00 O ATOM 58 CB LEU A 4 3.112 6.732 30.995 1.00 0.00 C ATOM 59 CG LEU A 4 2.397 7.544 32.076 1.00 0.00 C ATOM 60 CD1 LEU A 4 1.684 6.621 33.053 1.00 0.00 C ATOM 61 CD2 LEU A 4 3.384 8.439 32.810 1.00 0.00 C ATOM 0 H LEU A 4 5.479 7.511 30.932 1.00 0.00 H new ATOM 0 HA LEU A 4 4.079 5.553 32.511 1.00 0.00 H new ATOM 0 HB2 LEU A 4 3.478 7.417 30.230 1.00 0.00 H new ATOM 0 HB3 LEU A 4 2.386 6.077 30.514 1.00 0.00 H new ATOM 0 HG LEU A 4 1.651 8.177 31.595 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.181 7.216 33.815 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.948 6.022 32.517 1.00 0.00 H new ATOM 0 HD13 LEU A 4 2.411 5.963 33.528 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.858 9.010 33.576 1.00 0.00 H new ATOM 0 HD22 LEU A 4 4.153 7.825 33.279 1.00 0.00 H new ATOM 0 HD23 LEU A 4 3.849 9.125 32.102 1.00 0.00 H new ATOM 73 N VAL A 5 3.368 3.877 30.481 1.00 0.00 N ATOM 74 CA VAL A 5 3.388 2.669 29.665 1.00 0.00 C ATOM 75 C VAL A 5 2.604 2.866 28.372 1.00 0.00 C ATOM 76 O VAL A 5 1.379 2.743 28.352 1.00 0.00 O ATOM 77 CB VAL A 5 2.804 1.466 30.427 1.00 0.00 C ATOM 78 CG1 VAL A 5 3.789 0.965 31.474 1.00 0.00 C ATOM 79 CG2 VAL A 5 1.475 1.834 31.070 1.00 0.00 C ATOM 0 H VAL A 5 2.473 4.067 30.932 1.00 0.00 H new ATOM 0 HA VAL A 5 4.432 2.466 29.427 1.00 0.00 H new ATOM 0 HB VAL A 5 2.627 0.661 29.714 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.358 0.114 32.002 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.714 0.658 30.986 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.002 1.763 32.185 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.078 0.971 31.604 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.625 2.656 31.770 1.00 0.00 H new ATOM 0 HG23 VAL A 5 0.769 2.139 30.297 1.00 0.00 H new ATOM 89 N ARG A 6 3.319 3.172 27.294 1.00 0.00 N ATOM 90 CA ARG A 6 2.689 3.386 25.995 1.00 0.00 C ATOM 91 C ARG A 6 3.360 2.536 24.919 1.00 0.00 C ATOM 92 O ARG A 6 4.556 2.254 24.995 1.00 0.00 O ATOM 93 CB ARG A 6 2.756 4.864 25.610 1.00 0.00 C ATOM 94 CG ARG A 6 2.158 5.793 26.654 1.00 0.00 C ATOM 95 CD ARG A 6 0.648 5.894 26.507 1.00 0.00 C ATOM 96 NE ARG A 6 0.255 6.997 25.633 1.00 0.00 N ATOM 97 CZ ARG A 6 0.278 8.277 25.998 1.00 0.00 C ATOM 98 NH1 ARG A 6 0.673 8.619 27.217 1.00 0.00 N ATOM 99 NH2 ARG A 6 -0.095 9.217 25.140 1.00 0.00 N ATOM 0 H ARG A 6 4.334 3.277 27.294 1.00 0.00 H new ATOM 0 HA ARG A 6 1.644 3.085 26.071 1.00 0.00 H new ATOM 0 HB2 ARG A 6 3.797 5.141 25.444 1.00 0.00 H new ATOM 0 HB3 ARG A 6 2.233 5.009 24.665 1.00 0.00 H new ATOM 0 HG2 ARG A 6 2.404 5.429 27.651 1.00 0.00 H new ATOM 0 HG3 ARG A 6 2.602 6.784 26.558 1.00 0.00 H new ATOM 0 HD2 ARG A 6 0.260 4.958 26.106 1.00 0.00 H new ATOM 0 HD3 ARG A 6 0.197 6.032 27.490 1.00 0.00 H new ATOM 0 HE ARG A 6 -0.055 6.773 24.687 1.00 0.00 H new ATOM 0 HH11 ARG A 6 0.961 7.900 27.880 1.00 0.00 H new ATOM 0 HH12 ARG A 6 0.689 9.601 27.491 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -0.399 8.959 24.201 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -0.078 10.198 25.419 1.00 0.00 H new ATOM 113 N PRO A 7 2.594 2.116 23.896 1.00 0.00 N ATOM 114 CA PRO A 7 3.121 1.294 22.802 1.00 0.00 C ATOM 115 C PRO A 7 4.361 1.912 22.159 1.00 0.00 C ATOM 116 O PRO A 7 4.558 3.126 22.212 1.00 0.00 O ATOM 117 CB PRO A 7 1.966 1.251 21.799 1.00 0.00 C ATOM 118 CG PRO A 7 0.744 1.481 22.619 1.00 0.00 C ATOM 119 CD PRO A 7 1.159 2.406 23.729 1.00 0.00 C ATOM 0 HA PRO A 7 3.438 0.311 23.149 1.00 0.00 H new ATOM 0 HB2 PRO A 7 2.079 2.018 21.032 1.00 0.00 H new ATOM 0 HB3 PRO A 7 1.923 0.291 21.285 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -0.051 1.923 22.019 1.00 0.00 H new ATOM 0 HG3 PRO A 7 0.358 0.542 23.017 1.00 0.00 H new ATOM 0 HD2 PRO A 7 0.988 3.450 23.467 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.600 2.211 24.644 1.00 0.00 H new ATOM 127 N PRO A 8 5.217 1.080 21.542 1.00 0.00 N ATOM 128 CA PRO A 8 6.442 1.549 20.889 1.00 0.00 C ATOM 129 C PRO A 8 6.160 2.285 19.584 1.00 0.00 C ATOM 130 O PRO A 8 6.738 3.339 19.316 1.00 0.00 O ATOM 131 CB PRO A 8 7.213 0.257 20.617 1.00 0.00 C ATOM 132 CG PRO A 8 6.161 -0.789 20.495 1.00 0.00 C ATOM 133 CD PRO A 8 5.058 -0.384 21.435 1.00 0.00 C ATOM 0 HA PRO A 8 6.984 2.265 21.506 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.804 0.333 19.705 1.00 0.00 H new ATOM 0 HB3 PRO A 8 7.905 0.030 21.428 1.00 0.00 H new ATOM 0 HG2 PRO A 8 5.795 -0.856 19.470 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.555 -1.771 20.757 1.00 0.00 H new ATOM 0 HD2 PRO A 8 4.077 -0.654 21.043 1.00 0.00 H new ATOM 0 HD3 PRO A 8 5.158 -0.871 22.405 1.00 0.00 H new ATOM 141 N VAL A 9 5.269 1.723 18.773 1.00 0.00 N ATOM 142 CA VAL A 9 4.912 2.327 17.493 1.00 0.00 C ATOM 143 C VAL A 9 3.413 2.582 17.400 1.00 0.00 C ATOM 144 O VAL A 9 2.848 2.600 16.308 1.00 0.00 O ATOM 145 CB VAL A 9 5.342 1.435 16.313 1.00 0.00 C ATOM 146 CG1 VAL A 9 6.857 1.426 16.174 1.00 0.00 C ATOM 147 CG2 VAL A 9 4.808 0.022 16.489 1.00 0.00 C ATOM 0 H VAL A 9 4.781 0.851 18.979 1.00 0.00 H new ATOM 0 HA VAL A 9 5.442 3.278 17.436 1.00 0.00 H new ATOM 0 HB VAL A 9 4.919 1.847 15.397 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.142 0.791 15.335 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.212 2.441 15.997 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.304 1.040 17.090 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.122 -0.593 15.646 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.199 -0.402 17.414 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.719 0.047 16.534 1.00 0.00 H new ATOM 157 N GLN A 10 2.774 2.781 18.553 1.00 0.00 N ATOM 158 CA GLN A 10 1.334 3.041 18.609 1.00 0.00 C ATOM 159 C GLN A 10 0.571 2.128 17.647 1.00 0.00 C ATOM 160 O GLN A 10 1.089 1.097 17.222 1.00 0.00 O ATOM 161 CB GLN A 10 1.051 4.514 18.296 1.00 0.00 C ATOM 162 CG GLN A 10 1.371 4.913 16.865 1.00 0.00 C ATOM 163 CD GLN A 10 2.790 5.421 16.705 1.00 0.00 C ATOM 164 OE1 GLN A 10 3.553 5.484 17.670 1.00 0.00 O ATOM 165 NE2 GLN A 10 3.153 5.787 15.481 1.00 0.00 N ATOM 0 H GLN A 10 3.232 2.767 19.464 1.00 0.00 H new ATOM 0 HA GLN A 10 0.986 2.824 19.619 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.001 4.722 18.494 1.00 0.00 H new ATOM 0 HB3 GLN A 10 1.632 5.138 18.975 1.00 0.00 H new ATOM 0 HG2 GLN A 10 1.220 4.055 16.210 1.00 0.00 H new ATOM 0 HG3 GLN A 10 0.674 5.686 16.543 1.00 0.00 H new ATOM 0 HE21 GLN A 10 2.489 5.718 14.710 1.00 0.00 H new ATOM 0 HE22 GLN A 10 4.096 6.137 15.312 1.00 0.00 H new ATOM 174 N ILE A 11 -0.659 2.506 17.309 1.00 0.00 N ATOM 175 CA ILE A 11 -1.475 1.711 16.400 1.00 0.00 C ATOM 176 C ILE A 11 -1.706 2.430 15.073 1.00 0.00 C ATOM 177 O ILE A 11 -2.342 1.890 14.169 1.00 0.00 O ATOM 178 CB ILE A 11 -2.827 1.349 17.034 1.00 0.00 C ATOM 179 CG1 ILE A 11 -3.634 0.421 16.118 1.00 0.00 C ATOM 180 CG2 ILE A 11 -3.613 2.611 17.347 1.00 0.00 C ATOM 181 CD1 ILE A 11 -2.846 -0.766 15.603 1.00 0.00 C ATOM 0 H ILE A 11 -1.110 3.355 17.650 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.921 0.793 16.203 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.637 0.815 17.965 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.506 0.058 16.662 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.004 0.996 15.269 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.569 2.342 17.796 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.046 3.229 18.043 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.788 3.168 16.427 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.483 -1.376 14.963 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.988 -0.413 15.031 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.499 -1.365 16.445 1.00 0.00 H new ATOM 193 N TYR A 12 -1.153 3.639 14.941 1.00 0.00 N ATOM 194 CA TYR A 12 -1.268 4.411 13.701 1.00 0.00 C ATOM 195 C TYR A 12 -2.703 4.408 13.179 1.00 0.00 C ATOM 196 O TYR A 12 -3.083 3.554 12.379 1.00 0.00 O ATOM 197 CB TYR A 12 -0.312 3.841 12.636 1.00 0.00 C ATOM 198 CG TYR A 12 0.120 2.415 12.917 1.00 0.00 C ATOM 199 CD1 TYR A 12 0.880 2.111 14.040 1.00 0.00 C ATOM 200 CD2 TYR A 12 -0.269 1.371 12.087 1.00 0.00 C ATOM 201 CE1 TYR A 12 1.242 0.813 14.329 1.00 0.00 C ATOM 202 CE2 TYR A 12 0.096 0.068 12.367 1.00 0.00 C ATOM 203 CZ TYR A 12 0.850 -0.207 13.489 1.00 0.00 C ATOM 204 OH TYR A 12 1.208 -1.504 13.774 1.00 0.00 O ATOM 0 H TYR A 12 -0.622 4.104 15.677 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.992 5.443 13.916 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.800 3.880 11.662 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.572 4.475 12.575 1.00 0.00 H new ATOM 0 HD1 TYR A 12 1.193 2.907 14.699 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -0.865 1.581 11.211 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.830 0.596 15.209 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -0.208 -0.733 11.709 1.00 0.00 H new ATOM 0 HH TYR A 12 0.666 -2.119 13.237 1.00 0.00 H new ATOM 214 N GLY A 13 -3.496 5.370 13.644 1.00 0.00 N ATOM 215 CA GLY A 13 -4.880 5.460 13.219 1.00 0.00 C ATOM 216 C GLY A 13 -5.025 5.991 11.806 1.00 0.00 C ATOM 217 O GLY A 13 -5.591 5.321 10.941 1.00 0.00 O ATOM 0 H GLY A 13 -3.204 6.088 14.307 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -5.340 4.474 13.281 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.425 6.109 13.904 1.00 0.00 H new ATOM 221 N ILE A 14 -4.520 7.198 11.571 1.00 0.00 N ATOM 222 CA ILE A 14 -4.603 7.815 10.252 1.00 0.00 C ATOM 223 C ILE A 14 -3.935 6.945 9.193 1.00 0.00 C ATOM 224 O ILE A 14 -4.501 6.708 8.126 1.00 0.00 O ATOM 225 CB ILE A 14 -3.967 9.224 10.248 1.00 0.00 C ATOM 226 CG1 ILE A 14 -4.295 9.960 8.943 1.00 0.00 C ATOM 227 CG2 ILE A 14 -2.461 9.139 10.464 1.00 0.00 C ATOM 228 CD1 ILE A 14 -3.516 9.471 7.739 1.00 0.00 C ATOM 0 H ILE A 14 -4.050 7.767 12.275 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.661 7.911 10.010 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.392 9.794 11.074 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.361 9.856 8.739 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.099 11.023 9.080 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.035 10.142 10.457 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.257 8.665 11.424 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.012 8.549 9.665 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.808 10.044 6.859 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.449 9.601 7.919 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.730 8.415 7.572 1.00 0.00 H new ATOM 240 N GLU A 15 -2.734 6.464 9.493 1.00 0.00 N ATOM 241 CA GLU A 15 -2.003 5.614 8.562 1.00 0.00 C ATOM 242 C GLU A 15 -2.659 4.243 8.473 1.00 0.00 C ATOM 243 O GLU A 15 -2.685 3.623 7.409 1.00 0.00 O ATOM 244 CB GLU A 15 -0.542 5.477 8.995 1.00 0.00 C ATOM 245 CG GLU A 15 0.406 6.382 8.227 1.00 0.00 C ATOM 246 CD GLU A 15 1.414 7.071 9.126 1.00 0.00 C ATOM 247 OE1 GLU A 15 2.171 6.362 9.822 1.00 0.00 O ATOM 248 OE2 GLU A 15 1.445 8.319 9.136 1.00 0.00 O ATOM 0 H GLU A 15 -2.248 6.647 10.371 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.029 6.078 7.576 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.464 5.702 10.059 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.228 4.441 8.864 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.936 5.794 7.478 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.172 7.135 7.691 1.00 0.00 H new ATOM 255 N GLY A 16 -3.200 3.782 9.595 1.00 0.00 N ATOM 256 CA GLY A 16 -3.862 2.494 9.621 1.00 0.00 C ATOM 257 C GLY A 16 -5.187 2.528 8.889 1.00 0.00 C ATOM 258 O GLY A 16 -5.638 1.512 8.358 1.00 0.00 O ATOM 0 H GLY A 16 -3.191 4.278 10.486 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.215 1.744 9.167 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.026 2.190 10.655 1.00 0.00 H new ATOM 262 N ARG A 17 -5.811 3.703 8.856 1.00 0.00 N ATOM 263 CA ARG A 17 -7.091 3.870 8.179 1.00 0.00 C ATOM 264 C ARG A 17 -6.921 3.780 6.667 1.00 0.00 C ATOM 265 O ARG A 17 -7.858 3.431 5.951 1.00 0.00 O ATOM 266 CB ARG A 17 -7.721 5.212 8.555 1.00 0.00 C ATOM 267 CG ARG A 17 -9.084 5.443 7.924 1.00 0.00 C ATOM 268 CD ARG A 17 -9.491 6.905 7.995 1.00 0.00 C ATOM 269 NE ARG A 17 -10.212 7.332 6.798 1.00 0.00 N ATOM 270 CZ ARG A 17 -10.386 8.605 6.452 1.00 0.00 C ATOM 271 NH1 ARG A 17 -9.894 9.579 7.207 1.00 0.00 N ATOM 272 NH2 ARG A 17 -11.054 8.906 5.346 1.00 0.00 N ATOM 0 H ARG A 17 -5.450 4.552 9.290 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.752 3.065 8.501 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.818 5.267 9.639 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.050 6.016 8.254 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.063 5.120 6.883 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.830 4.832 8.432 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.118 7.064 8.872 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.602 7.523 8.122 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.605 6.612 6.192 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -9.379 9.354 8.058 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.031 10.553 6.936 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.434 8.162 4.761 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.188 9.882 5.080 1.00 0.00 H new ATOM 286 N TYR A 18 -5.720 4.088 6.184 1.00 0.00 N ATOM 287 CA TYR A 18 -5.439 4.029 4.754 1.00 0.00 C ATOM 288 C TYR A 18 -5.739 2.639 4.209 1.00 0.00 C ATOM 289 O TYR A 18 -6.440 2.489 3.208 1.00 0.00 O ATOM 290 CB TYR A 18 -3.976 4.389 4.484 1.00 0.00 C ATOM 291 CG TYR A 18 -3.778 5.784 3.935 1.00 0.00 C ATOM 292 CD1 TYR A 18 -4.195 6.899 4.650 1.00 0.00 C ATOM 293 CD2 TYR A 18 -3.169 5.984 2.703 1.00 0.00 C ATOM 294 CE1 TYR A 18 -4.012 8.174 4.152 1.00 0.00 C ATOM 295 CE2 TYR A 18 -2.982 7.256 2.198 1.00 0.00 C ATOM 296 CZ TYR A 18 -3.405 8.348 2.927 1.00 0.00 C ATOM 297 OH TYR A 18 -3.220 9.617 2.428 1.00 0.00 O ATOM 0 H TYR A 18 -4.930 4.380 6.759 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.080 4.751 4.248 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.411 4.291 5.411 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.559 3.670 3.779 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -4.670 6.767 5.611 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -2.836 5.131 2.130 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.343 9.031 4.720 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.507 7.395 1.238 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.774 10.250 2.930 1.00 0.00 H new ATOM 307 N ALA A 19 -5.207 1.627 4.881 1.00 0.00 N ATOM 308 CA ALA A 19 -5.421 0.248 4.473 1.00 0.00 C ATOM 309 C ALA A 19 -6.869 -0.158 4.696 1.00 0.00 C ATOM 310 O ALA A 19 -7.470 -0.839 3.865 1.00 0.00 O ATOM 311 CB ALA A 19 -4.486 -0.680 5.233 1.00 0.00 C ATOM 0 H ALA A 19 -4.624 1.737 5.711 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.202 0.166 3.408 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.658 -1.709 4.917 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.452 -0.405 5.025 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.677 -0.593 6.303 1.00 0.00 H new ATOM 317 N THR A 20 -7.429 0.268 5.822 1.00 0.00 N ATOM 318 CA THR A 20 -8.808 -0.052 6.147 1.00 0.00 C ATOM 319 C THR A 20 -9.769 0.700 5.238 1.00 0.00 C ATOM 320 O THR A 20 -10.909 0.279 5.049 1.00 0.00 O ATOM 321 CB THR A 20 -9.107 0.254 7.613 1.00 0.00 C ATOM 322 OG1 THR A 20 -8.041 0.971 8.207 1.00 0.00 O ATOM 323 CG2 THR A 20 -9.332 -0.994 8.435 1.00 0.00 C ATOM 0 H THR A 20 -6.949 0.834 6.522 1.00 0.00 H new ATOM 0 HA THR A 20 -8.951 -1.120 5.985 1.00 0.00 H new ATOM 0 HB THR A 20 -10.021 0.848 7.609 1.00 0.00 H new ATOM 0 HG1 THR A 20 -7.232 0.418 8.202 1.00 0.00 H new ATOM 0 HG21 THR A 20 -9.540 -0.716 9.468 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.179 -1.548 8.030 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.439 -1.619 8.400 1.00 0.00 H new ATOM 331 N ALA A 21 -9.308 1.806 4.663 1.00 0.00 N ATOM 332 CA ALA A 21 -10.145 2.587 3.765 1.00 0.00 C ATOM 333 C ALA A 21 -9.971 2.129 2.323 1.00 0.00 C ATOM 334 O ALA A 21 -10.626 2.641 1.415 1.00 0.00 O ATOM 335 CB ALA A 21 -9.841 4.071 3.901 1.00 0.00 C ATOM 0 H ALA A 21 -8.368 2.178 4.802 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.186 2.425 4.046 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.478 4.637 3.221 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.032 4.389 4.926 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.795 4.252 3.654 1.00 0.00 H new ATOM 341 N LEU A 22 -9.110 1.136 2.122 1.00 0.00 N ATOM 342 CA LEU A 22 -8.881 0.583 0.797 1.00 0.00 C ATOM 343 C LEU A 22 -9.348 -0.850 0.793 1.00 0.00 C ATOM 344 O LEU A 22 -10.031 -1.297 -0.129 1.00 0.00 O ATOM 345 CB LEU A 22 -7.404 0.668 0.408 1.00 0.00 C ATOM 346 CG LEU A 22 -7.030 -0.083 -0.874 1.00 0.00 C ATOM 347 CD1 LEU A 22 -6.791 0.891 -2.016 1.00 0.00 C ATOM 348 CD2 LEU A 22 -5.804 -0.954 -0.644 1.00 0.00 C ATOM 0 H LEU A 22 -8.560 0.699 2.862 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.441 1.161 0.062 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.135 1.717 0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.804 0.276 1.229 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.863 -0.730 -1.148 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.527 0.337 -2.917 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.698 1.468 -2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.977 1.567 -1.753 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.553 -1.480 -1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.964 -0.328 -0.343 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.015 -1.679 0.142 1.00 0.00 H new ATOM 360 N TYR A 23 -9.006 -1.558 1.854 1.00 0.00 N ATOM 361 CA TYR A 23 -9.422 -2.922 1.999 1.00 0.00 C ATOM 362 C TYR A 23 -10.890 -2.953 2.426 1.00 0.00 C ATOM 363 O TYR A 23 -11.563 -3.965 2.258 1.00 0.00 O ATOM 364 CB TYR A 23 -8.516 -3.645 3.001 1.00 0.00 C ATOM 365 CG TYR A 23 -9.217 -4.110 4.250 1.00 0.00 C ATOM 366 CD1 TYR A 23 -10.162 -5.121 4.192 1.00 0.00 C ATOM 367 CD2 TYR A 23 -8.938 -3.537 5.479 1.00 0.00 C ATOM 368 CE1 TYR A 23 -10.817 -5.549 5.321 1.00 0.00 C ATOM 369 CE2 TYR A 23 -9.585 -3.956 6.616 1.00 0.00 C ATOM 370 CZ TYR A 23 -10.527 -4.961 6.537 1.00 0.00 C ATOM 371 OH TYR A 23 -11.175 -5.378 7.674 1.00 0.00 O ATOM 0 H TYR A 23 -8.440 -1.201 2.624 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.332 -3.447 1.048 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.066 -4.507 2.509 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.701 -2.978 3.283 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -10.388 -5.581 3.242 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.202 -2.750 5.545 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.552 -6.338 5.259 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.357 -3.500 7.568 1.00 0.00 H new ATOM 0 HH TYR A 23 -10.516 -5.679 8.334 1.00 0.00 H new ATOM 381 N SER A 24 -11.399 -1.828 2.954 1.00 0.00 N ATOM 382 CA SER A 24 -12.799 -1.761 3.358 1.00 0.00 C ATOM 383 C SER A 24 -13.670 -2.270 2.218 1.00 0.00 C ATOM 384 O SER A 24 -14.666 -2.960 2.433 1.00 0.00 O ATOM 385 CB SER A 24 -13.192 -0.332 3.732 1.00 0.00 C ATOM 386 OG SER A 24 -12.394 0.614 3.042 1.00 0.00 O ATOM 0 H SER A 24 -10.868 -0.971 3.106 1.00 0.00 H new ATOM 0 HA SER A 24 -12.946 -2.386 4.239 1.00 0.00 H new ATOM 0 HB2 SER A 24 -14.243 -0.167 3.496 1.00 0.00 H new ATOM 0 HB3 SER A 24 -13.081 -0.191 4.807 1.00 0.00 H new ATOM 0 HG SER A 24 -12.911 1.434 2.896 1.00 0.00 H new ATOM 392 N ALA A 25 -13.246 -1.953 0.998 1.00 0.00 N ATOM 393 CA ALA A 25 -13.938 -2.409 -0.195 1.00 0.00 C ATOM 394 C ALA A 25 -13.523 -3.841 -0.487 1.00 0.00 C ATOM 395 O ALA A 25 -14.319 -4.651 -0.963 1.00 0.00 O ATOM 396 CB ALA A 25 -13.625 -1.504 -1.377 1.00 0.00 C ATOM 0 H ALA A 25 -12.423 -1.380 0.813 1.00 0.00 H new ATOM 0 HA ALA A 25 -15.015 -2.371 -0.028 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -14.153 -1.863 -2.260 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -13.945 -0.487 -1.151 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.552 -1.513 -1.568 1.00 0.00 H new ATOM 402 N ALA A 26 -12.267 -4.149 -0.165 1.00 0.00 N ATOM 403 CA ALA A 26 -11.735 -5.489 -0.357 1.00 0.00 C ATOM 404 C ALA A 26 -12.361 -6.464 0.635 1.00 0.00 C ATOM 405 O ALA A 26 -12.317 -7.676 0.438 1.00 0.00 O ATOM 406 CB ALA A 26 -10.223 -5.480 -0.197 1.00 0.00 C ATOM 0 H ALA A 26 -11.602 -3.485 0.230 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.983 -5.817 -1.367 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.836 -6.488 -0.343 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.783 -4.812 -0.937 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.965 -5.133 0.804 1.00 0.00 H new ATOM 412 N SER A 27 -12.945 -5.923 1.704 1.00 0.00 N ATOM 413 CA SER A 27 -13.583 -6.742 2.726 1.00 0.00 C ATOM 414 C SER A 27 -14.894 -7.311 2.202 1.00 0.00 C ATOM 415 O SER A 27 -15.158 -8.507 2.327 1.00 0.00 O ATOM 416 CB SER A 27 -13.835 -5.918 3.989 1.00 0.00 C ATOM 417 OG SER A 27 -15.016 -5.143 3.868 1.00 0.00 O ATOM 0 H SER A 27 -12.988 -4.920 1.882 1.00 0.00 H new ATOM 0 HA SER A 27 -12.916 -7.567 2.975 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.919 -6.582 4.849 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.984 -5.263 4.175 1.00 0.00 H new ATOM 0 HG SER A 27 -14.782 -4.228 3.605 1.00 0.00 H new ATOM 423 N LYS A 28 -15.709 -6.447 1.602 1.00 0.00 N ATOM 424 CA LYS A 28 -16.988 -6.869 1.042 1.00 0.00 C ATOM 425 C LYS A 28 -16.780 -8.031 0.080 1.00 0.00 C ATOM 426 O LYS A 28 -17.645 -8.892 -0.074 1.00 0.00 O ATOM 427 CB LYS A 28 -17.667 -5.703 0.320 1.00 0.00 C ATOM 428 CG LYS A 28 -19.032 -6.051 -0.250 1.00 0.00 C ATOM 429 CD LYS A 28 -19.615 -4.896 -1.047 1.00 0.00 C ATOM 430 CE LYS A 28 -20.522 -4.030 -0.189 1.00 0.00 C ATOM 431 NZ LYS A 28 -20.934 -2.786 -0.896 1.00 0.00 N ATOM 0 H LYS A 28 -15.506 -5.453 1.492 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.634 -7.196 1.857 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -17.774 -4.870 1.015 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -17.021 -5.362 -0.489 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -18.947 -6.929 -0.890 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -19.710 -6.313 0.562 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -18.807 -4.288 -1.453 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -20.178 -5.285 -1.895 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -21.409 -4.599 0.091 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -20.006 -3.769 0.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -21.552 -2.223 -0.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -20.090 -2.230 -1.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -21.449 -3.035 -1.765 1.00 0.00 H new ATOM 445 N GLN A 29 -15.612 -8.051 -0.556 1.00 0.00 N ATOM 446 CA GLN A 29 -15.267 -9.109 -1.493 1.00 0.00 C ATOM 447 C GLN A 29 -14.534 -10.233 -0.771 1.00 0.00 C ATOM 448 O GLN A 29 -14.888 -11.402 -0.916 1.00 0.00 O ATOM 449 CB GLN A 29 -14.397 -8.557 -2.625 1.00 0.00 C ATOM 450 CG GLN A 29 -14.662 -9.215 -3.970 1.00 0.00 C ATOM 451 CD GLN A 29 -14.016 -8.466 -5.120 1.00 0.00 C ATOM 452 OE1 GLN A 29 -13.264 -9.042 -5.907 1.00 0.00 O ATOM 453 NE2 GLN A 29 -14.309 -7.175 -5.224 1.00 0.00 N ATOM 0 H GLN A 29 -14.888 -7.343 -0.437 1.00 0.00 H new ATOM 0 HA GLN A 29 -16.187 -9.506 -1.922 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.568 -7.484 -2.714 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.347 -8.691 -2.364 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.287 -10.238 -3.951 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.738 -9.273 -4.137 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -14.937 -6.739 -4.549 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -13.906 -6.620 -5.979 1.00 0.00 H new ATOM 462 N ASN A 30 -13.505 -9.858 0.001 1.00 0.00 N ATOM 463 CA ASN A 30 -12.685 -10.805 0.765 1.00 0.00 C ATOM 464 C ASN A 30 -11.308 -10.913 0.139 1.00 0.00 C ATOM 465 O ASN A 30 -10.668 -11.964 0.181 1.00 0.00 O ATOM 466 CB ASN A 30 -13.329 -12.195 0.853 1.00 0.00 C ATOM 467 CG ASN A 30 -12.652 -13.081 1.881 1.00 0.00 C ATOM 468 OD1 ASN A 30 -11.728 -13.828 1.562 1.00 0.00 O ATOM 469 ND2 ASN A 30 -13.112 -13.001 3.125 1.00 0.00 N ATOM 0 H ASN A 30 -13.218 -8.886 0.113 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.603 -10.420 1.782 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -14.384 -12.089 1.107 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.283 -12.676 -0.124 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.697 -13.573 3.860 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.881 -12.367 3.345 1.00 0.00 H new ATOM 476 N LYS A 31 -10.861 -9.811 -0.450 1.00 0.00 N ATOM 477 CA LYS A 31 -9.564 -9.765 -1.096 1.00 0.00 C ATOM 478 C LYS A 31 -8.475 -9.328 -0.122 1.00 0.00 C ATOM 479 O LYS A 31 -7.334 -9.116 -0.527 1.00 0.00 O ATOM 480 CB LYS A 31 -9.608 -8.822 -2.298 1.00 0.00 C ATOM 481 CG LYS A 31 -10.295 -9.424 -3.515 1.00 0.00 C ATOM 482 CD LYS A 31 -9.287 -9.889 -4.553 1.00 0.00 C ATOM 483 CE LYS A 31 -9.713 -11.200 -5.195 1.00 0.00 C ATOM 484 NZ LYS A 31 -9.149 -12.378 -4.480 1.00 0.00 N ATOM 0 H LYS A 31 -11.383 -8.936 -0.491 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.322 -10.771 -1.440 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.127 -7.907 -2.013 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.590 -8.541 -2.567 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.914 -10.266 -3.205 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.962 -8.685 -3.960 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.177 -9.125 -5.322 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.311 -10.013 -4.084 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.801 -11.265 -5.200 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.388 -11.217 -6.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.652 -13.238 -4.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.139 -12.472 -4.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.261 -12.248 -3.454 1.00 0.00 H new ATOM 498 N LEU A 32 -8.820 -9.202 1.167 1.00 0.00 N ATOM 499 CA LEU A 32 -7.850 -8.804 2.181 1.00 0.00 C ATOM 500 C LEU A 32 -6.526 -9.532 1.977 1.00 0.00 C ATOM 501 O LEU A 32 -5.462 -9.000 2.278 1.00 0.00 O ATOM 502 CB LEU A 32 -8.399 -9.094 3.571 1.00 0.00 C ATOM 503 CG LEU A 32 -9.232 -7.956 4.156 1.00 0.00 C ATOM 504 CD1 LEU A 32 -10.568 -8.466 4.669 1.00 0.00 C ATOM 505 CD2 LEU A 32 -8.460 -7.235 5.253 1.00 0.00 C ATOM 0 H LEU A 32 -9.760 -9.370 1.525 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.671 -7.733 2.085 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.011 -9.995 3.529 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.567 -9.305 4.243 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.436 -7.240 3.360 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.141 -7.635 5.080 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.124 -8.919 3.848 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.399 -9.210 5.447 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.071 -6.428 5.657 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.216 -7.939 6.049 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.540 -6.822 4.839 1.00 0.00 H new ATOM 517 N GLU A 33 -6.605 -10.747 1.445 1.00 0.00 N ATOM 518 CA GLU A 33 -5.411 -11.541 1.180 1.00 0.00 C ATOM 519 C GLU A 33 -4.613 -10.925 0.034 1.00 0.00 C ATOM 520 O GLU A 33 -3.388 -10.819 0.099 1.00 0.00 O ATOM 521 CB GLU A 33 -5.794 -12.982 0.836 1.00 0.00 C ATOM 522 CG GLU A 33 -4.615 -13.941 0.835 1.00 0.00 C ATOM 523 CD GLU A 33 -4.680 -14.943 -0.300 1.00 0.00 C ATOM 524 OE1 GLU A 33 -5.007 -14.535 -1.435 1.00 0.00 O ATOM 525 OE2 GLU A 33 -4.404 -16.136 -0.056 1.00 0.00 O ATOM 0 H GLU A 33 -7.481 -11.203 1.189 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.793 -11.548 2.078 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.536 -13.333 1.553 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.266 -12.999 -0.146 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.688 -13.372 0.760 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.585 -14.475 1.785 1.00 0.00 H new ATOM 532 N GLN A 34 -5.324 -10.506 -1.009 1.00 0.00 N ATOM 533 CA GLN A 34 -4.701 -9.883 -2.171 1.00 0.00 C ATOM 534 C GLN A 34 -4.290 -8.445 -1.864 1.00 0.00 C ATOM 535 O GLN A 34 -3.482 -7.855 -2.581 1.00 0.00 O ATOM 536 CB GLN A 34 -5.659 -9.910 -3.365 1.00 0.00 C ATOM 537 CG GLN A 34 -5.318 -10.978 -4.393 1.00 0.00 C ATOM 538 CD GLN A 34 -4.997 -10.398 -5.756 1.00 0.00 C ATOM 539 OE1 GLN A 34 -5.801 -10.483 -6.685 1.00 0.00 O ATOM 540 NE2 GLN A 34 -3.816 -9.804 -5.884 1.00 0.00 N ATOM 0 H GLN A 34 -6.339 -10.588 -1.072 1.00 0.00 H new ATOM 0 HA GLN A 34 -3.805 -10.451 -2.420 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -6.674 -10.076 -3.003 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.650 -8.934 -3.850 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.465 -11.557 -4.039 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.156 -11.669 -4.485 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.180 -9.756 -5.088 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.545 -9.396 -6.778 1.00 0.00 H new ATOM 549 N VAL A 35 -4.850 -7.886 -0.795 1.00 0.00 N ATOM 550 CA VAL A 35 -4.539 -6.517 -0.397 1.00 0.00 C ATOM 551 C VAL A 35 -3.577 -6.497 0.789 1.00 0.00 C ATOM 552 O VAL A 35 -2.900 -5.498 1.034 1.00 0.00 O ATOM 553 CB VAL A 35 -5.813 -5.718 -0.021 1.00 0.00 C ATOM 554 CG1 VAL A 35 -5.734 -4.306 -0.576 1.00 0.00 C ATOM 555 CG2 VAL A 35 -7.090 -6.418 -0.501 1.00 0.00 C ATOM 0 H VAL A 35 -5.521 -8.359 -0.190 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.071 -6.043 -1.260 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.861 -5.668 1.067 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.636 -3.757 -0.304 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.862 -3.800 -0.161 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.648 -4.346 -1.662 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.959 -5.825 -0.217 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.061 -6.523 -1.586 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.159 -7.404 -0.042 1.00 0.00 H new ATOM 565 N GLU A 36 -3.516 -7.608 1.513 1.00 0.00 N ATOM 566 CA GLU A 36 -2.630 -7.728 2.664 1.00 0.00 C ATOM 567 C GLU A 36 -1.287 -8.271 2.219 1.00 0.00 C ATOM 568 O GLU A 36 -0.235 -7.819 2.670 1.00 0.00 O ATOM 569 CB GLU A 36 -3.233 -8.653 3.724 1.00 0.00 C ATOM 570 CG GLU A 36 -2.426 -8.709 5.011 1.00 0.00 C ATOM 571 CD GLU A 36 -1.578 -9.961 5.112 1.00 0.00 C ATOM 572 OE1 GLU A 36 -0.991 -10.366 4.086 1.00 0.00 O ATOM 573 OE2 GLU A 36 -1.499 -10.538 6.218 1.00 0.00 O ATOM 0 H GLU A 36 -4.072 -8.442 1.322 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.500 -6.739 3.103 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.245 -8.318 3.953 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.315 -9.659 3.312 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.781 -7.832 5.070 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.104 -8.664 5.863 1.00 0.00 H new ATOM 580 N LYS A 37 -1.334 -9.236 1.309 1.00 0.00 N ATOM 581 CA LYS A 37 -0.124 -9.834 0.779 1.00 0.00 C ATOM 582 C LYS A 37 0.576 -8.836 -0.118 1.00 0.00 C ATOM 583 O LYS A 37 1.805 -8.763 -0.143 1.00 0.00 O ATOM 584 CB LYS A 37 -0.444 -11.115 0.007 1.00 0.00 C ATOM 585 CG LYS A 37 0.708 -12.105 -0.032 1.00 0.00 C ATOM 586 CD LYS A 37 1.544 -11.937 -1.290 1.00 0.00 C ATOM 587 CE LYS A 37 2.124 -13.263 -1.755 1.00 0.00 C ATOM 588 NZ LYS A 37 3.484 -13.100 -2.341 1.00 0.00 N ATOM 0 H LYS A 37 -2.198 -9.618 0.925 1.00 0.00 H new ATOM 0 HA LYS A 37 0.533 -10.099 1.607 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.310 -11.596 0.461 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.723 -10.854 -1.014 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.338 -11.966 0.846 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.317 -13.122 0.014 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.929 -11.510 -2.082 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.353 -11.232 -1.099 1.00 0.00 H new ATOM 0 HE2 LYS A 37 2.172 -13.953 -0.913 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.461 -13.709 -2.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 3.639 -13.829 -3.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.565 -12.158 -2.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.199 -13.199 -1.592 1.00 0.00 H new ATOM 602 N GLU A 38 -0.211 -8.041 -0.837 1.00 0.00 N ATOM 603 CA GLU A 38 0.355 -7.030 -1.702 1.00 0.00 C ATOM 604 C GLU A 38 0.948 -5.915 -0.854 1.00 0.00 C ATOM 605 O GLU A 38 2.085 -5.497 -1.066 1.00 0.00 O ATOM 606 CB GLU A 38 -0.716 -6.478 -2.637 1.00 0.00 C ATOM 607 CG GLU A 38 -0.747 -7.157 -3.997 1.00 0.00 C ATOM 608 CD GLU A 38 -0.840 -8.667 -3.892 1.00 0.00 C ATOM 609 OE1 GLU A 38 0.150 -9.295 -3.462 1.00 0.00 O ATOM 610 OE2 GLU A 38 -1.904 -9.221 -4.239 1.00 0.00 O ATOM 0 H GLU A 38 -1.230 -8.082 -0.834 1.00 0.00 H new ATOM 0 HA GLU A 38 1.144 -7.473 -2.310 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.691 -6.588 -2.163 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.548 -5.410 -2.777 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.598 -6.783 -4.567 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.151 -6.890 -4.553 1.00 0.00 H new ATOM 617 N LEU A 39 0.174 -5.447 0.123 1.00 0.00 N ATOM 618 CA LEU A 39 0.624 -4.386 1.016 1.00 0.00 C ATOM 619 C LEU A 39 2.007 -4.703 1.578 1.00 0.00 C ATOM 620 O LEU A 39 2.829 -3.805 1.767 1.00 0.00 O ATOM 621 CB LEU A 39 -0.376 -4.191 2.158 1.00 0.00 C ATOM 622 CG LEU A 39 -1.236 -2.929 2.052 1.00 0.00 C ATOM 623 CD1 LEU A 39 -2.641 -3.193 2.570 1.00 0.00 C ATOM 624 CD2 LEU A 39 -0.591 -1.781 2.814 1.00 0.00 C ATOM 0 H LEU A 39 -0.768 -5.787 0.315 1.00 0.00 H new ATOM 0 HA LEU A 39 0.688 -3.462 0.442 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.034 -5.059 2.198 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.171 -4.162 3.100 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.307 -2.648 1.001 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.236 -2.284 2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.103 -3.985 1.981 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.592 -3.499 3.615 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.215 -0.891 2.729 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.489 -2.053 3.865 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.394 -1.575 2.396 1.00 0.00 H new ATOM 636 N LEU A 40 2.264 -5.983 1.831 1.00 0.00 N ATOM 637 CA LEU A 40 3.557 -6.402 2.357 1.00 0.00 C ATOM 638 C LEU A 40 4.667 -6.107 1.353 1.00 0.00 C ATOM 639 O LEU A 40 5.845 -6.060 1.709 1.00 0.00 O ATOM 640 CB LEU A 40 3.537 -7.894 2.696 1.00 0.00 C ATOM 641 CG LEU A 40 4.426 -8.303 3.872 1.00 0.00 C ATOM 642 CD1 LEU A 40 3.671 -8.159 5.185 1.00 0.00 C ATOM 643 CD2 LEU A 40 4.922 -9.730 3.694 1.00 0.00 C ATOM 0 H LEU A 40 1.599 -6.742 1.681 1.00 0.00 H new ATOM 0 HA LEU A 40 3.754 -5.837 3.268 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.511 -8.187 2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.846 -8.456 1.814 1.00 0.00 H new ATOM 0 HG LEU A 40 5.291 -7.640 3.898 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.318 -8.454 6.011 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.365 -7.121 5.317 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.788 -8.798 5.169 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.553 -10.004 4.540 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.070 -10.408 3.642 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.499 -9.802 2.772 1.00 0.00 H new ATOM 655 N ARG A 41 4.283 -5.906 0.094 1.00 0.00 N ATOM 656 CA ARG A 41 5.240 -5.613 -0.962 1.00 0.00 C ATOM 657 C ARG A 41 5.697 -4.160 -0.893 1.00 0.00 C ATOM 658 O ARG A 41 6.891 -3.873 -0.975 1.00 0.00 O ATOM 659 CB ARG A 41 4.627 -5.912 -2.334 1.00 0.00 C ATOM 660 CG ARG A 41 5.655 -6.151 -3.433 1.00 0.00 C ATOM 661 CD ARG A 41 6.756 -7.098 -2.980 1.00 0.00 C ATOM 662 NE ARG A 41 7.348 -7.831 -4.097 1.00 0.00 N ATOM 663 CZ ARG A 41 6.875 -8.985 -4.563 1.00 0.00 C ATOM 664 NH1 ARG A 41 5.795 -9.539 -4.023 1.00 0.00 N ATOM 665 NH2 ARG A 41 7.482 -9.588 -5.576 1.00 0.00 N ATOM 0 H ARG A 41 3.312 -5.942 -0.217 1.00 0.00 H new ATOM 0 HA ARG A 41 6.111 -6.252 -0.819 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.988 -6.791 -2.251 1.00 0.00 H new ATOM 0 HB3 ARG A 41 3.987 -5.079 -2.624 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.159 -6.564 -4.311 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.094 -5.200 -3.733 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.533 -6.531 -2.468 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.350 -7.806 -2.258 1.00 0.00 H new ATOM 0 HE ARG A 41 8.173 -7.435 -4.547 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.321 -9.080 -3.245 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.440 -10.423 -4.386 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.310 -9.168 -5.997 1.00 0.00 H new ATOM 0 HH22 ARG A 41 7.121 -10.472 -5.934 1.00 0.00 H new ATOM 679 N VAL A 42 4.745 -3.244 -0.731 1.00 0.00 N ATOM 680 CA VAL A 42 5.068 -1.826 -0.641 1.00 0.00 C ATOM 681 C VAL A 42 5.963 -1.554 0.563 1.00 0.00 C ATOM 682 O VAL A 42 6.730 -0.591 0.573 1.00 0.00 O ATOM 683 CB VAL A 42 3.799 -0.954 -0.537 1.00 0.00 C ATOM 684 CG1 VAL A 42 4.162 0.522 -0.576 1.00 0.00 C ATOM 685 CG2 VAL A 42 2.818 -1.294 -1.649 1.00 0.00 C ATOM 0 H VAL A 42 3.750 -3.458 -0.660 1.00 0.00 H new ATOM 0 HA VAL A 42 5.595 -1.561 -1.558 1.00 0.00 H new ATOM 0 HB VAL A 42 3.317 -1.165 0.418 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.255 1.122 -0.502 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.822 0.757 0.259 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.670 0.747 -1.514 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.931 -0.667 -1.556 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.288 -1.116 -2.616 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.531 -2.343 -1.573 1.00 0.00 H new ATOM 695 N GLY A 43 5.865 -2.412 1.576 1.00 0.00 N ATOM 696 CA GLY A 43 6.677 -2.248 2.767 1.00 0.00 C ATOM 697 C GLY A 43 8.149 -2.494 2.498 1.00 0.00 C ATOM 698 O GLY A 43 9.003 -1.714 2.918 1.00 0.00 O ATOM 0 H GLY A 43 5.238 -3.216 1.592 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.545 -1.239 3.158 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.331 -2.936 3.538 1.00 0.00 H new ATOM 702 N GLN A 44 8.445 -3.581 1.792 1.00 0.00 N ATOM 703 CA GLN A 44 9.823 -3.926 1.463 1.00 0.00 C ATOM 704 C GLN A 44 10.435 -2.875 0.545 1.00 0.00 C ATOM 705 O GLN A 44 11.598 -2.502 0.696 1.00 0.00 O ATOM 706 CB GLN A 44 9.883 -5.302 0.797 1.00 0.00 C ATOM 707 CG GLN A 44 10.042 -6.449 1.782 1.00 0.00 C ATOM 708 CD GLN A 44 9.574 -7.774 1.213 1.00 0.00 C ATOM 709 OE1 GLN A 44 9.237 -7.873 0.034 1.00 0.00 O ATOM 710 NE2 GLN A 44 9.549 -8.802 2.054 1.00 0.00 N ATOM 0 H GLN A 44 7.749 -4.237 1.437 1.00 0.00 H new ATOM 0 HA GLN A 44 10.398 -3.957 2.389 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.973 -5.456 0.217 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.716 -5.320 0.094 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.089 -6.532 2.072 1.00 0.00 H new ATOM 0 HG3 GLN A 44 9.477 -6.227 2.687 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.837 -8.674 3.024 1.00 0.00 H new ATOM 0 HE22 GLN A 44 9.241 -9.719 1.730 1.00 0.00 H new ATOM 719 N ILE A 45 9.640 -2.397 -0.408 1.00 0.00 N ATOM 720 CA ILE A 45 10.095 -1.384 -1.351 1.00 0.00 C ATOM 721 C ILE A 45 10.448 -0.091 -0.628 1.00 0.00 C ATOM 722 O ILE A 45 11.251 0.699 -1.112 1.00 0.00 O ATOM 723 CB ILE A 45 9.019 -1.103 -2.426 1.00 0.00 C ATOM 724 CG1 ILE A 45 8.841 -2.328 -3.324 1.00 0.00 C ATOM 725 CG2 ILE A 45 9.376 0.124 -3.259 1.00 0.00 C ATOM 726 CD1 ILE A 45 7.437 -2.479 -3.868 1.00 0.00 C ATOM 0 H ILE A 45 8.675 -2.697 -0.547 1.00 0.00 H new ATOM 0 HA ILE A 45 10.988 -1.770 -1.842 1.00 0.00 H new ATOM 0 HB ILE A 45 8.077 -0.896 -1.918 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.540 -2.262 -4.158 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.102 -3.223 -2.760 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.600 0.295 -4.006 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.452 0.995 -2.609 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.331 -0.041 -3.759 1.00 0.00 H new ATOM 0 HD11 ILE A 45 7.384 -3.368 -4.496 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.735 -2.577 -3.040 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.180 -1.601 -4.460 1.00 0.00 H new ATOM 738 N LEU A 46 9.852 0.118 0.536 1.00 0.00 N ATOM 739 CA LEU A 46 10.128 1.315 1.311 1.00 0.00 C ATOM 740 C LEU A 46 11.332 1.091 2.213 1.00 0.00 C ATOM 741 O LEU A 46 12.190 1.962 2.357 1.00 0.00 O ATOM 742 CB LEU A 46 8.910 1.703 2.145 1.00 0.00 C ATOM 743 CG LEU A 46 8.507 3.172 2.044 1.00 0.00 C ATOM 744 CD1 LEU A 46 9.707 4.075 2.294 1.00 0.00 C ATOM 745 CD2 LEU A 46 7.890 3.460 0.681 1.00 0.00 C ATOM 0 H LEU A 46 9.180 -0.521 0.961 1.00 0.00 H new ATOM 0 HA LEU A 46 10.351 2.130 0.622 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.065 1.087 1.837 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.112 1.467 3.190 1.00 0.00 H new ATOM 0 HG LEU A 46 7.760 3.380 2.810 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.400 5.118 2.218 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.103 3.886 3.292 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.478 3.869 1.552 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.608 4.511 0.624 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.615 3.236 -0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.005 2.839 0.544 1.00 0.00 H new ATOM 757 N LYS A 47 11.388 -0.090 2.813 1.00 0.00 N ATOM 758 CA LYS A 47 12.483 -0.449 3.699 1.00 0.00 C ATOM 759 C LYS A 47 13.747 -0.761 2.901 1.00 0.00 C ATOM 760 O LYS A 47 14.856 -0.676 3.427 1.00 0.00 O ATOM 761 CB LYS A 47 12.098 -1.654 4.559 1.00 0.00 C ATOM 762 CG LYS A 47 13.126 -1.993 5.626 1.00 0.00 C ATOM 763 CD LYS A 47 13.235 -3.495 5.839 1.00 0.00 C ATOM 764 CE LYS A 47 12.439 -3.943 7.055 1.00 0.00 C ATOM 765 NZ LYS A 47 13.002 -5.181 7.661 1.00 0.00 N ATOM 0 H LYS A 47 10.683 -0.818 2.700 1.00 0.00 H new ATOM 0 HA LYS A 47 12.685 0.402 4.350 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.140 -1.456 5.039 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.958 -2.521 3.913 1.00 0.00 H new ATOM 0 HG2 LYS A 47 14.098 -1.594 5.336 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.851 -1.511 6.564 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.873 -4.017 4.953 1.00 0.00 H new ATOM 0 HD3 LYS A 47 14.282 -3.771 5.966 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.432 -3.146 7.798 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.403 -4.119 6.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.432 -5.454 8.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.986 -5.949 6.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.983 -5.006 7.960 1.00 0.00 H new ATOM 779 N GLU A 48 13.576 -1.122 1.630 1.00 0.00 N ATOM 780 CA GLU A 48 14.714 -1.442 0.779 1.00 0.00 C ATOM 781 C GLU A 48 15.639 -0.232 0.635 1.00 0.00 C ATOM 782 O GLU A 48 15.270 0.768 0.020 1.00 0.00 O ATOM 783 CB GLU A 48 14.232 -1.904 -0.598 1.00 0.00 C ATOM 784 CG GLU A 48 14.280 -3.412 -0.783 1.00 0.00 C ATOM 785 CD GLU A 48 15.639 -3.899 -1.244 1.00 0.00 C ATOM 786 OE1 GLU A 48 15.971 -3.699 -2.431 1.00 0.00 O ATOM 787 OE2 GLU A 48 16.373 -4.482 -0.417 1.00 0.00 O ATOM 0 H GLU A 48 12.668 -1.199 1.173 1.00 0.00 H new ATOM 0 HA GLU A 48 15.275 -2.251 1.247 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.209 -1.560 -0.750 1.00 0.00 H new ATOM 0 HB3 GLU A 48 14.845 -1.432 -1.366 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.024 -3.898 0.158 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.525 -3.709 -1.511 1.00 0.00 H new ATOM 794 N PRO A 49 16.857 -0.302 1.207 1.00 0.00 N ATOM 795 CA PRO A 49 17.825 0.800 1.140 1.00 0.00 C ATOM 796 C PRO A 49 18.049 1.300 -0.283 1.00 0.00 C ATOM 797 O PRO A 49 18.444 2.446 -0.492 1.00 0.00 O ATOM 798 CB PRO A 49 19.108 0.182 1.700 1.00 0.00 C ATOM 799 CG PRO A 49 18.638 -0.909 2.597 1.00 0.00 C ATOM 800 CD PRO A 49 17.385 -1.452 1.967 1.00 0.00 C ATOM 0 HA PRO A 49 17.480 1.674 1.692 1.00 0.00 H new ATOM 0 HB2 PRO A 49 19.742 -0.206 0.903 1.00 0.00 H new ATOM 0 HB3 PRO A 49 19.697 0.918 2.246 1.00 0.00 H new ATOM 0 HG2 PRO A 49 19.395 -1.687 2.694 1.00 0.00 H new ATOM 0 HG3 PRO A 49 18.439 -0.531 3.600 1.00 0.00 H new ATOM 0 HD2 PRO A 49 17.598 -2.300 1.316 1.00 0.00 H new ATOM 0 HD3 PRO A 49 16.675 -1.797 2.718 1.00 0.00 H new ATOM 808 N LYS A 50 17.785 0.438 -1.261 1.00 0.00 N ATOM 809 CA LYS A 50 17.951 0.806 -2.663 1.00 0.00 C ATOM 810 C LYS A 50 16.651 1.372 -3.230 1.00 0.00 C ATOM 811 O LYS A 50 16.411 1.318 -4.436 1.00 0.00 O ATOM 812 CB LYS A 50 18.392 -0.409 -3.482 1.00 0.00 C ATOM 813 CG LYS A 50 18.988 -0.048 -4.832 1.00 0.00 C ATOM 814 CD LYS A 50 20.446 0.362 -4.705 1.00 0.00 C ATOM 815 CE LYS A 50 20.888 1.220 -5.880 1.00 0.00 C ATOM 816 NZ LYS A 50 22.289 0.926 -6.288 1.00 0.00 N ATOM 0 H LYS A 50 17.457 -0.516 -1.109 1.00 0.00 H new ATOM 0 HA LYS A 50 18.721 1.575 -2.725 1.00 0.00 H new ATOM 0 HB2 LYS A 50 19.127 -0.975 -2.910 1.00 0.00 H new ATOM 0 HB3 LYS A 50 17.534 -1.064 -3.636 1.00 0.00 H new ATOM 0 HG2 LYS A 50 18.906 -0.900 -5.507 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.417 0.767 -5.277 1.00 0.00 H new ATOM 0 HD2 LYS A 50 20.590 0.913 -3.776 1.00 0.00 H new ATOM 0 HD3 LYS A 50 21.072 -0.529 -4.648 1.00 0.00 H new ATOM 0 HE2 LYS A 50 20.221 1.049 -6.725 1.00 0.00 H new ATOM 0 HE3 LYS A 50 20.801 2.273 -5.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 22.551 1.532 -7.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 22.929 1.113 -5.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 22.367 -0.073 -6.568 1.00 0.00 H new ATOM 830 N MET A 51 15.813 1.911 -2.347 1.00 0.00 N ATOM 831 CA MET A 51 14.535 2.483 -2.749 1.00 0.00 C ATOM 832 C MET A 51 14.256 3.785 -2.003 1.00 0.00 C ATOM 833 O MET A 51 13.718 4.734 -2.572 1.00 0.00 O ATOM 834 CB MET A 51 13.409 1.490 -2.477 1.00 0.00 C ATOM 835 CG MET A 51 13.698 0.086 -2.975 1.00 0.00 C ATOM 836 SD MET A 51 13.358 -0.112 -4.733 1.00 0.00 S ATOM 837 CE MET A 51 11.773 -0.941 -4.670 1.00 0.00 C ATOM 0 H MET A 51 15.999 1.962 -1.345 1.00 0.00 H new ATOM 0 HA MET A 51 14.584 2.699 -3.816 1.00 0.00 H new ATOM 0 HB2 MET A 51 13.221 1.453 -1.404 1.00 0.00 H new ATOM 0 HB3 MET A 51 12.496 1.852 -2.949 1.00 0.00 H new ATOM 0 HG2 MET A 51 14.743 -0.156 -2.782 1.00 0.00 H new ATOM 0 HG3 MET A 51 13.097 -0.626 -2.410 1.00 0.00 H new ATOM 0 HE1 MET A 51 11.882 -1.963 -5.032 1.00 0.00 H new ATOM 0 HE2 MET A 51 11.411 -0.957 -3.642 1.00 0.00 H new ATOM 0 HE3 MET A 51 11.059 -0.408 -5.298 1.00 0.00 H new ATOM 847 N ALA A 52 14.621 3.821 -0.721 1.00 0.00 N ATOM 848 CA ALA A 52 14.404 5.003 0.107 1.00 0.00 C ATOM 849 C ALA A 52 14.895 6.270 -0.587 1.00 0.00 C ATOM 850 O ALA A 52 14.380 7.360 -0.344 1.00 0.00 O ATOM 851 CB ALA A 52 15.095 4.835 1.452 1.00 0.00 C ATOM 0 H ALA A 52 15.068 3.044 -0.235 1.00 0.00 H new ATOM 0 HA ALA A 52 13.331 5.107 0.267 1.00 0.00 H new ATOM 0 HB1 ALA A 52 14.926 5.723 2.061 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.689 3.962 1.963 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.165 4.700 1.297 1.00 0.00 H new ATOM 857 N ALA A 53 15.892 6.118 -1.450 1.00 0.00 N ATOM 858 CA ALA A 53 16.449 7.253 -2.177 1.00 0.00 C ATOM 859 C ALA A 53 15.634 7.559 -3.429 1.00 0.00 C ATOM 860 O ALA A 53 15.617 8.694 -3.907 1.00 0.00 O ATOM 861 CB ALA A 53 17.901 6.983 -2.542 1.00 0.00 C ATOM 0 H ALA A 53 16.331 5.222 -1.664 1.00 0.00 H new ATOM 0 HA ALA A 53 16.405 8.126 -1.526 1.00 0.00 H new ATOM 0 HB1 ALA A 53 18.305 7.838 -3.084 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.481 6.823 -1.633 1.00 0.00 H new ATOM 0 HB3 ALA A 53 17.959 6.094 -3.171 1.00 0.00 H new ATOM 867 N SER A 54 14.960 6.543 -3.958 1.00 0.00 N ATOM 868 CA SER A 54 14.145 6.707 -5.157 1.00 0.00 C ATOM 869 C SER A 54 12.701 7.045 -4.797 1.00 0.00 C ATOM 870 O SER A 54 11.991 7.681 -5.576 1.00 0.00 O ATOM 871 CB SER A 54 14.186 5.433 -6.003 1.00 0.00 C ATOM 872 OG SER A 54 14.051 5.733 -7.382 1.00 0.00 O ATOM 0 H SER A 54 14.962 5.597 -3.576 1.00 0.00 H new ATOM 0 HA SER A 54 14.558 7.535 -5.734 1.00 0.00 H new ATOM 0 HB2 SER A 54 15.126 4.909 -5.832 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.386 4.761 -5.694 1.00 0.00 H new ATOM 0 HG SER A 54 14.082 4.903 -7.902 1.00 0.00 H new ATOM 878 N LEU A 55 12.271 6.613 -3.616 1.00 0.00 N ATOM 879 CA LEU A 55 10.909 6.869 -3.160 1.00 0.00 C ATOM 880 C LEU A 55 10.727 8.332 -2.772 1.00 0.00 C ATOM 881 O LEU A 55 9.671 8.920 -3.011 1.00 0.00 O ATOM 882 CB LEU A 55 10.571 5.965 -1.973 1.00 0.00 C ATOM 883 CG LEU A 55 10.189 4.529 -2.342 1.00 0.00 C ATOM 884 CD1 LEU A 55 10.817 3.542 -1.372 1.00 0.00 C ATOM 885 CD2 LEU A 55 8.676 4.370 -2.363 1.00 0.00 C ATOM 0 H LEU A 55 12.845 6.085 -2.958 1.00 0.00 H new ATOM 0 HA LEU A 55 10.229 6.647 -3.983 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.429 5.936 -1.302 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.747 6.413 -1.417 1.00 0.00 H new ATOM 0 HG LEU A 55 10.572 4.317 -3.340 1.00 0.00 H new ATOM 0 HD11 LEU A 55 10.534 2.527 -1.651 1.00 0.00 H new ATOM 0 HD12 LEU A 55 11.902 3.638 -1.407 1.00 0.00 H new ATOM 0 HD13 LEU A 55 10.466 3.752 -0.362 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.422 3.344 -2.627 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.272 4.602 -1.378 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.249 5.051 -3.100 1.00 0.00 H new ATOM 897 N LEU A 56 11.759 8.916 -2.170 1.00 0.00 N ATOM 898 CA LEU A 56 11.706 10.312 -1.750 1.00 0.00 C ATOM 899 C LEU A 56 12.597 11.186 -2.629 1.00 0.00 C ATOM 900 O LEU A 56 13.025 12.263 -2.217 1.00 0.00 O ATOM 901 CB LEU A 56 12.130 10.442 -0.285 1.00 0.00 C ATOM 902 CG LEU A 56 13.605 10.147 -0.007 1.00 0.00 C ATOM 903 CD1 LEU A 56 14.420 11.431 -0.025 1.00 0.00 C ATOM 904 CD2 LEU A 56 13.762 9.433 1.328 1.00 0.00 C ATOM 0 H LEU A 56 12.640 8.445 -1.963 1.00 0.00 H new ATOM 0 HA LEU A 56 10.677 10.656 -1.857 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.908 11.454 0.053 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.521 9.765 0.315 1.00 0.00 H new ATOM 0 HG LEU A 56 13.980 9.493 -0.794 1.00 0.00 H new ATOM 0 HD11 LEU A 56 15.466 11.201 0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 56 14.333 11.904 -1.003 1.00 0.00 H new ATOM 0 HD13 LEU A 56 14.046 12.110 0.741 1.00 0.00 H new ATOM 0 HD21 LEU A 56 14.817 9.231 1.510 1.00 0.00 H new ATOM 0 HD22 LEU A 56 13.370 10.064 2.126 1.00 0.00 H new ATOM 0 HD23 LEU A 56 13.211 8.493 1.305 1.00 0.00 H new ATOM 916 N ASN A 57 12.871 10.719 -3.844 1.00 0.00 N ATOM 917 CA ASN A 57 13.711 11.463 -4.774 1.00 0.00 C ATOM 918 C ASN A 57 12.885 12.487 -5.553 1.00 0.00 C ATOM 919 O ASN A 57 11.742 12.219 -5.924 1.00 0.00 O ATOM 920 CB ASN A 57 14.408 10.505 -5.744 1.00 0.00 C ATOM 921 CG ASN A 57 15.913 10.691 -5.763 1.00 0.00 C ATOM 922 OD1 ASN A 57 16.463 11.478 -4.993 1.00 0.00 O ATOM 923 ND2 ASN A 57 16.588 9.965 -6.647 1.00 0.00 N ATOM 0 H ASN A 57 12.524 9.831 -4.206 1.00 0.00 H new ATOM 0 HA ASN A 57 14.467 11.996 -4.197 1.00 0.00 H new ATOM 0 HB2 ASN A 57 14.176 9.477 -5.464 1.00 0.00 H new ATOM 0 HB3 ASN A 57 14.013 10.659 -6.748 1.00 0.00 H new ATOM 0 HD21 ASN A 57 17.603 10.048 -6.706 1.00 0.00 H new ATOM 0 HD22 ASN A 57 16.091 9.325 -7.266 1.00 0.00 H new ATOM 930 N PRO A 58 13.455 13.677 -5.813 1.00 0.00 N ATOM 931 CA PRO A 58 12.763 14.738 -6.552 1.00 0.00 C ATOM 932 C PRO A 58 12.680 14.453 -8.050 1.00 0.00 C ATOM 933 O PRO A 58 12.047 15.199 -8.797 1.00 0.00 O ATOM 934 CB PRO A 58 13.633 15.967 -6.291 1.00 0.00 C ATOM 935 CG PRO A 58 15.000 15.419 -6.076 1.00 0.00 C ATOM 936 CD PRO A 58 14.815 14.083 -5.408 1.00 0.00 C ATOM 0 HA PRO A 58 11.727 14.849 -6.231 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.610 16.656 -7.136 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.286 16.521 -5.419 1.00 0.00 H new ATOM 0 HG2 PRO A 58 15.530 15.311 -7.022 1.00 0.00 H new ATOM 0 HG3 PRO A 58 15.594 16.087 -5.453 1.00 0.00 H new ATOM 0 HD2 PRO A 58 15.563 13.363 -5.738 1.00 0.00 H new ATOM 0 HD3 PRO A 58 14.904 14.161 -4.324 1.00 0.00 H new ATOM 944 N TYR A 59 13.323 13.372 -8.485 1.00 0.00 N ATOM 945 CA TYR A 59 13.320 12.997 -9.894 1.00 0.00 C ATOM 946 C TYR A 59 12.113 12.125 -10.223 1.00 0.00 C ATOM 947 O TYR A 59 11.448 12.326 -11.240 1.00 0.00 O ATOM 948 CB TYR A 59 14.610 12.255 -10.246 1.00 0.00 C ATOM 949 CG TYR A 59 15.859 12.940 -9.736 1.00 0.00 C ATOM 950 CD1 TYR A 59 16.266 12.791 -8.416 1.00 0.00 C ATOM 951 CD2 TYR A 59 16.631 13.734 -10.575 1.00 0.00 C ATOM 952 CE1 TYR A 59 17.405 13.416 -7.946 1.00 0.00 C ATOM 953 CE2 TYR A 59 17.772 14.361 -10.112 1.00 0.00 C ATOM 954 CZ TYR A 59 18.154 14.199 -8.798 1.00 0.00 C ATOM 955 OH TYR A 59 19.290 14.823 -8.334 1.00 0.00 O ATOM 0 H TYR A 59 13.852 12.742 -7.882 1.00 0.00 H new ATOM 0 HA TYR A 59 13.258 13.909 -10.488 1.00 0.00 H new ATOM 0 HB2 TYR A 59 14.564 11.247 -9.834 1.00 0.00 H new ATOM 0 HB3 TYR A 59 14.677 12.154 -11.329 1.00 0.00 H new ATOM 0 HD1 TYR A 59 15.683 12.177 -7.746 1.00 0.00 H new ATOM 0 HD2 TYR A 59 16.335 13.863 -11.605 1.00 0.00 H new ATOM 0 HE1 TYR A 59 17.707 13.292 -6.917 1.00 0.00 H new ATOM 0 HE2 TYR A 59 18.362 14.975 -10.777 1.00 0.00 H new ATOM 0 HH TYR A 59 19.702 15.335 -9.061 1.00 0.00 H new ATOM 965 N VAL A 60 11.833 11.158 -9.356 1.00 0.00 N ATOM 966 CA VAL A 60 10.705 10.255 -9.555 1.00 0.00 C ATOM 967 C VAL A 60 9.386 11.022 -9.591 1.00 0.00 C ATOM 968 O VAL A 60 8.412 10.570 -10.191 1.00 0.00 O ATOM 969 CB VAL A 60 10.634 9.186 -8.449 1.00 0.00 C ATOM 970 CG1 VAL A 60 9.672 8.076 -8.841 1.00 0.00 C ATOM 971 CG2 VAL A 60 12.017 8.620 -8.158 1.00 0.00 C ATOM 0 H VAL A 60 12.372 10.979 -8.508 1.00 0.00 H new ATOM 0 HA VAL A 60 10.863 9.762 -10.514 1.00 0.00 H new ATOM 0 HB VAL A 60 10.261 9.658 -7.540 1.00 0.00 H new ATOM 0 HG11 VAL A 60 9.635 7.330 -8.047 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.677 8.494 -8.993 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.014 7.607 -9.764 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.944 7.867 -7.374 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.421 8.165 -9.062 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.677 9.423 -7.830 1.00 0.00 H new ATOM 981 N LYS A 61 9.362 12.184 -8.945 1.00 0.00 N ATOM 982 CA LYS A 61 8.162 13.012 -8.906 1.00 0.00 C ATOM 983 C LYS A 61 6.997 12.258 -8.271 1.00 0.00 C ATOM 984 O LYS A 61 7.179 11.185 -7.696 1.00 0.00 O ATOM 985 CB LYS A 61 7.785 13.464 -10.319 1.00 0.00 C ATOM 986 CG LYS A 61 7.303 14.904 -10.388 1.00 0.00 C ATOM 987 CD LYS A 61 8.434 15.852 -10.752 1.00 0.00 C ATOM 988 CE LYS A 61 8.435 16.174 -12.238 1.00 0.00 C ATOM 989 NZ LYS A 61 9.809 16.431 -12.749 1.00 0.00 N ATOM 0 H LYS A 61 10.159 12.573 -8.442 1.00 0.00 H new ATOM 0 HA LYS A 61 8.376 13.889 -8.295 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.650 13.347 -10.972 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.004 12.809 -10.705 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.505 14.987 -11.126 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.879 15.194 -9.426 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.336 16.774 -10.179 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.389 15.405 -10.475 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.992 15.345 -12.789 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.810 17.048 -12.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.767 16.647 -13.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.223 17.238 -12.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.399 15.588 -12.598 1.00 0.00 H new ATOM 1003 N ARG A 62 5.802 12.827 -8.380 1.00 0.00 N ATOM 1004 CA ARG A 62 4.606 12.211 -7.818 1.00 0.00 C ATOM 1005 C ARG A 62 3.791 11.515 -8.903 1.00 0.00 C ATOM 1006 O ARG A 62 3.593 10.301 -8.861 1.00 0.00 O ATOM 1007 CB ARG A 62 3.748 13.265 -7.116 1.00 0.00 C ATOM 1008 CG ARG A 62 2.488 12.700 -6.479 1.00 0.00 C ATOM 1009 CD ARG A 62 1.314 13.657 -6.620 1.00 0.00 C ATOM 1010 NE ARG A 62 0.516 13.728 -5.398 1.00 0.00 N ATOM 1011 CZ ARG A 62 -0.528 14.538 -5.240 1.00 0.00 C ATOM 1012 NH1 ARG A 62 -0.902 15.348 -6.223 1.00 0.00 N ATOM 1013 NH2 ARG A 62 -1.200 14.539 -4.097 1.00 0.00 N ATOM 0 H ARG A 62 5.636 13.715 -8.853 1.00 0.00 H new ATOM 0 HA ARG A 62 4.920 11.463 -7.090 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.346 13.754 -6.347 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.467 14.032 -7.838 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.240 11.747 -6.945 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.671 12.500 -5.423 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.685 14.651 -6.869 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.682 13.336 -7.448 1.00 0.00 H new ATOM 0 HE ARG A 62 0.774 13.121 -4.620 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.388 15.351 -7.104 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.703 15.967 -6.097 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.917 13.919 -3.338 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.000 15.160 -3.976 1.00 0.00 H new ATOM 1027 N SER A 63 3.319 12.293 -9.872 1.00 0.00 N ATOM 1028 CA SER A 63 2.523 11.750 -10.968 1.00 0.00 C ATOM 1029 C SER A 63 3.311 10.702 -11.747 1.00 0.00 C ATOM 1030 O SER A 63 2.799 9.624 -12.048 1.00 0.00 O ATOM 1031 CB SER A 63 2.078 12.872 -11.907 1.00 0.00 C ATOM 1032 OG SER A 63 0.805 13.373 -11.536 1.00 0.00 O ATOM 0 H SER A 63 3.473 13.300 -9.921 1.00 0.00 H new ATOM 0 HA SER A 63 1.642 11.272 -10.541 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.810 13.679 -11.887 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.042 12.500 -12.931 1.00 0.00 H new ATOM 0 HG SER A 63 0.544 14.090 -12.151 1.00 0.00 H new ATOM 1038 N VAL A 64 4.560 11.025 -12.069 1.00 0.00 N ATOM 1039 CA VAL A 64 5.416 10.108 -12.811 1.00 0.00 C ATOM 1040 C VAL A 64 5.579 8.788 -12.066 1.00 0.00 C ATOM 1041 O VAL A 64 5.510 7.713 -12.662 1.00 0.00 O ATOM 1042 CB VAL A 64 6.809 10.720 -13.065 1.00 0.00 C ATOM 1043 CG1 VAL A 64 7.642 9.808 -13.952 1.00 0.00 C ATOM 1044 CG2 VAL A 64 6.680 12.105 -13.684 1.00 0.00 C ATOM 0 H VAL A 64 5.000 11.913 -11.828 1.00 0.00 H new ATOM 0 HA VAL A 64 4.930 9.924 -13.769 1.00 0.00 H new ATOM 0 HB VAL A 64 7.320 10.821 -12.107 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.621 10.258 -14.119 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.766 8.841 -13.465 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.138 9.671 -14.909 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.673 12.521 -13.856 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.148 12.031 -14.633 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.126 12.756 -13.007 1.00 0.00 H new ATOM 1054 N LYS A 65 5.792 8.876 -10.756 1.00 0.00 N ATOM 1055 CA LYS A 65 5.961 7.688 -9.926 1.00 0.00 C ATOM 1056 C LYS A 65 4.750 6.767 -10.043 1.00 0.00 C ATOM 1057 O LYS A 65 4.875 5.546 -9.943 1.00 0.00 O ATOM 1058 CB LYS A 65 6.172 8.087 -8.465 1.00 0.00 C ATOM 1059 CG LYS A 65 7.076 7.135 -7.700 1.00 0.00 C ATOM 1060 CD LYS A 65 6.272 6.113 -6.912 1.00 0.00 C ATOM 1061 CE LYS A 65 7.077 4.849 -6.660 1.00 0.00 C ATOM 1062 NZ LYS A 65 7.163 3.994 -7.875 1.00 0.00 N ATOM 0 H LYS A 65 5.852 9.758 -10.247 1.00 0.00 H new ATOM 0 HA LYS A 65 6.841 7.150 -10.279 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.599 9.089 -8.429 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.204 8.135 -7.967 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.737 6.620 -8.397 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.711 7.703 -7.020 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.964 6.546 -5.960 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.362 5.864 -7.458 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.082 5.118 -6.333 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.619 4.283 -5.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.758 3.058 -7.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.632 4.439 -8.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.159 3.887 -8.154 1.00 0.00 H new ATOM 1076 N VAL A 66 3.579 7.361 -10.255 1.00 0.00 N ATOM 1077 CA VAL A 66 2.347 6.593 -10.385 1.00 0.00 C ATOM 1078 C VAL A 66 2.426 5.624 -11.559 1.00 0.00 C ATOM 1079 O VAL A 66 2.014 4.468 -11.451 1.00 0.00 O ATOM 1080 CB VAL A 66 1.128 7.515 -10.576 1.00 0.00 C ATOM 1081 CG1 VAL A 66 -0.164 6.713 -10.514 1.00 0.00 C ATOM 1082 CG2 VAL A 66 1.127 8.622 -9.532 1.00 0.00 C ATOM 0 H VAL A 66 3.458 8.370 -10.340 1.00 0.00 H new ATOM 0 HA VAL A 66 2.226 6.030 -9.460 1.00 0.00 H new ATOM 0 HB VAL A 66 1.195 7.976 -11.561 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.014 7.381 -10.651 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.163 5.960 -11.303 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.241 6.222 -9.544 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.259 9.263 -9.683 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.085 8.182 -8.536 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.037 9.214 -9.629 1.00 0.00 H new ATOM 1092 N LYS A 67 2.957 6.100 -12.680 1.00 0.00 N ATOM 1093 CA LYS A 67 3.089 5.274 -13.874 1.00 0.00 C ATOM 1094 C LYS A 67 4.131 4.179 -13.663 1.00 0.00 C ATOM 1095 O LYS A 67 3.994 3.070 -14.178 1.00 0.00 O ATOM 1096 CB LYS A 67 3.475 6.136 -15.078 1.00 0.00 C ATOM 1097 CG LYS A 67 2.280 6.640 -15.871 1.00 0.00 C ATOM 1098 CD LYS A 67 1.848 8.023 -15.411 1.00 0.00 C ATOM 1099 CE LYS A 67 0.362 8.249 -15.644 1.00 0.00 C ATOM 1100 NZ LYS A 67 -0.448 7.899 -14.445 1.00 0.00 N ATOM 0 H LYS A 67 3.303 7.054 -12.787 1.00 0.00 H new ATOM 0 HA LYS A 67 2.125 4.803 -14.069 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.057 6.990 -14.732 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.121 5.556 -15.738 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.532 6.671 -16.931 1.00 0.00 H new ATOM 0 HG3 LYS A 67 1.449 5.943 -15.761 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.073 8.142 -14.351 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.421 8.781 -15.946 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.190 9.293 -15.906 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.032 7.649 -16.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.455 8.067 -14.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.305 6.896 -14.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -0.151 8.489 -13.641 1.00 0.00 H new ATOM 1114 N SER A 68 5.171 4.500 -12.901 1.00 0.00 N ATOM 1115 CA SER A 68 6.235 3.543 -12.620 1.00 0.00 C ATOM 1116 C SER A 68 5.744 2.445 -11.683 1.00 0.00 C ATOM 1117 O SER A 68 6.208 1.306 -11.748 1.00 0.00 O ATOM 1118 CB SER A 68 7.440 4.256 -12.002 1.00 0.00 C ATOM 1119 OG SER A 68 7.255 4.460 -10.612 1.00 0.00 O ATOM 0 H SER A 68 5.300 5.414 -12.467 1.00 0.00 H new ATOM 0 HA SER A 68 6.536 3.085 -13.562 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.341 3.665 -12.169 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.592 5.216 -12.496 1.00 0.00 H new ATOM 0 HG SER A 68 6.424 4.957 -10.462 1.00 0.00 H new ATOM 1125 N LEU A 69 4.801 2.793 -10.813 1.00 0.00 N ATOM 1126 CA LEU A 69 4.247 1.837 -9.861 1.00 0.00 C ATOM 1127 C LEU A 69 3.390 0.795 -10.572 1.00 0.00 C ATOM 1128 O LEU A 69 3.406 -0.381 -10.216 1.00 0.00 O ATOM 1129 CB LEU A 69 3.417 2.565 -8.801 1.00 0.00 C ATOM 1130 CG LEU A 69 4.059 2.639 -7.415 1.00 0.00 C ATOM 1131 CD1 LEU A 69 3.184 3.438 -6.462 1.00 0.00 C ATOM 1132 CD2 LEU A 69 4.306 1.240 -6.869 1.00 0.00 C ATOM 0 H LEU A 69 4.404 3.731 -10.748 1.00 0.00 H new ATOM 0 HA LEU A 69 5.076 1.324 -9.373 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.221 3.579 -9.148 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.452 2.066 -8.712 1.00 0.00 H new ATOM 0 HG LEU A 69 5.018 3.148 -7.506 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.658 3.479 -5.481 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.057 4.450 -6.847 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.209 2.958 -6.374 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.763 1.310 -5.882 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.358 0.707 -6.793 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.973 0.700 -7.541 1.00 0.00 H new ATOM 1144 N SER A 70 2.640 1.236 -11.576 1.00 0.00 N ATOM 1145 CA SER A 70 1.774 0.339 -12.332 1.00 0.00 C ATOM 1146 C SER A 70 2.590 -0.610 -13.202 1.00 0.00 C ATOM 1147 O SER A 70 2.156 -1.723 -13.497 1.00 0.00 O ATOM 1148 CB SER A 70 0.800 1.140 -13.198 1.00 0.00 C ATOM 1149 OG SER A 70 -0.387 1.441 -12.486 1.00 0.00 O ATOM 0 H SER A 70 2.614 2.208 -11.885 1.00 0.00 H new ATOM 0 HA SER A 70 1.205 -0.257 -11.618 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.276 2.064 -13.525 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.555 0.572 -14.096 1.00 0.00 H new ATOM 0 HG SER A 70 -0.992 1.955 -13.061 1.00 0.00 H new ATOM 1155 N ASP A 71 3.779 -0.174 -13.598 1.00 0.00 N ATOM 1156 CA ASP A 71 4.653 -1.003 -14.414 1.00 0.00 C ATOM 1157 C ASP A 71 5.591 -1.795 -13.518 1.00 0.00 C ATOM 1158 O ASP A 71 5.958 -2.929 -13.828 1.00 0.00 O ATOM 1159 CB ASP A 71 5.452 -0.145 -15.396 1.00 0.00 C ATOM 1160 CG ASP A 71 4.766 -0.013 -16.741 1.00 0.00 C ATOM 1161 OD1 ASP A 71 3.797 0.769 -16.839 1.00 0.00 O ATOM 1162 OD2 ASP A 71 5.198 -0.692 -17.697 1.00 0.00 O ATOM 0 H ASP A 71 4.158 0.745 -13.368 1.00 0.00 H new ATOM 0 HA ASP A 71 4.041 -1.696 -14.991 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.602 0.847 -14.969 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.440 -0.584 -15.537 1.00 0.00 H new ATOM 1167 N MET A 72 5.954 -1.195 -12.391 1.00 0.00 N ATOM 1168 CA MET A 72 6.824 -1.848 -11.430 1.00 0.00 C ATOM 1169 C MET A 72 6.021 -2.826 -10.594 1.00 0.00 C ATOM 1170 O MET A 72 6.549 -3.843 -10.142 1.00 0.00 O ATOM 1171 CB MET A 72 7.510 -0.813 -10.534 1.00 0.00 C ATOM 1172 CG MET A 72 8.281 -1.418 -9.369 1.00 0.00 C ATOM 1173 SD MET A 72 8.841 -0.178 -8.188 1.00 0.00 S ATOM 1174 CE MET A 72 7.483 -0.185 -7.020 1.00 0.00 C ATOM 0 H MET A 72 5.657 -0.257 -12.123 1.00 0.00 H new ATOM 0 HA MET A 72 7.598 -2.395 -11.969 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.194 -0.219 -11.140 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.756 -0.130 -10.142 1.00 0.00 H new ATOM 0 HG2 MET A 72 7.648 -2.142 -8.857 1.00 0.00 H new ATOM 0 HG3 MET A 72 9.143 -1.964 -9.753 1.00 0.00 H new ATOM 0 HE1 MET A 72 7.093 0.827 -6.910 1.00 0.00 H new ATOM 0 HE2 MET A 72 6.693 -0.841 -7.385 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.836 -0.545 -6.054 1.00 0.00 H new ATOM 1184 N THR A 73 4.735 -2.535 -10.402 1.00 0.00 N ATOM 1185 CA THR A 73 3.894 -3.427 -9.632 1.00 0.00 C ATOM 1186 C THR A 73 3.773 -4.759 -10.346 1.00 0.00 C ATOM 1187 O THR A 73 3.621 -5.801 -9.709 1.00 0.00 O ATOM 1188 CB THR A 73 2.508 -2.847 -9.394 1.00 0.00 C ATOM 1189 OG1 THR A 73 1.753 -3.744 -8.612 1.00 0.00 O ATOM 1190 CG2 THR A 73 1.722 -2.595 -10.651 1.00 0.00 C ATOM 0 H THR A 73 4.267 -1.704 -10.764 1.00 0.00 H new ATOM 0 HA THR A 73 4.365 -3.564 -8.659 1.00 0.00 H new ATOM 0 HB THR A 73 2.674 -1.889 -8.901 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.148 -3.811 -7.718 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.747 -2.182 -10.394 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.261 -1.888 -11.281 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.588 -3.533 -11.190 1.00 0.00 H new ATOM 1198 N ALA A 74 3.869 -4.729 -11.676 1.00 0.00 N ATOM 1199 CA ALA A 74 3.798 -5.954 -12.455 1.00 0.00 C ATOM 1200 C ALA A 74 4.747 -6.987 -11.863 1.00 0.00 C ATOM 1201 O ALA A 74 4.505 -8.192 -11.942 1.00 0.00 O ATOM 1202 CB ALA A 74 4.138 -5.683 -13.913 1.00 0.00 C ATOM 0 H ALA A 74 3.994 -3.879 -12.226 1.00 0.00 H new ATOM 0 HA ALA A 74 2.781 -6.343 -12.417 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.079 -6.613 -14.479 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.431 -4.963 -14.324 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.148 -5.279 -13.982 1.00 0.00 H new ATOM 1208 N LYS A 75 5.825 -6.497 -11.248 1.00 0.00 N ATOM 1209 CA LYS A 75 6.803 -7.369 -10.618 1.00 0.00 C ATOM 1210 C LYS A 75 6.534 -7.492 -9.119 1.00 0.00 C ATOM 1211 O LYS A 75 6.909 -8.484 -8.496 1.00 0.00 O ATOM 1212 CB LYS A 75 8.220 -6.846 -10.859 1.00 0.00 C ATOM 1213 CG LYS A 75 8.904 -7.476 -12.061 1.00 0.00 C ATOM 1214 CD LYS A 75 8.147 -7.191 -13.347 1.00 0.00 C ATOM 1215 CE LYS A 75 7.268 -8.365 -13.748 1.00 0.00 C ATOM 1216 NZ LYS A 75 6.741 -8.218 -15.132 1.00 0.00 N ATOM 0 H LYS A 75 6.038 -5.502 -11.176 1.00 0.00 H new ATOM 0 HA LYS A 75 6.714 -8.359 -11.066 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.181 -5.766 -10.998 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.823 -7.031 -9.970 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.921 -7.093 -12.144 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.980 -8.553 -11.914 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.531 -6.301 -13.218 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.855 -6.975 -14.147 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.841 -9.289 -13.674 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.435 -8.450 -13.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.147 -9.039 -15.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.173 -7.349 -15.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.535 -8.163 -15.802 1.00 0.00 H new ATOM 1230 N GLU A 76 5.876 -6.485 -8.546 1.00 0.00 N ATOM 1231 CA GLU A 76 5.559 -6.501 -7.125 1.00 0.00 C ATOM 1232 C GLU A 76 4.463 -7.520 -6.832 1.00 0.00 C ATOM 1233 O GLU A 76 4.697 -8.501 -6.128 1.00 0.00 O ATOM 1234 CB GLU A 76 5.117 -5.112 -6.659 1.00 0.00 C ATOM 1235 CG GLU A 76 6.159 -4.029 -6.891 1.00 0.00 C ATOM 1236 CD GLU A 76 7.515 -4.392 -6.316 1.00 0.00 C ATOM 1237 OE1 GLU A 76 7.565 -5.241 -5.403 1.00 0.00 O ATOM 1238 OE2 GLU A 76 8.527 -3.827 -6.782 1.00 0.00 O ATOM 0 H GLU A 76 5.555 -5.654 -9.043 1.00 0.00 H new ATOM 0 HA GLU A 76 6.458 -6.786 -6.579 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.199 -4.839 -7.180 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.880 -5.154 -5.596 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.259 -3.849 -7.961 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.816 -3.097 -6.442 1.00 0.00 H new ATOM 1245 N LYS A 77 3.273 -7.279 -7.389 1.00 0.00 N ATOM 1246 CA LYS A 77 2.121 -8.171 -7.205 1.00 0.00 C ATOM 1247 C LYS A 77 0.800 -7.422 -7.394 1.00 0.00 C ATOM 1248 O LYS A 77 -0.167 -7.981 -7.913 1.00 0.00 O ATOM 1249 CB LYS A 77 2.132 -8.821 -5.815 1.00 0.00 C ATOM 1250 CG LYS A 77 2.652 -10.249 -5.814 1.00 0.00 C ATOM 1251 CD LYS A 77 1.522 -11.253 -5.977 1.00 0.00 C ATOM 1252 CE LYS A 77 1.762 -12.500 -5.142 1.00 0.00 C ATOM 1253 NZ LYS A 77 0.638 -13.471 -5.257 1.00 0.00 N ATOM 0 H LYS A 77 3.080 -6.467 -7.976 1.00 0.00 H new ATOM 0 HA LYS A 77 2.204 -8.949 -7.964 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.747 -8.219 -5.147 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.120 -8.812 -5.411 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.372 -10.376 -6.622 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.182 -10.444 -4.882 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.579 -10.792 -5.683 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.428 -11.529 -7.027 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.688 -12.978 -5.461 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.892 -12.218 -4.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.841 -14.307 -4.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.242 -13.024 -4.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.530 -13.760 -6.250 1.00 0.00 H new ATOM 1267 N PHE A 78 0.758 -6.165 -6.949 1.00 0.00 N ATOM 1268 CA PHE A 78 -0.452 -5.349 -7.047 1.00 0.00 C ATOM 1269 C PHE A 78 -1.137 -5.496 -8.376 1.00 0.00 C ATOM 1270 O PHE A 78 -0.564 -5.994 -9.344 1.00 0.00 O ATOM 1271 CB PHE A 78 -0.148 -3.871 -6.831 1.00 0.00 C ATOM 1272 CG PHE A 78 0.872 -3.646 -5.779 1.00 0.00 C ATOM 1273 CD1 PHE A 78 0.690 -4.181 -4.526 1.00 0.00 C ATOM 1274 CD2 PHE A 78 2.019 -2.928 -6.049 1.00 0.00 C ATOM 1275 CE1 PHE A 78 1.640 -4.005 -3.550 1.00 0.00 C ATOM 1276 CE2 PHE A 78 2.975 -2.741 -5.077 1.00 0.00 C ATOM 1277 CZ PHE A 78 2.787 -3.284 -3.823 1.00 0.00 C ATOM 0 H PHE A 78 1.550 -5.690 -6.516 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.115 -5.714 -6.262 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.199 -3.435 -7.768 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.066 -3.351 -6.558 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.206 -4.743 -4.308 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.168 -2.509 -7.033 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.491 -4.430 -2.569 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.867 -2.173 -5.295 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.535 -3.146 -3.056 1.00 0.00 H new ATOM 1287 N SER A 79 -2.368 -5.017 -8.406 1.00 0.00 N ATOM 1288 CA SER A 79 -3.177 -5.040 -9.611 1.00 0.00 C ATOM 1289 C SER A 79 -4.667 -4.963 -9.303 1.00 0.00 C ATOM 1290 O SER A 79 -5.416 -4.316 -10.036 1.00 0.00 O ATOM 1291 CB SER A 79 -2.893 -6.284 -10.467 1.00 0.00 C ATOM 1292 OG SER A 79 -2.573 -7.406 -9.663 1.00 0.00 O ATOM 0 H SER A 79 -2.833 -4.603 -7.599 1.00 0.00 H new ATOM 0 HA SER A 79 -2.895 -4.153 -10.178 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.765 -6.512 -11.080 1.00 0.00 H new ATOM 0 HB3 SER A 79 -2.068 -6.077 -11.149 1.00 0.00 H new ATOM 0 HG SER A 79 -1.601 -7.464 -9.554 1.00 0.00 H new ATOM 1298 N PRO A 80 -5.148 -5.662 -8.259 1.00 0.00 N ATOM 1299 CA PRO A 80 -6.554 -5.688 -7.929 1.00 0.00 C ATOM 1300 C PRO A 80 -6.963 -4.792 -6.766 1.00 0.00 C ATOM 1301 O PRO A 80 -7.578 -3.747 -6.976 1.00 0.00 O ATOM 1302 CB PRO A 80 -6.755 -7.160 -7.576 1.00 0.00 C ATOM 1303 CG PRO A 80 -5.414 -7.636 -7.073 1.00 0.00 C ATOM 1304 CD PRO A 80 -4.406 -6.541 -7.359 1.00 0.00 C ATOM 0 HA PRO A 80 -7.166 -5.306 -8.746 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.526 -7.280 -6.815 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.075 -7.733 -8.446 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.458 -7.847 -6.005 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -5.125 -8.562 -7.569 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.097 -6.025 -6.450 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.502 -6.932 -7.826 1.00 0.00 H new ATOM 1312 N LEU A 81 -6.639 -5.192 -5.539 1.00 0.00 N ATOM 1313 CA LEU A 81 -7.007 -4.391 -4.384 1.00 0.00 C ATOM 1314 C LEU A 81 -5.871 -3.469 -4.015 1.00 0.00 C ATOM 1315 O LEU A 81 -5.943 -2.720 -3.040 1.00 0.00 O ATOM 1316 CB LEU A 81 -7.367 -5.281 -3.200 1.00 0.00 C ATOM 1317 CG LEU A 81 -8.796 -5.822 -3.215 1.00 0.00 C ATOM 1318 CD1 LEU A 81 -9.801 -4.679 -3.178 1.00 0.00 C ATOM 1319 CD2 LEU A 81 -9.023 -6.692 -4.441 1.00 0.00 C ATOM 0 H LEU A 81 -6.132 -6.051 -5.325 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.883 -3.795 -4.641 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.675 -6.123 -3.173 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.217 -4.716 -2.280 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.941 -6.435 -2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.813 -5.084 -3.189 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.654 -4.095 -2.270 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.656 -4.039 -4.048 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.046 -7.069 -4.435 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.859 -6.101 -5.342 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.327 -7.531 -4.426 1.00 0.00 H new ATOM 1331 N THR A 82 -4.821 -3.532 -4.811 1.00 0.00 N ATOM 1332 CA THR A 82 -3.658 -2.717 -4.597 1.00 0.00 C ATOM 1333 C THR A 82 -3.417 -1.799 -5.786 1.00 0.00 C ATOM 1334 O THR A 82 -2.520 -0.962 -5.755 1.00 0.00 O ATOM 1335 CB THR A 82 -2.449 -3.603 -4.342 1.00 0.00 C ATOM 1336 OG1 THR A 82 -2.839 -4.959 -4.202 1.00 0.00 O ATOM 1337 CG2 THR A 82 -1.701 -3.208 -3.089 1.00 0.00 C ATOM 0 H THR A 82 -4.758 -4.150 -5.620 1.00 0.00 H new ATOM 0 HA THR A 82 -3.823 -2.089 -3.721 1.00 0.00 H new ATOM 0 HB THR A 82 -1.795 -3.475 -5.205 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.029 -5.149 -3.260 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.847 -3.871 -2.951 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.351 -2.180 -3.183 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.365 -3.288 -2.228 1.00 0.00 H new ATOM 1345 N SER A 83 -4.233 -1.935 -6.833 1.00 0.00 N ATOM 1346 CA SER A 83 -4.081 -1.083 -8.000 1.00 0.00 C ATOM 1347 C SER A 83 -4.811 0.242 -7.800 1.00 0.00 C ATOM 1348 O SER A 83 -5.195 0.911 -8.759 1.00 0.00 O ATOM 1349 CB SER A 83 -4.605 -1.775 -9.256 1.00 0.00 C ATOM 1350 OG SER A 83 -3.544 -2.159 -10.114 1.00 0.00 O ATOM 0 H SER A 83 -4.991 -2.615 -6.892 1.00 0.00 H new ATOM 0 HA SER A 83 -3.017 -0.886 -8.128 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.184 -2.654 -8.974 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.281 -1.105 -9.788 1.00 0.00 H new ATOM 0 HG SER A 83 -3.911 -2.572 -10.923 1.00 0.00 H new ATOM 1356 N ASN A 84 -4.975 0.611 -6.542 1.00 0.00 N ATOM 1357 CA ASN A 84 -5.630 1.849 -6.160 1.00 0.00 C ATOM 1358 C ASN A 84 -4.835 2.436 -5.021 1.00 0.00 C ATOM 1359 O ASN A 84 -4.470 3.612 -5.029 1.00 0.00 O ATOM 1360 CB ASN A 84 -7.078 1.597 -5.736 1.00 0.00 C ATOM 1361 CG ASN A 84 -7.966 2.805 -5.963 1.00 0.00 C ATOM 1362 OD1 ASN A 84 -8.128 3.268 -7.092 1.00 0.00 O ATOM 1363 ND2 ASN A 84 -8.545 3.324 -4.886 1.00 0.00 N ATOM 0 H ASN A 84 -4.654 0.054 -5.750 1.00 0.00 H new ATOM 0 HA ASN A 84 -5.665 2.538 -7.004 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -7.474 0.748 -6.293 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.103 1.325 -4.681 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -9.152 4.139 -4.976 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -8.383 2.908 -3.969 1.00 0.00 H new ATOM 1370 N LEU A 85 -4.511 1.571 -4.069 1.00 0.00 N ATOM 1371 CA LEU A 85 -3.689 1.957 -2.950 1.00 0.00 C ATOM 1372 C LEU A 85 -2.286 2.250 -3.474 1.00 0.00 C ATOM 1373 O LEU A 85 -1.496 2.926 -2.816 1.00 0.00 O ATOM 1374 CB LEU A 85 -3.662 0.839 -1.893 1.00 0.00 C ATOM 1375 CG LEU A 85 -2.369 0.724 -1.078 1.00 0.00 C ATOM 1376 CD1 LEU A 85 -2.645 0.075 0.270 1.00 0.00 C ATOM 1377 CD2 LEU A 85 -1.321 -0.067 -1.849 1.00 0.00 C ATOM 0 H LEU A 85 -4.810 0.596 -4.057 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.096 2.847 -2.470 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.491 0.997 -1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.840 -0.113 -2.393 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.981 1.727 -0.903 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.716 0.001 0.835 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.361 0.681 0.826 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.056 -0.923 0.116 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.410 -0.139 -1.255 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.700 -1.068 -2.055 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.102 0.439 -2.789 1.00 0.00 H new ATOM 1389 N ILE A 86 -1.989 1.742 -4.681 1.00 0.00 N ATOM 1390 CA ILE A 86 -0.692 1.965 -5.290 1.00 0.00 C ATOM 1391 C ILE A 86 -0.527 3.437 -5.656 1.00 0.00 C ATOM 1392 O ILE A 86 0.420 4.093 -5.224 1.00 0.00 O ATOM 1393 CB ILE A 86 -0.485 1.066 -6.540 1.00 0.00 C ATOM 1394 CG1 ILE A 86 0.476 -0.077 -6.212 1.00 0.00 C ATOM 1395 CG2 ILE A 86 0.036 1.863 -7.732 1.00 0.00 C ATOM 1396 CD1 ILE A 86 0.046 -0.908 -5.023 1.00 0.00 C ATOM 0 H ILE A 86 -2.631 1.181 -5.241 1.00 0.00 H new ATOM 0 HA ILE A 86 0.071 1.694 -4.560 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.456 0.656 -6.816 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.567 -0.725 -7.084 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.466 0.336 -6.017 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.167 1.198 -8.585 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.679 2.644 -7.988 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.993 2.317 -7.476 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.775 -1.699 -4.850 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.018 -0.273 -4.139 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.930 -1.351 -5.222 1.00 0.00 H new ATOM 1408 N ASN A 87 -1.465 3.949 -6.444 1.00 0.00 N ATOM 1409 CA ASN A 87 -1.433 5.345 -6.855 1.00 0.00 C ATOM 1410 C ASN A 87 -1.728 6.255 -5.667 1.00 0.00 C ATOM 1411 O ASN A 87 -1.370 7.431 -5.670 1.00 0.00 O ATOM 1412 CB ASN A 87 -2.448 5.595 -7.973 1.00 0.00 C ATOM 1413 CG ASN A 87 -2.396 7.019 -8.492 1.00 0.00 C ATOM 1414 OD1 ASN A 87 -1.461 7.766 -8.199 1.00 0.00 O ATOM 1415 ND2 ASN A 87 -3.402 7.402 -9.268 1.00 0.00 N ATOM 0 H ASN A 87 -2.255 3.418 -6.810 1.00 0.00 H new ATOM 0 HA ASN A 87 -0.435 5.571 -7.231 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.257 4.904 -8.794 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.451 5.382 -7.604 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.422 8.349 -9.648 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -4.156 6.750 -9.485 1.00 0.00 H new ATOM 1422 N LEU A 88 -2.384 5.698 -4.653 1.00 0.00 N ATOM 1423 CA LEU A 88 -2.728 6.453 -3.456 1.00 0.00 C ATOM 1424 C LEU A 88 -1.514 6.621 -2.550 1.00 0.00 C ATOM 1425 O LEU A 88 -1.358 7.651 -1.893 1.00 0.00 O ATOM 1426 CB LEU A 88 -3.854 5.753 -2.694 1.00 0.00 C ATOM 1427 CG LEU A 88 -4.607 6.634 -1.697 1.00 0.00 C ATOM 1428 CD1 LEU A 88 -5.748 7.364 -2.387 1.00 0.00 C ATOM 1429 CD2 LEU A 88 -5.131 5.798 -0.539 1.00 0.00 C ATOM 0 H LEU A 88 -2.688 4.724 -4.638 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.066 7.442 -3.765 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.568 5.356 -3.416 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.435 4.901 -2.158 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.914 7.376 -1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.273 7.986 -1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.349 7.992 -3.183 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.441 6.637 -2.811 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.664 6.441 0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.809 5.034 -0.919 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.295 5.320 -0.028 1.00 0.00 H new ATOM 1441 N LEU A 89 -0.653 5.606 -2.514 1.00 0.00 N ATOM 1442 CA LEU A 89 0.543 5.660 -1.682 1.00 0.00 C ATOM 1443 C LEU A 89 1.632 6.490 -2.354 1.00 0.00 C ATOM 1444 O LEU A 89 2.431 7.143 -1.683 1.00 0.00 O ATOM 1445 CB LEU A 89 1.055 4.248 -1.391 1.00 0.00 C ATOM 1446 CG LEU A 89 1.060 3.861 0.087 1.00 0.00 C ATOM 1447 CD1 LEU A 89 -0.353 3.883 0.648 1.00 0.00 C ATOM 1448 CD2 LEU A 89 1.692 2.491 0.280 1.00 0.00 C ATOM 0 H LEU A 89 -0.761 4.743 -3.047 1.00 0.00 H new ATOM 0 HA LEU A 89 0.281 6.138 -0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.439 3.533 -1.937 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.069 4.157 -1.780 1.00 0.00 H new ATOM 0 HG LEU A 89 1.657 4.592 0.632 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.331 3.605 1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.769 4.885 0.546 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.974 3.175 0.099 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.686 2.234 1.339 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.124 1.746 -0.278 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.720 2.510 -0.083 1.00 0.00 H new ATOM 1460 N ALA A 90 1.654 6.459 -3.679 1.00 0.00 N ATOM 1461 CA ALA A 90 2.643 7.208 -4.447 1.00 0.00 C ATOM 1462 C ALA A 90 2.158 8.622 -4.761 1.00 0.00 C ATOM 1463 O ALA A 90 2.913 9.438 -5.291 1.00 0.00 O ATOM 1464 CB ALA A 90 2.980 6.467 -5.731 1.00 0.00 C ATOM 0 H ALA A 90 0.998 5.923 -4.247 1.00 0.00 H new ATOM 0 HA ALA A 90 3.543 7.295 -3.838 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.719 7.035 -6.296 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.386 5.485 -5.488 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.077 6.349 -6.331 1.00 0.00 H new ATOM 1470 N GLU A 91 0.900 8.913 -4.436 1.00 0.00 N ATOM 1471 CA GLU A 91 0.335 10.234 -4.694 1.00 0.00 C ATOM 1472 C GLU A 91 0.238 11.046 -3.406 1.00 0.00 C ATOM 1473 O GLU A 91 0.869 12.094 -3.273 1.00 0.00 O ATOM 1474 CB GLU A 91 -1.048 10.107 -5.334 1.00 0.00 C ATOM 1475 CG GLU A 91 -1.698 11.445 -5.650 1.00 0.00 C ATOM 1476 CD GLU A 91 -3.136 11.300 -6.108 1.00 0.00 C ATOM 1477 OE1 GLU A 91 -3.446 10.297 -6.783 1.00 0.00 O ATOM 1478 OE2 GLU A 91 -3.953 12.191 -5.792 1.00 0.00 O ATOM 0 H GLU A 91 0.256 8.255 -3.996 1.00 0.00 H new ATOM 0 HA GLU A 91 0.999 10.755 -5.383 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.962 9.528 -6.254 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.699 9.546 -4.664 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.665 12.079 -4.764 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.123 11.950 -6.426 1.00 0.00 H new ATOM 1485 N ASN A 92 -0.556 10.555 -2.460 1.00 0.00 N ATOM 1486 CA ASN A 92 -0.737 11.235 -1.182 1.00 0.00 C ATOM 1487 C ASN A 92 0.605 11.477 -0.494 1.00 0.00 C ATOM 1488 O ASN A 92 0.733 12.378 0.334 1.00 0.00 O ATOM 1489 CB ASN A 92 -1.649 10.415 -0.269 1.00 0.00 C ATOM 1490 CG ASN A 92 -3.118 10.707 -0.507 1.00 0.00 C ATOM 1491 OD1 ASN A 92 -3.833 9.906 -1.109 1.00 0.00 O ATOM 1492 ND2 ASN A 92 -3.576 11.860 -0.034 1.00 0.00 N ATOM 0 H ASN A 92 -1.085 9.688 -2.554 1.00 0.00 H new ATOM 0 HA ASN A 92 -1.202 12.201 -1.378 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.461 9.354 -0.431 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.403 10.627 0.771 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -4.556 12.111 -0.164 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -2.948 12.494 0.459 1.00 0.00 H new ATOM 1499 N GLY A 93 1.601 10.668 -0.842 1.00 0.00 N ATOM 1500 CA GLY A 93 2.915 10.812 -0.245 1.00 0.00 C ATOM 1501 C GLY A 93 3.047 10.037 1.049 1.00 0.00 C ATOM 1502 O GLY A 93 3.759 10.456 1.963 1.00 0.00 O ATOM 0 H GLY A 93 1.521 9.916 -1.526 1.00 0.00 H new ATOM 0 HA2 GLY A 93 3.672 10.468 -0.950 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.112 11.867 -0.055 1.00 0.00 H new ATOM 1506 N ARG A 94 2.359 8.903 1.129 1.00 0.00 N ATOM 1507 CA ARG A 94 2.401 8.065 2.321 1.00 0.00 C ATOM 1508 C ARG A 94 3.390 6.918 2.150 1.00 0.00 C ATOM 1509 O ARG A 94 3.197 5.832 2.696 1.00 0.00 O ATOM 1510 CB ARG A 94 1.008 7.512 2.629 1.00 0.00 C ATOM 1511 CG ARG A 94 0.857 6.996 4.051 1.00 0.00 C ATOM 1512 CD ARG A 94 0.866 8.131 5.063 1.00 0.00 C ATOM 1513 NE ARG A 94 -0.441 8.777 5.177 1.00 0.00 N ATOM 1514 CZ ARG A 94 -0.824 9.822 4.445 1.00 0.00 C ATOM 1515 NH1 ARG A 94 -0.010 10.342 3.535 1.00 0.00 N ATOM 1516 NH2 ARG A 94 -2.029 10.346 4.622 1.00 0.00 N ATOM 0 H ARG A 94 1.765 8.543 0.382 1.00 0.00 H new ATOM 0 HA ARG A 94 2.734 8.682 3.155 1.00 0.00 H new ATOM 0 HB2 ARG A 94 0.269 8.295 2.455 1.00 0.00 H new ATOM 0 HB3 ARG A 94 0.785 6.703 1.933 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.075 6.437 4.139 1.00 0.00 H new ATOM 0 HG3 ARG A 94 1.667 6.302 4.275 1.00 0.00 H new ATOM 0 HD2 ARG A 94 1.165 7.745 6.037 1.00 0.00 H new ATOM 0 HD3 ARG A 94 1.611 8.871 4.771 1.00 0.00 H new ATOM 0 HE ARG A 94 -1.101 8.404 5.860 1.00 0.00 H new ATOM 0 HH11 ARG A 94 0.917 9.941 3.392 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -0.311 11.142 2.979 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -2.661 9.949 5.318 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -2.324 11.146 4.063 1.00 0.00 H new ATOM 1530 N LEU A 95 4.454 7.165 1.390 1.00 0.00 N ATOM 1531 CA LEU A 95 5.474 6.150 1.152 1.00 0.00 C ATOM 1532 C LEU A 95 6.657 6.338 2.095 1.00 0.00 C ATOM 1533 O LEU A 95 7.785 5.964 1.776 1.00 0.00 O ATOM 1534 CB LEU A 95 5.947 6.200 -0.302 1.00 0.00 C ATOM 1535 CG LEU A 95 5.069 5.435 -1.295 1.00 0.00 C ATOM 1536 CD1 LEU A 95 5.418 5.823 -2.724 1.00 0.00 C ATOM 1537 CD2 LEU A 95 5.222 3.934 -1.095 1.00 0.00 C ATOM 0 H LEU A 95 4.631 8.058 0.930 1.00 0.00 H new ATOM 0 HA LEU A 95 5.031 5.173 1.345 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.000 7.243 -0.615 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.960 5.800 -0.353 1.00 0.00 H new ATOM 0 HG LEU A 95 4.028 5.701 -1.112 1.00 0.00 H new ATOM 0 HD11 LEU A 95 4.784 5.269 -3.417 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.257 6.892 -2.860 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.464 5.586 -2.920 1.00 0.00 H new ATOM 0 HD21 LEU A 95 4.591 3.406 -1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.263 3.650 -1.251 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.922 3.670 -0.081 1.00 0.00 H new ATOM 1549 N THR A 96 6.388 6.910 3.263 1.00 0.00 N ATOM 1550 CA THR A 96 7.422 7.139 4.264 1.00 0.00 C ATOM 1551 C THR A 96 7.137 6.303 5.503 1.00 0.00 C ATOM 1552 O THR A 96 8.047 5.756 6.126 1.00 0.00 O ATOM 1553 CB THR A 96 7.491 8.621 4.633 1.00 0.00 C ATOM 1554 OG1 THR A 96 6.445 8.965 5.525 1.00 0.00 O ATOM 1555 CG2 THR A 96 7.393 9.540 3.434 1.00 0.00 C ATOM 0 H THR A 96 5.458 7.225 3.540 1.00 0.00 H new ATOM 0 HA THR A 96 8.384 6.842 3.847 1.00 0.00 H new ATOM 0 HB THR A 96 8.467 8.759 5.098 1.00 0.00 H new ATOM 0 HG1 THR A 96 6.773 8.918 6.447 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.448 10.577 3.765 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.215 9.333 2.749 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.445 9.372 2.924 1.00 0.00 H new ATOM 1563 N ASN A 97 5.857 6.201 5.843 1.00 0.00 N ATOM 1564 CA ASN A 97 5.424 5.424 6.993 1.00 0.00 C ATOM 1565 C ASN A 97 4.387 4.389 6.568 1.00 0.00 C ATOM 1566 O ASN A 97 3.509 4.017 7.346 1.00 0.00 O ATOM 1567 CB ASN A 97 4.836 6.342 8.066 1.00 0.00 C ATOM 1568 CG ASN A 97 5.887 7.220 8.717 1.00 0.00 C ATOM 1569 OD1 ASN A 97 6.262 8.297 8.037 1.00 0.00 O flip ATOM 1570 ND2 ASN A 97 6.359 6.932 9.817 1.00 0.00 N flip ATOM 0 H ASN A 97 5.098 6.651 5.332 1.00 0.00 H new ATOM 0 HA ASN A 97 6.290 4.909 7.409 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.067 6.972 7.619 1.00 0.00 H new ATOM 0 HB3 ASN A 97 4.348 5.737 8.830 1.00 0.00 H new ATOM 0 HD21 ASN A 97 6.042 6.094 10.305 1.00 0.00 H new ATOM 0 HD22 ASN A 97 7.067 7.531 10.241 1.00 0.00 H new ATOM 1577 N THR A 98 4.493 3.935 5.321 1.00 0.00 N ATOM 1578 CA THR A 98 3.561 2.949 4.786 1.00 0.00 C ATOM 1579 C THR A 98 3.627 1.613 5.536 1.00 0.00 C ATOM 1580 O THR A 98 2.616 0.919 5.638 1.00 0.00 O ATOM 1581 CB THR A 98 3.804 2.722 3.290 1.00 0.00 C ATOM 1582 OG1 THR A 98 2.986 1.668 2.810 1.00 0.00 O ATOM 1583 CG2 THR A 98 5.238 2.381 2.948 1.00 0.00 C ATOM 0 H THR A 98 5.214 4.234 4.664 1.00 0.00 H new ATOM 0 HA THR A 98 2.561 3.357 4.929 1.00 0.00 H new ATOM 0 HB THR A 98 3.558 3.671 2.814 1.00 0.00 H new ATOM 0 HG1 THR A 98 3.383 1.289 1.998 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.331 2.235 1.872 1.00 0.00 H new ATOM 0 HG22 THR A 98 5.890 3.196 3.261 1.00 0.00 H new ATOM 0 HG23 THR A 98 5.528 1.466 3.465 1.00 0.00 H new ATOM 1591 N PRO A 99 4.802 1.217 6.074 1.00 0.00 N ATOM 1592 CA PRO A 99 4.928 -0.052 6.803 1.00 0.00 C ATOM 1593 C PRO A 99 3.900 -0.176 7.923 1.00 0.00 C ATOM 1594 O PRO A 99 3.553 -1.280 8.340 1.00 0.00 O ATOM 1595 CB PRO A 99 6.346 -0.002 7.373 1.00 0.00 C ATOM 1596 CG PRO A 99 7.083 0.911 6.458 1.00 0.00 C ATOM 1597 CD PRO A 99 6.085 1.947 6.029 1.00 0.00 C ATOM 0 HA PRO A 99 4.751 -0.913 6.158 1.00 0.00 H new ATOM 0 HB2 PRO A 99 6.350 0.374 8.396 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.800 -0.993 7.396 1.00 0.00 H new ATOM 0 HG2 PRO A 99 7.932 1.371 6.964 1.00 0.00 H new ATOM 0 HG3 PRO A 99 7.479 0.369 5.599 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.083 2.807 6.699 1.00 0.00 H new ATOM 0 HD3 PRO A 99 6.300 2.323 5.029 1.00 0.00 H new ATOM 1605 N ALA A 100 3.412 0.965 8.400 1.00 0.00 N ATOM 1606 CA ALA A 100 2.420 0.982 9.465 1.00 0.00 C ATOM 1607 C ALA A 100 1.037 0.639 8.922 1.00 0.00 C ATOM 1608 O ALA A 100 0.199 0.084 9.633 1.00 0.00 O ATOM 1609 CB ALA A 100 2.399 2.341 10.147 1.00 0.00 C ATOM 0 H ALA A 100 3.688 1.888 8.065 1.00 0.00 H new ATOM 0 HA ALA A 100 2.695 0.226 10.200 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.652 2.338 10.941 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.381 2.550 10.573 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.149 3.111 9.417 1.00 0.00 H new ATOM 1615 N VAL A 101 0.805 0.970 7.654 1.00 0.00 N ATOM 1616 CA VAL A 101 -0.475 0.693 7.015 1.00 0.00 C ATOM 1617 C VAL A 101 -0.635 -0.796 6.728 1.00 0.00 C ATOM 1618 O VAL A 101 -1.751 -1.312 6.680 1.00 0.00 O ATOM 1619 CB VAL A 101 -0.625 1.477 5.699 1.00 0.00 C ATOM 1620 CG1 VAL A 101 -2.036 1.334 5.149 1.00 0.00 C ATOM 1621 CG2 VAL A 101 -0.273 2.942 5.907 1.00 0.00 C ATOM 0 H VAL A 101 1.487 1.430 7.051 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.252 1.011 7.710 1.00 0.00 H new ATOM 0 HB VAL A 101 0.069 1.060 4.969 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.122 1.895 4.219 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.248 0.282 4.959 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.750 1.723 5.875 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.385 3.480 4.966 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.940 3.374 6.653 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.758 3.023 6.251 1.00 0.00 H new ATOM 1631 N ILE A 102 0.488 -1.483 6.535 1.00 0.00 N ATOM 1632 CA ILE A 102 0.468 -2.913 6.252 1.00 0.00 C ATOM 1633 C ILE A 102 0.179 -3.720 7.514 1.00 0.00 C ATOM 1634 O ILE A 102 -0.617 -4.658 7.492 1.00 0.00 O ATOM 1635 CB ILE A 102 1.806 -3.385 5.649 1.00 0.00 C ATOM 1636 CG1 ILE A 102 2.218 -2.477 4.489 1.00 0.00 C ATOM 1637 CG2 ILE A 102 1.696 -4.830 5.185 1.00 0.00 C ATOM 1638 CD1 ILE A 102 3.672 -2.621 4.096 1.00 0.00 C ATOM 0 H ILE A 102 1.421 -1.072 6.570 1.00 0.00 H new ATOM 0 HA ILE A 102 -0.328 -3.081 5.527 1.00 0.00 H new ATOM 0 HB ILE A 102 2.575 -3.328 6.419 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.593 -2.699 3.624 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.025 -1.440 4.764 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.648 -5.150 4.761 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.444 -5.466 6.033 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.917 -4.910 4.427 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.893 -1.948 3.268 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.305 -2.370 4.947 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.866 -3.649 3.790 1.00 0.00 H new ATOM 1650 N SER A 103 0.832 -3.351 8.611 1.00 0.00 N ATOM 1651 CA SER A 103 0.644 -4.043 9.881 1.00 0.00 C ATOM 1652 C SER A 103 -0.784 -3.874 10.387 1.00 0.00 C ATOM 1653 O SER A 103 -1.454 -4.851 10.719 1.00 0.00 O ATOM 1654 CB SER A 103 1.635 -3.523 10.924 1.00 0.00 C ATOM 1655 OG SER A 103 1.605 -4.317 12.097 1.00 0.00 O ATOM 0 H SER A 103 1.496 -2.577 8.646 1.00 0.00 H new ATOM 0 HA SER A 103 0.828 -5.105 9.717 1.00 0.00 H new ATOM 0 HB2 SER A 103 2.642 -3.524 10.506 1.00 0.00 H new ATOM 0 HB3 SER A 103 1.395 -2.490 11.174 1.00 0.00 H new ATOM 0 HG SER A 103 2.248 -3.965 12.747 1.00 0.00 H new ATOM 1661 N ALA A 104 -1.248 -2.629 10.438 1.00 0.00 N ATOM 1662 CA ALA A 104 -2.602 -2.341 10.897 1.00 0.00 C ATOM 1663 C ALA A 104 -3.625 -3.112 10.071 1.00 0.00 C ATOM 1664 O ALA A 104 -4.721 -3.416 10.543 1.00 0.00 O ATOM 1665 CB ALA A 104 -2.878 -0.847 10.826 1.00 0.00 C ATOM 0 H ALA A 104 -0.708 -1.807 10.168 1.00 0.00 H new ATOM 0 HA ALA A 104 -2.689 -2.662 11.935 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -3.892 -0.648 11.172 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -2.168 -0.315 11.459 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -2.772 -0.506 9.796 1.00 0.00 H new ATOM 1671 N PHE A 105 -3.253 -3.431 8.836 1.00 0.00 N ATOM 1672 CA PHE A 105 -4.128 -4.171 7.937 1.00 0.00 C ATOM 1673 C PHE A 105 -4.463 -5.542 8.510 1.00 0.00 C ATOM 1674 O PHE A 105 -5.606 -5.994 8.441 1.00 0.00 O ATOM 1675 CB PHE A 105 -3.459 -4.332 6.572 1.00 0.00 C ATOM 1676 CG PHE A 105 -4.395 -4.790 5.493 1.00 0.00 C ATOM 1677 CD1 PHE A 105 -4.865 -6.093 5.470 1.00 0.00 C ATOM 1678 CD2 PHE A 105 -4.804 -3.919 4.502 1.00 0.00 C ATOM 1679 CE1 PHE A 105 -5.725 -6.512 4.478 1.00 0.00 C ATOM 1680 CE2 PHE A 105 -5.663 -4.332 3.507 1.00 0.00 C ATOM 1681 CZ PHE A 105 -6.125 -5.631 3.495 1.00 0.00 C ATOM 0 H PHE A 105 -2.348 -3.187 8.434 1.00 0.00 H new ATOM 0 HA PHE A 105 -5.054 -3.608 7.823 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -3.018 -3.379 6.278 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.642 -5.048 6.660 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -4.554 -6.787 6.237 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.446 -2.900 4.507 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -6.086 -7.530 4.470 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -5.974 -3.640 2.738 1.00 0.00 H new ATOM 0 HZ PHE A 105 -6.799 -5.958 2.717 1.00 0.00 H new ATOM 1691 N SER A 106 -3.457 -6.204 9.072 1.00 0.00 N ATOM 1692 CA SER A 106 -3.645 -7.528 9.652 1.00 0.00 C ATOM 1693 C SER A 106 -4.664 -7.492 10.786 1.00 0.00 C ATOM 1694 O SER A 106 -5.562 -8.332 10.852 1.00 0.00 O ATOM 1695 CB SER A 106 -2.311 -8.077 10.163 1.00 0.00 C ATOM 1696 OG SER A 106 -2.026 -7.597 11.466 1.00 0.00 O ATOM 0 H SER A 106 -2.504 -5.845 9.138 1.00 0.00 H new ATOM 0 HA SER A 106 -4.027 -8.186 8.872 1.00 0.00 H new ATOM 0 HB2 SER A 106 -2.343 -9.167 10.172 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.510 -7.787 9.482 1.00 0.00 H new ATOM 0 HG SER A 106 -1.814 -6.641 11.423 1.00 0.00 H new ATOM 1702 N THR A 107 -4.520 -6.518 11.679 1.00 0.00 N ATOM 1703 CA THR A 107 -5.431 -6.383 12.810 1.00 0.00 C ATOM 1704 C THR A 107 -6.812 -5.948 12.347 1.00 0.00 C ATOM 1705 O THR A 107 -7.824 -6.443 12.844 1.00 0.00 O ATOM 1706 CB THR A 107 -4.876 -5.386 13.829 1.00 0.00 C ATOM 1707 OG1 THR A 107 -3.584 -5.775 14.258 1.00 0.00 O ATOM 1708 CG2 THR A 107 -5.746 -5.243 15.059 1.00 0.00 C ATOM 0 H THR A 107 -3.784 -5.813 11.642 1.00 0.00 H new ATOM 0 HA THR A 107 -5.522 -7.359 13.288 1.00 0.00 H new ATOM 0 HB THR A 107 -4.847 -4.427 13.311 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.245 -5.124 14.908 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.296 -4.522 15.741 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.737 -4.896 14.766 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.833 -6.208 15.558 1.00 0.00 H new ATOM 1716 N MET A 108 -6.859 -5.035 11.384 1.00 0.00 N ATOM 1717 CA MET A 108 -8.129 -4.572 10.863 1.00 0.00 C ATOM 1718 C MET A 108 -8.778 -5.670 10.030 1.00 0.00 C ATOM 1719 O MET A 108 -9.991 -5.678 9.823 1.00 0.00 O ATOM 1720 CB MET A 108 -7.934 -3.311 10.025 1.00 0.00 C ATOM 1721 CG MET A 108 -7.882 -2.032 10.849 1.00 0.00 C ATOM 1722 SD MET A 108 -6.712 -2.124 12.219 1.00 0.00 S ATOM 1723 CE MET A 108 -7.192 -0.686 13.172 1.00 0.00 C ATOM 0 H MET A 108 -6.038 -4.607 10.955 1.00 0.00 H new ATOM 0 HA MET A 108 -8.785 -4.329 11.698 1.00 0.00 H new ATOM 0 HB2 MET A 108 -7.010 -3.403 9.455 1.00 0.00 H new ATOM 0 HB3 MET A 108 -8.747 -3.235 9.303 1.00 0.00 H new ATOM 0 HG2 MET A 108 -7.609 -1.199 10.201 1.00 0.00 H new ATOM 0 HG3 MET A 108 -8.876 -1.818 11.241 1.00 0.00 H new ATOM 0 HE1 MET A 108 -6.558 -0.606 14.055 1.00 0.00 H new ATOM 0 HE2 MET A 108 -7.078 0.210 12.561 1.00 0.00 H new ATOM 0 HE3 MET A 108 -8.233 -0.785 13.481 1.00 0.00 H new ATOM 1733 N MET A 109 -7.953 -6.609 9.565 1.00 0.00 N ATOM 1734 CA MET A 109 -8.433 -7.727 8.768 1.00 0.00 C ATOM 1735 C MET A 109 -9.139 -8.757 9.649 1.00 0.00 C ATOM 1736 O MET A 109 -9.783 -9.669 9.142 1.00 0.00 O ATOM 1737 CB MET A 109 -7.267 -8.384 8.025 1.00 0.00 C ATOM 1738 CG MET A 109 -7.660 -9.626 7.240 1.00 0.00 C ATOM 1739 SD MET A 109 -6.278 -10.338 6.328 1.00 0.00 S ATOM 1740 CE MET A 109 -6.321 -12.030 6.912 1.00 0.00 C ATOM 0 H MET A 109 -6.946 -6.613 9.730 1.00 0.00 H new ATOM 0 HA MET A 109 -9.150 -7.346 8.041 1.00 0.00 H new ATOM 0 HB2 MET A 109 -6.829 -7.657 7.341 1.00 0.00 H new ATOM 0 HB3 MET A 109 -6.494 -8.651 8.745 1.00 0.00 H new ATOM 0 HG2 MET A 109 -8.061 -10.373 7.926 1.00 0.00 H new ATOM 0 HG3 MET A 109 -8.458 -9.373 6.543 1.00 0.00 H new ATOM 0 HE1 MET A 109 -5.523 -12.599 6.436 1.00 0.00 H new ATOM 0 HE2 MET A 109 -6.183 -12.045 7.993 1.00 0.00 H new ATOM 0 HE3 MET A 109 -7.283 -12.477 6.663 1.00 0.00 H new ATOM 1750 N SER A 110 -9.015 -8.613 10.968 1.00 0.00 N ATOM 1751 CA SER A 110 -9.658 -9.544 11.889 1.00 0.00 C ATOM 1752 C SER A 110 -10.989 -8.988 12.384 1.00 0.00 C ATOM 1753 O SER A 110 -11.858 -9.742 12.826 1.00 0.00 O ATOM 1754 CB SER A 110 -8.739 -9.845 13.075 1.00 0.00 C ATOM 1755 OG SER A 110 -7.642 -10.650 12.679 1.00 0.00 O ATOM 0 H SER A 110 -8.481 -7.869 11.417 1.00 0.00 H new ATOM 0 HA SER A 110 -9.852 -10.471 11.350 1.00 0.00 H new ATOM 0 HB2 SER A 110 -8.373 -8.911 13.502 1.00 0.00 H new ATOM 0 HB3 SER A 110 -9.304 -10.353 13.857 1.00 0.00 H new ATOM 0 HG SER A 110 -7.069 -10.827 13.454 1.00 0.00 H new ATOM 1761 N VAL A 111 -11.150 -7.673 12.300 1.00 0.00 N ATOM 1762 CA VAL A 111 -12.384 -7.031 12.733 1.00 0.00 C ATOM 1763 C VAL A 111 -13.476 -7.170 11.674 1.00 0.00 C ATOM 1764 O VAL A 111 -14.656 -6.967 11.959 1.00 0.00 O ATOM 1765 CB VAL A 111 -12.167 -5.536 13.044 1.00 0.00 C ATOM 1766 CG1 VAL A 111 -11.753 -4.776 11.792 1.00 0.00 C ATOM 1767 CG2 VAL A 111 -13.423 -4.932 13.655 1.00 0.00 C ATOM 0 H VAL A 111 -10.444 -7.033 11.937 1.00 0.00 H new ATOM 0 HA VAL A 111 -12.700 -7.537 13.645 1.00 0.00 H new ATOM 0 HB VAL A 111 -11.358 -5.451 13.770 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -11.606 -3.724 12.037 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -10.823 -5.192 11.405 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -12.533 -4.867 11.036 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -13.253 -3.877 13.868 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -14.252 -5.031 12.955 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -13.665 -5.455 14.580 1.00 0.00 H new ATOM 1777 N HIS A 112 -13.078 -7.518 10.451 1.00 0.00 N ATOM 1778 CA HIS A 112 -14.023 -7.682 9.362 1.00 0.00 C ATOM 1779 C HIS A 112 -14.788 -8.995 9.500 1.00 0.00 C ATOM 1780 O HIS A 112 -15.912 -9.123 9.016 1.00 0.00 O ATOM 1781 CB HIS A 112 -13.283 -7.636 8.027 1.00 0.00 C ATOM 1782 CG HIS A 112 -12.725 -8.954 7.594 1.00 0.00 C ATOM 1783 ND1 HIS A 112 -12.096 -9.832 8.447 1.00 0.00 N ATOM 1784 CD2 HIS A 112 -12.719 -9.542 6.385 1.00 0.00 C ATOM 1785 CE1 HIS A 112 -11.727 -10.908 7.773 1.00 0.00 C ATOM 1786 NE2 HIS A 112 -12.095 -10.756 6.517 1.00 0.00 N ATOM 0 H HIS A 112 -12.106 -7.691 10.196 1.00 0.00 H new ATOM 0 HA HIS A 112 -14.745 -6.866 9.400 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -13.964 -7.272 7.258 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -12.469 -6.915 8.099 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -13.131 -9.132 5.475 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -11.212 -11.765 8.182 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -11.941 -11.430 5.767 1.00 0.00 H new ATOM 1795 N ARG A 113 -14.167 -9.973 10.158 1.00 0.00 N ATOM 1796 CA ARG A 113 -14.793 -11.274 10.347 1.00 0.00 C ATOM 1797 C ARG A 113 -16.008 -11.164 11.263 1.00 0.00 C ATOM 1798 O ARG A 113 -17.015 -11.842 11.059 1.00 0.00 O ATOM 1799 CB ARG A 113 -13.787 -12.269 10.928 1.00 0.00 C ATOM 1800 CG ARG A 113 -13.989 -13.693 10.439 1.00 0.00 C ATOM 1801 CD ARG A 113 -13.104 -14.001 9.242 1.00 0.00 C ATOM 1802 NE ARG A 113 -11.696 -14.112 9.615 1.00 0.00 N ATOM 1803 CZ ARG A 113 -11.190 -15.130 10.308 1.00 0.00 C ATOM 1804 NH1 ARG A 113 -11.974 -16.125 10.705 1.00 0.00 N ATOM 1805 NH2 ARG A 113 -9.899 -15.153 10.606 1.00 0.00 N ATOM 0 H ARG A 113 -13.236 -9.887 10.566 1.00 0.00 H new ATOM 0 HA ARG A 113 -15.126 -11.635 9.374 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -12.778 -11.945 10.671 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -13.860 -12.253 12.015 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -13.767 -14.391 11.246 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -15.034 -13.841 10.168 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -13.431 -14.933 8.780 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -13.220 -13.216 8.494 1.00 0.00 H new ATOM 0 HE ARG A 113 -11.063 -13.366 9.328 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -12.969 -16.112 10.479 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -11.582 -16.903 11.236 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -9.292 -14.390 10.304 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -9.512 -15.933 11.137 1.00 0.00 H new ATOM 1819 N GLY A 114 -15.904 -10.306 12.273 1.00 0.00 N ATOM 1820 CA GLY A 114 -17.001 -10.123 13.205 1.00 0.00 C ATOM 1821 C GLY A 114 -17.972 -9.049 12.756 1.00 0.00 C ATOM 1822 O GLY A 114 -19.160 -9.103 13.076 1.00 0.00 O ATOM 0 H GLY A 114 -15.080 -9.735 12.462 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -17.536 -11.066 13.321 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -16.601 -9.860 14.184 1.00 0.00 H new ATOM 1826 N GLU A 115 -17.465 -8.070 12.014 1.00 0.00 N ATOM 1827 CA GLU A 115 -18.295 -6.978 11.520 1.00 0.00 C ATOM 1828 C GLU A 115 -19.199 -7.451 10.386 1.00 0.00 C ATOM 1829 O GLU A 115 -20.312 -6.953 10.217 1.00 0.00 O ATOM 1830 CB GLU A 115 -17.418 -5.820 11.040 1.00 0.00 C ATOM 1831 CG GLU A 115 -17.043 -4.843 12.142 1.00 0.00 C ATOM 1832 CD GLU A 115 -17.898 -3.592 12.129 1.00 0.00 C ATOM 1833 OE1 GLU A 115 -17.786 -2.805 11.166 1.00 0.00 O ATOM 1834 OE2 GLU A 115 -18.681 -3.398 13.083 1.00 0.00 O ATOM 0 H GLU A 115 -16.484 -8.011 11.742 1.00 0.00 H new ATOM 0 HA GLU A 115 -18.923 -6.633 12.341 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -16.507 -6.224 10.599 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -17.942 -5.281 10.251 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -17.143 -5.336 13.109 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -15.995 -4.563 12.033 1.00 0.00 H new ATOM 1841 N VAL A 116 -18.713 -8.416 9.613 1.00 0.00 N ATOM 1842 CA VAL A 116 -19.476 -8.957 8.494 1.00 0.00 C ATOM 1843 C VAL A 116 -19.839 -10.420 8.734 1.00 0.00 C ATOM 1844 O VAL A 116 -19.111 -11.324 8.321 1.00 0.00 O ATOM 1845 CB VAL A 116 -18.694 -8.844 7.172 1.00 0.00 C ATOM 1846 CG1 VAL A 116 -19.576 -9.226 5.994 1.00 0.00 C ATOM 1847 CG2 VAL A 116 -18.139 -7.438 6.999 1.00 0.00 C ATOM 0 H VAL A 116 -17.794 -8.840 9.741 1.00 0.00 H new ATOM 0 HA VAL A 116 -20.388 -8.365 8.418 1.00 0.00 H new ATOM 0 HB VAL A 116 -17.855 -9.539 7.207 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -19.005 -9.140 5.069 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -19.919 -10.254 6.114 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -20.437 -8.559 5.953 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -17.590 -7.377 6.060 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -18.960 -6.722 6.986 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -17.469 -7.207 7.827 1.00 0.00 H new ATOM 1857 N PRO A 117 -20.975 -10.673 9.405 1.00 0.00 N ATOM 1858 CA PRO A 117 -21.433 -12.036 9.698 1.00 0.00 C ATOM 1859 C PRO A 117 -21.481 -12.911 8.450 1.00 0.00 C ATOM 1860 O PRO A 117 -21.670 -12.415 7.339 1.00 0.00 O ATOM 1861 CB PRO A 117 -22.841 -11.826 10.258 1.00 0.00 C ATOM 1862 CG PRO A 117 -22.826 -10.445 10.814 1.00 0.00 C ATOM 1863 CD PRO A 117 -21.902 -9.653 9.931 1.00 0.00 C ATOM 0 HA PRO A 117 -20.761 -12.553 10.383 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -23.596 -11.931 9.479 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -23.074 -12.561 11.029 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -23.827 -10.015 10.817 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -22.476 -10.444 11.846 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -22.444 -9.151 9.130 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -21.374 -8.881 10.491 1.00 0.00 H new ATOM 1871 N CYS A 118 -21.309 -14.215 8.640 1.00 0.00 N ATOM 1872 CA CYS A 118 -21.333 -15.159 7.529 1.00 0.00 C ATOM 1873 C CYS A 118 -22.166 -16.389 7.879 1.00 0.00 C ATOM 1874 O CYS A 118 -22.434 -16.657 9.050 1.00 0.00 O ATOM 1875 CB CYS A 118 -19.911 -15.581 7.161 1.00 0.00 C ATOM 1876 SG CYS A 118 -19.661 -15.869 5.394 1.00 0.00 S ATOM 0 H CYS A 118 -21.152 -14.642 9.553 1.00 0.00 H new ATOM 0 HA CYS A 118 -21.791 -14.663 6.673 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -19.217 -14.810 7.494 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -19.661 -16.492 7.706 1.00 0.00 H new ATOM 0 HG CYS A 118 -18.427 -16.219 5.182 1.00 0.00 H new ATOM 1882 N THR A 119 -22.573 -17.133 6.855 1.00 0.00 N ATOM 1883 CA THR A 119 -23.375 -18.334 7.053 1.00 0.00 C ATOM 1884 C THR A 119 -22.913 -19.455 6.128 1.00 0.00 C ATOM 1885 O THR A 119 -22.643 -20.570 6.575 1.00 0.00 O ATOM 1886 CB THR A 119 -24.854 -18.031 6.810 1.00 0.00 C ATOM 1887 OG1 THR A 119 -25.025 -17.313 5.600 1.00 0.00 O ATOM 1888 CG2 THR A 119 -25.490 -17.221 7.918 1.00 0.00 C ATOM 0 H THR A 119 -22.360 -16.925 5.879 1.00 0.00 H new ATOM 0 HA THR A 119 -23.244 -18.662 8.084 1.00 0.00 H new ATOM 0 HB THR A 119 -25.345 -19.003 6.767 1.00 0.00 H new ATOM 0 HG1 THR A 119 -25.977 -17.130 5.460 1.00 0.00 H new ATOM 0 HG21 THR A 119 -26.539 -17.042 7.682 1.00 0.00 H new ATOM 0 HG22 THR A 119 -25.418 -17.770 8.857 1.00 0.00 H new ATOM 0 HG23 THR A 119 -24.972 -16.267 8.015 1.00 0.00 H new ATOM 1896 N VAL A 120 -22.827 -19.152 4.838 1.00 0.00 N ATOM 1897 CA VAL A 120 -22.399 -20.134 3.849 1.00 0.00 C ATOM 1898 C VAL A 120 -20.913 -19.989 3.539 1.00 0.00 C ATOM 1899 O VAL A 120 -20.196 -21.011 3.592 1.00 0.00 O ATOM 1900 CB VAL A 120 -23.200 -20.000 2.540 1.00 0.00 C ATOM 1901 CG1 VAL A 120 -22.883 -21.152 1.599 1.00 0.00 C ATOM 1902 CG2 VAL A 120 -24.691 -19.935 2.831 1.00 0.00 C ATOM 1903 OXT VAL A 120 -20.478 -18.856 3.244 1.00 0.00 O ATOM 0 H VAL A 120 -23.048 -18.234 4.452 1.00 0.00 H new ATOM 0 HA VAL A 120 -22.584 -21.118 4.280 1.00 0.00 H new ATOM 0 HB VAL A 120 -22.908 -19.071 2.051 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -23.458 -21.040 0.680 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -21.819 -21.147 1.364 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -23.145 -22.096 2.078 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -25.241 -19.840 1.895 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -25.002 -20.845 3.344 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -24.901 -19.073 3.464 1.00 0.00 H new TER 1913 VAL A 120