USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 825 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 56 THR OG1 : rot -60:sc= -3.5! USER MOD Set 1.2: A 77 LYS NZ :NH3+ 160:sc= 0.906 (180deg=-0.337) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 150:sc= -0.715 (180deg=-3.08!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 148:sc= -0.856! USER MOD Single : A 14 SER OG : rot 180:sc= -1.36! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot -172:sc= -3.5! USER MOD Single : A 25 LYS NZ :NH3+ -120:sc=-0.00111 (180deg=-0.19) USER MOD Single : A 26 TYR OH : rot 165:sc= 0.129 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0779 USER MOD Single : A 31 HIS : no HD1:sc= -0.92 X(o=-0.92,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot -170:sc= -2.01! USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0947 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.0452 X(o=-0.045,f=0) USER MOD Single : A 45 THR OG1 : rot -89:sc= -0.12 USER MOD Single : A 48 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 53 LYS NZ :NH3+ -126:sc= -0.572 (180deg=-1.93!) USER MOD Single : A 55 ASN : amide:sc= -0.395 K(o=-0.4,f=-4.7!) USER MOD Single : A 58 HIS : no HE2:sc= -12.9! C(o=-13!,f=-11!) USER MOD Single : A 62 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.135) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -123:sc= -0.0863 (180deg=-0.766) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0116) USER MOD Single : A 78 LYS NZ :NH3+ -125:sc= -0.352 (180deg=-2.67!) USER MOD Single : A 82 GLN : amide:sc= -8.94! C(o=-8.9!,f=-18!) USER MOD Single : A 87 GLN : amide:sc= -11.4! C(o=-11!,f=-20!) USER MOD Single : A 88 LYS NZ :NH3+ -156:sc= -2.07! (180deg=-3.94!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.155 -12.380 12.114 1.00 0.00 N ATOM 2 CA MET A 1 -0.900 -12.026 10.687 1.00 0.00 C ATOM 3 C MET A 1 -2.002 -11.123 10.156 1.00 0.00 C ATOM 4 O MET A 1 -3.160 -11.305 10.473 1.00 0.00 O ATOM 5 CB MET A 1 -0.950 -13.349 9.921 1.00 0.00 C ATOM 6 CG MET A 1 -2.189 -14.137 10.348 1.00 0.00 C ATOM 7 SD MET A 1 -1.690 -15.763 10.967 1.00 0.00 S ATOM 8 CE MET A 1 -3.306 -16.565 10.826 1.00 0.00 C ATOM 0 H1 MET A 1 -0.757 -13.319 12.315 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.707 -11.674 12.732 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.180 -12.393 12.291 1.00 0.00 H new ATOM 0 HA MET A 1 0.051 -11.505 10.578 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.978 -13.160 8.848 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.050 -13.931 10.119 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.730 -13.592 11.122 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.869 -14.251 9.504 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.230 -17.599 11.162 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.030 -16.035 11.445 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.633 -16.545 9.786 1.00 0.00 H new ATOM 20 N LYS A 2 -1.663 -10.184 9.312 1.00 0.00 N ATOM 21 CA LYS A 2 -2.720 -9.317 8.717 1.00 0.00 C ATOM 22 C LYS A 2 -3.880 -10.216 8.311 1.00 0.00 C ATOM 23 O LYS A 2 -3.820 -10.851 7.283 1.00 0.00 O ATOM 24 CB LYS A 2 -2.104 -8.689 7.457 1.00 0.00 C ATOM 25 CG LYS A 2 -0.719 -8.114 7.769 1.00 0.00 C ATOM 26 CD LYS A 2 -0.764 -7.339 9.088 1.00 0.00 C ATOM 27 CE LYS A 2 -0.063 -8.146 10.182 1.00 0.00 C ATOM 28 NZ LYS A 2 0.721 -7.143 10.957 1.00 0.00 N ATOM 0 H LYS A 2 -0.709 -9.982 9.012 1.00 0.00 H new ATOM 0 HA LYS A 2 -3.070 -8.550 9.408 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -2.024 -9.440 6.671 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -2.756 -7.901 7.080 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.013 -8.919 7.835 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -0.398 -7.456 6.961 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -0.278 -6.370 8.969 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.798 -7.144 9.372 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -0.784 -8.660 10.817 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.586 -8.910 9.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.231 -7.621 11.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 1.404 -6.675 10.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 0.076 -6.432 11.358 1.00 0.00 H new ATOM 42 N THR A 3 -4.899 -10.285 9.140 1.00 0.00 N ATOM 43 CA THR A 3 -6.101 -11.165 8.880 1.00 0.00 C ATOM 44 C THR A 3 -5.900 -12.013 7.626 1.00 0.00 C ATOM 45 O THR A 3 -5.673 -13.202 7.704 1.00 0.00 O ATOM 46 CB THR A 3 -7.250 -10.174 8.678 1.00 0.00 C ATOM 47 OG1 THR A 3 -7.777 -9.797 9.941 1.00 0.00 O ATOM 48 CG2 THR A 3 -8.355 -10.811 7.832 1.00 0.00 C ATOM 0 H THR A 3 -4.953 -9.756 10.010 1.00 0.00 H new ATOM 0 HA THR A 3 -6.284 -11.867 9.694 1.00 0.00 H new ATOM 0 HB THR A 3 -6.872 -9.293 8.160 1.00 0.00 H new ATOM 0 HG1 THR A 3 -8.512 -9.161 9.812 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.166 -10.096 7.695 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.952 -11.093 6.859 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.735 -11.699 8.338 1.00 0.00 H new ATOM 56 N ALA A 4 -5.941 -11.396 6.481 1.00 0.00 N ATOM 57 CA ALA A 4 -5.699 -12.134 5.215 1.00 0.00 C ATOM 58 C ALA A 4 -4.330 -12.805 5.290 1.00 0.00 C ATOM 59 O ALA A 4 -3.369 -12.295 4.760 1.00 0.00 O ATOM 60 CB ALA A 4 -5.666 -11.045 4.167 1.00 0.00 C ATOM 0 H ALA A 4 -6.134 -10.401 6.368 1.00 0.00 H new ATOM 0 HA ALA A 4 -6.445 -12.902 5.009 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.491 -11.489 3.187 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -6.619 -10.516 4.161 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -4.864 -10.344 4.396 1.00 0.00 H new ATOM 66 N TYR A 5 -4.240 -13.920 5.973 1.00 0.00 N ATOM 67 CA TYR A 5 -2.927 -14.632 6.144 1.00 0.00 C ATOM 68 C TYR A 5 -1.762 -13.645 6.008 1.00 0.00 C ATOM 69 O TYR A 5 -0.812 -13.869 5.285 1.00 0.00 O ATOM 70 CB TYR A 5 -2.863 -15.750 5.087 1.00 0.00 C ATOM 71 CG TYR A 5 -3.311 -15.272 3.723 1.00 0.00 C ATOM 72 CD1 TYR A 5 -4.635 -14.873 3.510 1.00 0.00 C ATOM 73 CD2 TYR A 5 -2.399 -15.262 2.659 1.00 0.00 C ATOM 74 CE1 TYR A 5 -5.045 -14.455 2.240 1.00 0.00 C ATOM 75 CE2 TYR A 5 -2.811 -14.852 1.387 1.00 0.00 C ATOM 76 CZ TYR A 5 -4.132 -14.445 1.177 1.00 0.00 C ATOM 77 OH TYR A 5 -4.540 -14.048 -0.079 1.00 0.00 O ATOM 0 H TYR A 5 -5.031 -14.377 6.427 1.00 0.00 H new ATOM 0 HA TYR A 5 -2.847 -15.070 7.139 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -1.843 -16.127 5.021 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -3.491 -16.583 5.403 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -5.341 -14.888 4.327 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.377 -15.571 2.821 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -6.065 -14.140 2.078 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.109 -14.850 0.567 1.00 0.00 H new ATOM 0 HH TYR A 5 -3.795 -13.610 -0.542 1.00 0.00 H new ATOM 87 N ASP A 6 -1.858 -12.546 6.716 1.00 0.00 N ATOM 88 CA ASP A 6 -0.799 -11.494 6.684 1.00 0.00 C ATOM 89 C ASP A 6 -0.688 -10.854 5.295 1.00 0.00 C ATOM 90 O ASP A 6 0.369 -10.782 4.702 1.00 0.00 O ATOM 91 CB ASP A 6 0.482 -12.196 7.126 1.00 0.00 C ATOM 92 CG ASP A 6 1.704 -11.352 6.758 1.00 0.00 C ATOM 93 OD1 ASP A 6 1.834 -10.266 7.300 1.00 0.00 O ATOM 94 OD2 ASP A 6 2.490 -11.806 5.943 1.00 0.00 O ATOM 0 H ASP A 6 -2.645 -12.331 7.328 1.00 0.00 H new ATOM 0 HA ASP A 6 -1.025 -10.660 7.348 1.00 0.00 H new ATOM 0 HB2 ASP A 6 0.459 -12.365 8.203 1.00 0.00 H new ATOM 0 HB3 ASP A 6 0.551 -13.175 6.651 1.00 0.00 H new ATOM 99 N VAL A 7 -1.791 -10.370 4.782 1.00 0.00 N ATOM 100 CA VAL A 7 -1.780 -9.709 3.449 1.00 0.00 C ATOM 101 C VAL A 7 -2.649 -8.441 3.493 1.00 0.00 C ATOM 102 O VAL A 7 -2.414 -7.546 4.282 1.00 0.00 O ATOM 103 CB VAL A 7 -2.387 -10.718 2.479 1.00 0.00 C ATOM 104 CG1 VAL A 7 -2.071 -10.273 1.057 1.00 0.00 C ATOM 105 CG2 VAL A 7 -1.820 -12.114 2.722 1.00 0.00 C ATOM 0 H VAL A 7 -2.704 -10.407 5.236 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.773 -9.417 3.150 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.465 -10.761 2.632 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.498 -10.984 0.350 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.498 -9.286 0.881 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -0.990 -10.230 0.921 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.268 -12.816 2.019 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.739 -12.098 2.580 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.047 -12.427 3.741 1.00 0.00 H new ATOM 115 N ILE A 8 -3.656 -8.361 2.658 1.00 0.00 N ATOM 116 CA ILE A 8 -4.542 -7.170 2.651 1.00 0.00 C ATOM 117 C ILE A 8 -5.233 -7.023 4.010 1.00 0.00 C ATOM 118 O ILE A 8 -5.457 -7.992 4.709 1.00 0.00 O ATOM 119 CB ILE A 8 -5.567 -7.473 1.557 1.00 0.00 C ATOM 120 CG1 ILE A 8 -4.848 -7.851 0.263 1.00 0.00 C ATOM 121 CG2 ILE A 8 -6.420 -6.234 1.296 1.00 0.00 C ATOM 122 CD1 ILE A 8 -5.587 -9.015 -0.396 1.00 0.00 C ATOM 0 H ILE A 8 -3.899 -9.080 1.977 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.003 -6.240 2.469 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.198 -8.299 1.885 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.814 -6.996 -0.412 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.816 -8.132 0.474 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.150 -6.452 0.516 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.940 -5.951 2.211 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.780 -5.413 0.974 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.080 -9.291 -1.321 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.598 -9.869 0.281 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.611 -8.716 -0.619 1.00 0.00 H new ATOM 134 N LEU A 9 -5.573 -5.823 4.390 1.00 0.00 N ATOM 135 CA LEU A 9 -6.248 -5.626 5.704 1.00 0.00 C ATOM 136 C LEU A 9 -7.456 -4.695 5.549 1.00 0.00 C ATOM 137 O LEU A 9 -8.517 -5.109 5.126 1.00 0.00 O ATOM 138 CB LEU A 9 -5.184 -4.997 6.605 1.00 0.00 C ATOM 139 CG LEU A 9 -4.195 -6.072 7.056 1.00 0.00 C ATOM 140 CD1 LEU A 9 -2.851 -5.422 7.388 1.00 0.00 C ATOM 141 CD2 LEU A 9 -4.741 -6.778 8.299 1.00 0.00 C ATOM 0 H LEU A 9 -5.414 -4.973 3.850 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.628 -6.560 6.119 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.659 -4.207 6.068 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.655 -4.534 7.472 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.059 -6.799 6.255 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.146 -6.188 7.710 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.462 -4.919 6.503 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.986 -4.695 8.189 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.036 -7.545 8.621 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.878 -6.051 9.100 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.699 -7.242 8.063 1.00 0.00 H new ATOM 153 N ALA A 10 -7.309 -3.440 5.886 1.00 0.00 N ATOM 154 CA ALA A 10 -8.455 -2.494 5.756 1.00 0.00 C ATOM 155 C ALA A 10 -8.211 -1.518 4.603 1.00 0.00 C ATOM 156 O ALA A 10 -7.082 -1.258 4.237 1.00 0.00 O ATOM 157 CB ALA A 10 -8.505 -1.749 7.089 1.00 0.00 C ATOM 0 H ALA A 10 -6.446 -3.031 6.245 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.392 -3.008 5.540 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.325 -1.031 7.074 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.662 -2.462 7.899 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.564 -1.222 7.247 1.00 0.00 H new ATOM 163 N PRO A 11 -9.287 -1.002 4.075 1.00 0.00 N ATOM 164 CA PRO A 11 -9.199 -0.033 2.957 1.00 0.00 C ATOM 165 C PRO A 11 -8.716 1.325 3.474 1.00 0.00 C ATOM 166 O PRO A 11 -8.875 1.647 4.635 1.00 0.00 O ATOM 167 CB PRO A 11 -10.635 0.058 2.449 1.00 0.00 C ATOM 168 CG PRO A 11 -11.486 -0.328 3.617 1.00 0.00 C ATOM 169 CD PRO A 11 -10.675 -1.272 4.467 1.00 0.00 C ATOM 0 HA PRO A 11 -8.497 -0.333 2.179 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.869 1.066 2.107 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.798 -0.611 1.604 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.776 0.553 4.190 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.406 -0.807 3.281 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -10.832 -1.087 5.530 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.947 -2.311 4.280 1.00 0.00 H new ATOM 177 N VAL A 12 -8.126 2.123 2.627 1.00 0.00 N ATOM 178 CA VAL A 12 -7.637 3.456 3.084 1.00 0.00 C ATOM 179 C VAL A 12 -8.635 4.549 2.694 1.00 0.00 C ATOM 180 O VAL A 12 -9.209 4.525 1.624 1.00 0.00 O ATOM 181 CB VAL A 12 -6.305 3.668 2.361 1.00 0.00 C ATOM 182 CG1 VAL A 12 -5.488 2.374 2.393 1.00 0.00 C ATOM 183 CG2 VAL A 12 -6.568 4.069 0.906 1.00 0.00 C ATOM 0 H VAL A 12 -7.962 1.912 1.643 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.522 3.499 4.167 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.748 4.460 2.861 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.540 2.529 1.877 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.296 2.091 3.428 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.045 1.579 1.897 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.618 4.220 0.393 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.129 3.279 0.407 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.144 4.994 0.882 1.00 0.00 H new ATOM 193 N LEU A 13 -8.840 5.510 3.549 1.00 0.00 N ATOM 194 CA LEU A 13 -9.793 6.604 3.217 1.00 0.00 C ATOM 195 C LEU A 13 -9.029 7.865 2.804 1.00 0.00 C ATOM 196 O LEU A 13 -8.385 8.506 3.610 1.00 0.00 O ATOM 197 CB LEU A 13 -10.582 6.848 4.501 1.00 0.00 C ATOM 198 CG LEU A 13 -11.554 5.689 4.734 1.00 0.00 C ATOM 199 CD1 LEU A 13 -12.336 5.410 3.449 1.00 0.00 C ATOM 200 CD2 LEU A 13 -10.768 4.438 5.133 1.00 0.00 C ATOM 0 H LEU A 13 -8.390 5.586 4.461 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.446 6.344 2.384 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.900 6.940 5.347 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -11.130 7.787 4.430 1.00 0.00 H new ATOM 0 HG LEU A 13 -12.249 5.953 5.531 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -13.028 4.584 3.616 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.896 6.300 3.163 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.642 5.146 2.651 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -11.459 3.612 5.299 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -10.073 4.175 4.335 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.211 4.635 6.049 1.00 0.00 H new ATOM 212 N SER A 14 -9.099 8.224 1.552 1.00 0.00 N ATOM 213 CA SER A 14 -8.381 9.442 1.084 1.00 0.00 C ATOM 214 C SER A 14 -8.945 9.893 -0.265 1.00 0.00 C ATOM 215 O SER A 14 -9.287 9.085 -1.106 1.00 0.00 O ATOM 216 CB SER A 14 -6.922 9.013 0.939 1.00 0.00 C ATOM 217 OG SER A 14 -6.695 7.847 1.721 1.00 0.00 O ATOM 0 H SER A 14 -9.623 7.726 0.832 1.00 0.00 H new ATOM 0 HA SER A 14 -8.490 10.279 1.774 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.692 8.813 -0.108 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.261 9.817 1.263 1.00 0.00 H new ATOM 0 HG SER A 14 -5.760 7.568 1.629 1.00 0.00 H new ATOM 223 N GLU A 15 -9.049 11.177 -0.477 1.00 0.00 N ATOM 224 CA GLU A 15 -9.594 11.675 -1.774 1.00 0.00 C ATOM 225 C GLU A 15 -9.012 10.865 -2.935 1.00 0.00 C ATOM 226 O GLU A 15 -9.723 10.424 -3.816 1.00 0.00 O ATOM 227 CB GLU A 15 -9.147 13.134 -1.858 1.00 0.00 C ATOM 228 CG GLU A 15 -10.003 13.984 -0.917 1.00 0.00 C ATOM 229 CD GLU A 15 -10.807 14.998 -1.733 1.00 0.00 C ATOM 230 OE1 GLU A 15 -10.208 15.678 -2.551 1.00 0.00 O ATOM 231 OE2 GLU A 15 -12.006 15.078 -1.527 1.00 0.00 O ATOM 0 H GLU A 15 -8.781 11.901 0.189 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.678 11.579 -1.832 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.095 13.219 -1.587 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.243 13.497 -2.881 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.677 13.346 -0.345 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.368 14.502 -0.198 1.00 0.00 H new ATOM 238 N LYS A 16 -7.722 10.663 -2.942 1.00 0.00 N ATOM 239 CA LYS A 16 -7.097 9.881 -4.042 1.00 0.00 C ATOM 240 C LYS A 16 -7.771 8.512 -4.164 1.00 0.00 C ATOM 241 O LYS A 16 -8.146 8.088 -5.238 1.00 0.00 O ATOM 242 CB LYS A 16 -5.632 9.724 -3.635 1.00 0.00 C ATOM 243 CG LYS A 16 -4.874 11.018 -3.944 1.00 0.00 C ATOM 244 CD LYS A 16 -3.377 10.801 -3.720 1.00 0.00 C ATOM 245 CE LYS A 16 -2.646 12.142 -3.820 1.00 0.00 C ATOM 246 NZ LYS A 16 -1.252 11.792 -4.211 1.00 0.00 N ATOM 0 H LYS A 16 -7.075 11.007 -2.232 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.199 10.373 -5.009 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.562 9.494 -2.572 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.182 8.889 -4.172 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.058 11.322 -4.975 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.235 11.824 -3.305 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.206 10.354 -2.741 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.985 10.105 -4.461 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.112 12.792 -4.561 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.667 12.675 -2.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.688 12.661 -4.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.831 11.179 -3.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.262 11.292 -5.123 1.00 0.00 H new ATOM 260 N ALA A 17 -7.931 7.820 -3.069 1.00 0.00 N ATOM 261 CA ALA A 17 -8.586 6.481 -3.122 1.00 0.00 C ATOM 262 C ALA A 17 -10.051 6.628 -3.534 1.00 0.00 C ATOM 263 O ALA A 17 -10.472 6.129 -4.556 1.00 0.00 O ATOM 264 CB ALA A 17 -8.490 5.931 -1.700 1.00 0.00 C ATOM 0 H ALA A 17 -7.637 8.123 -2.141 1.00 0.00 H new ATOM 0 HA ALA A 17 -8.111 5.821 -3.848 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.952 4.945 -1.659 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.442 5.853 -1.410 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -9.007 6.603 -1.014 1.00 0.00 H new ATOM 270 N TYR A 18 -10.831 7.309 -2.741 1.00 0.00 N ATOM 271 CA TYR A 18 -12.270 7.485 -3.085 1.00 0.00 C ATOM 272 C TYR A 18 -12.422 7.878 -4.557 1.00 0.00 C ATOM 273 O TYR A 18 -13.394 7.540 -5.202 1.00 0.00 O ATOM 274 CB TYR A 18 -12.761 8.605 -2.167 1.00 0.00 C ATOM 275 CG TYR A 18 -13.394 7.994 -0.942 1.00 0.00 C ATOM 276 CD1 TYR A 18 -14.273 6.915 -1.080 1.00 0.00 C ATOM 277 CD2 TYR A 18 -13.099 8.500 0.330 1.00 0.00 C ATOM 278 CE1 TYR A 18 -14.861 6.340 0.054 1.00 0.00 C ATOM 279 CE2 TYR A 18 -13.687 7.926 1.464 1.00 0.00 C ATOM 280 CZ TYR A 18 -14.567 6.846 1.326 1.00 0.00 C ATOM 281 OH TYR A 18 -15.145 6.280 2.444 1.00 0.00 O ATOM 0 H TYR A 18 -10.535 7.751 -1.871 1.00 0.00 H new ATOM 0 HA TYR A 18 -12.844 6.568 -2.948 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -11.929 9.248 -1.880 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -13.483 9.232 -2.691 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -14.499 6.525 -2.061 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -12.419 9.332 0.436 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -15.540 5.507 -0.053 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -13.462 8.317 2.445 1.00 0.00 H new ATOM 0 HH TYR A 18 -14.937 6.825 3.231 1.00 0.00 H new ATOM 291 N ALA A 19 -11.466 8.586 -5.094 1.00 0.00 N ATOM 292 CA ALA A 19 -11.556 8.994 -6.526 1.00 0.00 C ATOM 293 C ALA A 19 -10.900 7.933 -7.417 1.00 0.00 C ATOM 294 O ALA A 19 -11.000 7.974 -8.628 1.00 0.00 O ATOM 295 CB ALA A 19 -10.793 10.316 -6.611 1.00 0.00 C ATOM 0 H ALA A 19 -10.628 8.899 -4.605 1.00 0.00 H new ATOM 0 HA ALA A 19 -12.587 9.099 -6.863 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.814 10.683 -7.637 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.261 11.049 -5.954 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.759 10.160 -6.302 1.00 0.00 H new ATOM 301 N GLY A 20 -10.239 6.980 -6.820 1.00 0.00 N ATOM 302 CA GLY A 20 -9.580 5.904 -7.616 1.00 0.00 C ATOM 303 C GLY A 20 -10.344 4.604 -7.399 1.00 0.00 C ATOM 304 O GLY A 20 -10.523 3.811 -8.302 1.00 0.00 O ATOM 0 H GLY A 20 -10.126 6.899 -5.810 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.572 6.166 -8.674 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.541 5.788 -7.309 1.00 0.00 H new ATOM 308 N PHE A 21 -10.813 4.390 -6.202 1.00 0.00 N ATOM 309 CA PHE A 21 -11.585 3.157 -5.912 1.00 0.00 C ATOM 310 C PHE A 21 -12.973 3.278 -6.548 1.00 0.00 C ATOM 311 O PHE A 21 -13.662 2.300 -6.764 1.00 0.00 O ATOM 312 CB PHE A 21 -11.646 3.099 -4.372 1.00 0.00 C ATOM 313 CG PHE A 21 -13.063 3.266 -3.870 1.00 0.00 C ATOM 314 CD1 PHE A 21 -13.663 4.528 -3.885 1.00 0.00 C ATOM 315 CD2 PHE A 21 -13.773 2.158 -3.393 1.00 0.00 C ATOM 316 CE1 PHE A 21 -14.973 4.685 -3.421 1.00 0.00 C ATOM 317 CE2 PHE A 21 -15.083 2.315 -2.928 1.00 0.00 C ATOM 318 CZ PHE A 21 -15.684 3.579 -2.942 1.00 0.00 C ATOM 0 H PHE A 21 -10.693 5.021 -5.410 1.00 0.00 H new ATOM 0 HA PHE A 21 -11.141 2.247 -6.316 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -11.246 2.146 -4.026 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -11.015 3.882 -3.951 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -13.115 5.382 -4.255 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -13.310 1.182 -3.384 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -15.436 5.661 -3.432 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -15.631 1.461 -2.558 1.00 0.00 H new ATOM 0 HZ PHE A 21 -16.695 3.701 -2.583 1.00 0.00 H new ATOM 328 N ALA A 22 -13.379 4.479 -6.839 1.00 0.00 N ATOM 329 CA ALA A 22 -14.711 4.695 -7.451 1.00 0.00 C ATOM 330 C ALA A 22 -14.853 3.862 -8.727 1.00 0.00 C ATOM 331 O ALA A 22 -15.944 3.581 -9.182 1.00 0.00 O ATOM 332 CB ALA A 22 -14.747 6.186 -7.773 1.00 0.00 C ATOM 0 H ALA A 22 -12.837 5.328 -6.676 1.00 0.00 H new ATOM 0 HA ALA A 22 -15.527 4.396 -6.793 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -15.703 6.436 -8.232 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.624 6.760 -6.854 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.939 6.429 -8.463 1.00 0.00 H new ATOM 338 N GLU A 23 -13.754 3.470 -9.310 1.00 0.00 N ATOM 339 CA GLU A 23 -13.815 2.658 -10.560 1.00 0.00 C ATOM 340 C GLU A 23 -13.793 1.166 -10.224 1.00 0.00 C ATOM 341 O GLU A 23 -13.537 0.333 -11.070 1.00 0.00 O ATOM 342 CB GLU A 23 -12.561 3.047 -11.341 1.00 0.00 C ATOM 343 CG GLU A 23 -12.901 3.170 -12.828 1.00 0.00 C ATOM 344 CD GLU A 23 -12.813 1.792 -13.488 1.00 0.00 C ATOM 345 OE1 GLU A 23 -13.737 1.013 -13.314 1.00 0.00 O ATOM 346 OE2 GLU A 23 -11.824 1.540 -14.158 1.00 0.00 O ATOM 0 H GLU A 23 -12.813 3.677 -8.974 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.727 2.842 -11.129 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.167 3.992 -10.968 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -11.783 2.298 -11.196 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -13.904 3.580 -12.950 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.213 3.862 -13.313 1.00 0.00 H new ATOM 353 N GLY A 24 -14.057 0.822 -8.995 1.00 0.00 N ATOM 354 CA GLY A 24 -14.045 -0.606 -8.604 1.00 0.00 C ATOM 355 C GLY A 24 -12.668 -0.971 -8.049 1.00 0.00 C ATOM 356 O GLY A 24 -12.405 -2.107 -7.708 1.00 0.00 O ATOM 0 H GLY A 24 -14.281 1.475 -8.244 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.813 -0.795 -7.854 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.279 -1.232 -9.465 1.00 0.00 H new ATOM 360 N LYS A 25 -11.786 -0.012 -7.951 1.00 0.00 N ATOM 361 CA LYS A 25 -10.425 -0.297 -7.415 1.00 0.00 C ATOM 362 C LYS A 25 -10.466 -0.285 -5.883 1.00 0.00 C ATOM 363 O LYS A 25 -11.164 0.503 -5.285 1.00 0.00 O ATOM 364 CB LYS A 25 -9.553 0.849 -7.942 1.00 0.00 C ATOM 365 CG LYS A 25 -9.382 0.712 -9.455 1.00 0.00 C ATOM 366 CD LYS A 25 -9.061 2.081 -10.058 1.00 0.00 C ATOM 367 CE LYS A 25 -8.167 1.903 -11.289 1.00 0.00 C ATOM 368 NZ LYS A 25 -6.800 1.679 -10.742 1.00 0.00 N ATOM 0 H LYS A 25 -11.951 0.958 -8.220 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.043 -1.271 -7.720 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.013 1.808 -7.704 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.579 0.832 -7.453 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.581 0.007 -9.679 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.293 0.311 -9.900 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.983 2.592 -10.336 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.560 2.707 -9.319 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.493 1.058 -11.895 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.197 2.785 -11.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.162 2.424 -11.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.833 1.705 -9.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.449 0.751 -11.054 1.00 0.00 H new ATOM 382 N TYR A 26 -9.740 -1.156 -5.237 1.00 0.00 N ATOM 383 CA TYR A 26 -9.774 -1.165 -3.744 1.00 0.00 C ATOM 384 C TYR A 26 -8.366 -1.097 -3.152 1.00 0.00 C ATOM 385 O TYR A 26 -7.644 -2.073 -3.121 1.00 0.00 O ATOM 386 CB TYR A 26 -10.463 -2.475 -3.364 1.00 0.00 C ATOM 387 CG TYR A 26 -11.880 -2.476 -3.889 1.00 0.00 C ATOM 388 CD1 TYR A 26 -12.607 -1.278 -3.964 1.00 0.00 C ATOM 389 CD2 TYR A 26 -12.467 -3.675 -4.303 1.00 0.00 C ATOM 390 CE1 TYR A 26 -13.918 -1.285 -4.452 1.00 0.00 C ATOM 391 CE2 TYR A 26 -13.779 -3.681 -4.790 1.00 0.00 C ATOM 392 CZ TYR A 26 -14.504 -2.486 -4.865 1.00 0.00 C ATOM 393 OH TYR A 26 -15.797 -2.492 -5.349 1.00 0.00 O ATOM 0 H TYR A 26 -9.133 -1.853 -5.669 1.00 0.00 H new ATOM 0 HA TYR A 26 -10.304 -0.297 -3.352 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -9.912 -3.320 -3.776 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.466 -2.594 -2.281 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.154 -0.351 -3.645 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -11.908 -4.597 -4.247 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -14.478 -0.363 -4.510 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -14.232 -4.608 -5.108 1.00 0.00 H new ATOM 0 HH TYR A 26 -15.970 -3.339 -5.810 1.00 0.00 H new ATOM 403 N THR A 27 -7.990 0.051 -2.660 1.00 0.00 N ATOM 404 CA THR A 27 -6.650 0.215 -2.041 1.00 0.00 C ATOM 405 C THR A 27 -6.655 -0.404 -0.649 1.00 0.00 C ATOM 406 O THR A 27 -7.501 -0.111 0.172 1.00 0.00 O ATOM 407 CB THR A 27 -6.432 1.724 -1.959 1.00 0.00 C ATOM 408 OG1 THR A 27 -6.875 2.332 -3.165 1.00 0.00 O ATOM 409 CG2 THR A 27 -4.945 2.015 -1.756 1.00 0.00 C ATOM 0 H THR A 27 -8.565 0.893 -2.662 1.00 0.00 H new ATOM 0 HA THR A 27 -5.860 -0.273 -2.611 1.00 0.00 H new ATOM 0 HB THR A 27 -6.998 2.128 -1.119 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.737 3.301 -3.113 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.790 3.092 -1.698 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.606 1.549 -0.831 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.378 1.612 -2.595 1.00 0.00 H new ATOM 417 N PHE A 28 -5.730 -1.273 -0.387 1.00 0.00 N ATOM 418 CA PHE A 28 -5.687 -1.931 0.945 1.00 0.00 C ATOM 419 C PHE A 28 -4.316 -1.762 1.590 1.00 0.00 C ATOM 420 O PHE A 28 -3.345 -1.451 0.935 1.00 0.00 O ATOM 421 CB PHE A 28 -5.929 -3.405 0.652 1.00 0.00 C ATOM 422 CG PHE A 28 -7.359 -3.631 0.228 1.00 0.00 C ATOM 423 CD1 PHE A 28 -8.400 -2.920 0.839 1.00 0.00 C ATOM 424 CD2 PHE A 28 -7.640 -4.558 -0.779 1.00 0.00 C ATOM 425 CE1 PHE A 28 -9.724 -3.140 0.439 1.00 0.00 C ATOM 426 CE2 PHE A 28 -8.962 -4.779 -1.179 1.00 0.00 C ATOM 427 CZ PHE A 28 -10.005 -4.069 -0.570 1.00 0.00 C ATOM 0 H PHE A 28 -4.998 -1.559 -1.037 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.419 -1.504 1.630 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.253 -3.741 -0.134 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.708 -3.999 1.539 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -8.182 -2.203 1.617 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.836 -5.104 -1.249 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -10.528 -2.593 0.909 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -9.179 -5.496 -1.957 1.00 0.00 H new ATOM 0 HZ PHE A 28 -11.026 -4.238 -0.879 1.00 0.00 H new ATOM 437 N TRP A 29 -4.225 -2.013 2.865 1.00 0.00 N ATOM 438 CA TRP A 29 -2.911 -1.922 3.547 1.00 0.00 C ATOM 439 C TRP A 29 -2.363 -3.336 3.625 1.00 0.00 C ATOM 440 O TRP A 29 -3.013 -4.231 4.130 1.00 0.00 O ATOM 441 CB TRP A 29 -3.209 -1.365 4.940 1.00 0.00 C ATOM 442 CG TRP A 29 -3.335 0.124 4.865 1.00 0.00 C ATOM 443 CD1 TRP A 29 -4.405 0.835 5.288 1.00 0.00 C ATOM 444 CD2 TRP A 29 -2.378 1.092 4.345 1.00 0.00 C ATOM 445 NE1 TRP A 29 -4.166 2.179 5.062 1.00 0.00 N ATOM 446 CE2 TRP A 29 -2.930 2.388 4.482 1.00 0.00 C ATOM 447 CE3 TRP A 29 -1.097 0.974 3.773 1.00 0.00 C ATOM 448 CZ2 TRP A 29 -2.237 3.526 4.067 1.00 0.00 C ATOM 449 CZ3 TRP A 29 -0.398 2.118 3.354 1.00 0.00 C ATOM 450 CH2 TRP A 29 -0.966 3.391 3.501 1.00 0.00 C ATOM 0 H TRP A 29 -5.007 -2.278 3.463 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.184 -1.288 3.040 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.130 -1.800 5.328 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -2.412 -1.639 5.631 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.299 0.421 5.730 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.822 2.924 5.295 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.649 -0.002 3.656 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -2.680 4.504 4.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.584 2.016 2.916 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.422 4.266 3.177 1.00 0.00 H new ATOM 461 N VAL A 30 -1.212 -3.575 3.084 1.00 0.00 N ATOM 462 CA VAL A 30 -0.698 -4.954 3.090 1.00 0.00 C ATOM 463 C VAL A 30 0.819 -4.986 3.223 1.00 0.00 C ATOM 464 O VAL A 30 1.496 -3.987 3.084 1.00 0.00 O ATOM 465 CB VAL A 30 -1.145 -5.496 1.746 1.00 0.00 C ATOM 466 CG1 VAL A 30 -0.527 -4.668 0.618 1.00 0.00 C ATOM 467 CG2 VAL A 30 -0.716 -6.935 1.614 1.00 0.00 C ATOM 0 H VAL A 30 -0.611 -2.880 2.642 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.067 -5.540 3.932 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.231 -5.434 1.678 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.853 -5.063 -0.344 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.847 -3.630 0.711 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.560 -4.720 0.682 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.038 -7.323 0.648 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.370 -6.999 1.688 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.169 -7.524 2.411 1.00 0.00 H new ATOM 477 N HIS A 31 1.344 -6.138 3.505 1.00 0.00 N ATOM 478 CA HIS A 31 2.819 -6.276 3.669 1.00 0.00 C ATOM 479 C HIS A 31 3.528 -6.104 2.323 1.00 0.00 C ATOM 480 O HIS A 31 2.971 -6.393 1.283 1.00 0.00 O ATOM 481 CB HIS A 31 3.025 -7.692 4.206 1.00 0.00 C ATOM 482 CG HIS A 31 3.750 -7.629 5.523 1.00 0.00 C ATOM 483 ND1 HIS A 31 3.452 -6.678 6.486 1.00 0.00 N ATOM 484 CD2 HIS A 31 4.763 -8.391 6.049 1.00 0.00 C ATOM 485 CE1 HIS A 31 4.270 -6.891 7.533 1.00 0.00 C ATOM 486 NE2 HIS A 31 5.090 -7.924 7.319 1.00 0.00 N ATOM 0 H HIS A 31 0.814 -7.000 3.631 1.00 0.00 H new ATOM 0 HA HIS A 31 3.230 -5.520 4.338 1.00 0.00 H new ATOM 0 HB2 HIS A 31 2.063 -8.188 4.332 1.00 0.00 H new ATOM 0 HB3 HIS A 31 3.598 -8.284 3.492 1.00 0.00 H new ATOM 0 HD2 HIS A 31 5.235 -9.226 5.553 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.264 -6.299 8.436 1.00 0.00 H new ATOM 0 HE2 HIS A 31 5.802 -8.291 7.950 1.00 0.00 H new ATOM 494 N PRO A 32 4.744 -5.641 2.398 1.00 0.00 N ATOM 495 CA PRO A 32 5.561 -5.427 1.178 1.00 0.00 C ATOM 496 C PRO A 32 6.033 -6.769 0.624 1.00 0.00 C ATOM 497 O PRO A 32 7.201 -7.099 0.680 1.00 0.00 O ATOM 498 CB PRO A 32 6.742 -4.608 1.680 1.00 0.00 C ATOM 499 CG PRO A 32 6.852 -4.934 3.136 1.00 0.00 C ATOM 500 CD PRO A 32 5.467 -5.276 3.620 1.00 0.00 C ATOM 0 HA PRO A 32 5.016 -4.932 0.374 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.657 -4.868 1.148 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.576 -3.542 1.526 1.00 0.00 H new ATOM 0 HG2 PRO A 32 7.532 -5.771 3.293 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.256 -4.087 3.691 1.00 0.00 H new ATOM 0 HD2 PRO A 32 5.486 -6.100 4.334 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.999 -4.429 4.123 1.00 0.00 H new ATOM 508 N LYS A 33 5.134 -7.552 0.106 1.00 0.00 N ATOM 509 CA LYS A 33 5.529 -8.883 -0.432 1.00 0.00 C ATOM 510 C LYS A 33 4.300 -9.618 -0.965 1.00 0.00 C ATOM 511 O LYS A 33 4.376 -10.370 -1.916 1.00 0.00 O ATOM 512 CB LYS A 33 6.119 -9.627 0.769 1.00 0.00 C ATOM 513 CG LYS A 33 5.253 -9.377 2.012 1.00 0.00 C ATOM 514 CD LYS A 33 4.700 -10.708 2.526 1.00 0.00 C ATOM 515 CE LYS A 33 5.828 -11.520 3.163 1.00 0.00 C ATOM 516 NZ LYS A 33 5.432 -12.943 2.975 1.00 0.00 N ATOM 0 H LYS A 33 4.141 -7.330 0.031 1.00 0.00 H new ATOM 0 HA LYS A 33 6.237 -8.807 -1.257 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.169 -10.695 0.558 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.139 -9.290 0.952 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.845 -8.893 2.789 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.434 -8.701 1.767 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.911 -10.528 3.256 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.253 -11.269 1.705 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.784 -11.310 2.684 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.940 -11.278 4.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.158 -13.563 3.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.521 -13.115 3.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.339 -13.146 1.959 1.00 0.00 H new ATOM 530 N ALA A 34 3.169 -9.407 -0.352 1.00 0.00 N ATOM 531 CA ALA A 34 1.929 -10.093 -0.810 1.00 0.00 C ATOM 532 C ALA A 34 1.857 -10.099 -2.340 1.00 0.00 C ATOM 533 O ALA A 34 1.505 -9.115 -2.957 1.00 0.00 O ATOM 534 CB ALA A 34 0.785 -9.268 -0.222 1.00 0.00 C ATOM 0 H ALA A 34 3.050 -8.787 0.449 1.00 0.00 H new ATOM 0 HA ALA A 34 1.890 -11.134 -0.490 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.168 -9.708 -0.514 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.864 -9.260 0.865 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.843 -8.246 -0.597 1.00 0.00 H new ATOM 540 N THR A 35 2.190 -11.201 -2.954 1.00 0.00 N ATOM 541 CA THR A 35 2.139 -11.268 -4.442 1.00 0.00 C ATOM 542 C THR A 35 0.757 -10.836 -4.942 1.00 0.00 C ATOM 543 O THR A 35 -0.258 -11.228 -4.402 1.00 0.00 O ATOM 544 CB THR A 35 2.400 -12.736 -4.783 1.00 0.00 C ATOM 545 OG1 THR A 35 1.957 -13.554 -3.708 1.00 0.00 O ATOM 546 CG2 THR A 35 3.897 -12.951 -5.008 1.00 0.00 C ATOM 0 H THR A 35 2.495 -12.057 -2.490 1.00 0.00 H new ATOM 0 HA THR A 35 2.868 -10.607 -4.911 1.00 0.00 H new ATOM 0 HB THR A 35 1.858 -13.002 -5.691 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.263 -14.474 -3.850 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.082 -13.997 -5.251 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.235 -12.322 -5.832 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.443 -12.687 -4.102 1.00 0.00 H new ATOM 554 N LYS A 36 0.712 -10.029 -5.967 1.00 0.00 N ATOM 555 CA LYS A 36 -0.604 -9.570 -6.499 1.00 0.00 C ATOM 556 C LYS A 36 -1.597 -10.736 -6.539 1.00 0.00 C ATOM 557 O LYS A 36 -2.728 -10.615 -6.114 1.00 0.00 O ATOM 558 CB LYS A 36 -0.307 -9.068 -7.912 1.00 0.00 C ATOM 559 CG LYS A 36 0.723 -7.937 -7.845 1.00 0.00 C ATOM 560 CD LYS A 36 0.331 -6.828 -8.824 1.00 0.00 C ATOM 561 CE LYS A 36 0.829 -5.480 -8.296 1.00 0.00 C ATOM 562 NZ LYS A 36 1.992 -5.134 -9.159 1.00 0.00 N ATOM 0 H LYS A 36 1.529 -9.668 -6.459 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.052 -8.795 -5.877 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.072 -9.884 -8.527 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.223 -8.713 -8.383 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.776 -7.539 -6.832 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.714 -8.319 -8.090 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.760 -7.027 -9.806 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.752 -6.804 -8.948 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.051 -4.720 -8.359 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.122 -5.550 -7.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.388 -4.221 -8.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.720 -5.872 -9.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.682 -5.067 -10.149 1.00 0.00 H new ATOM 576 N THR A 37 -1.182 -11.867 -7.045 1.00 0.00 N ATOM 577 CA THR A 37 -2.104 -13.037 -7.106 1.00 0.00 C ATOM 578 C THR A 37 -2.561 -13.434 -5.702 1.00 0.00 C ATOM 579 O THR A 37 -3.740 -13.541 -5.430 1.00 0.00 O ATOM 580 CB THR A 37 -1.285 -14.155 -7.729 1.00 0.00 C ATOM 581 OG1 THR A 37 -0.383 -13.611 -8.684 1.00 0.00 O ATOM 582 CG2 THR A 37 -2.219 -15.155 -8.408 1.00 0.00 C ATOM 0 H THR A 37 -0.247 -12.030 -7.418 1.00 0.00 H new ATOM 0 HA THR A 37 -3.003 -12.816 -7.681 1.00 0.00 H new ATOM 0 HB THR A 37 -0.717 -14.666 -6.951 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.145 -14.333 -9.083 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.631 -15.957 -8.855 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.902 -15.574 -7.669 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.791 -14.649 -9.185 1.00 0.00 H new ATOM 590 N GLU A 38 -1.638 -13.652 -4.806 1.00 0.00 N ATOM 591 CA GLU A 38 -2.027 -14.041 -3.421 1.00 0.00 C ATOM 592 C GLU A 38 -2.977 -12.993 -2.839 1.00 0.00 C ATOM 593 O GLU A 38 -3.963 -13.317 -2.207 1.00 0.00 O ATOM 594 CB GLU A 38 -0.717 -14.079 -2.633 1.00 0.00 C ATOM 595 CG GLU A 38 -0.094 -15.472 -2.746 1.00 0.00 C ATOM 596 CD GLU A 38 0.956 -15.655 -1.648 1.00 0.00 C ATOM 597 OE1 GLU A 38 1.608 -14.681 -1.311 1.00 0.00 O ATOM 598 OE2 GLU A 38 1.089 -16.767 -1.163 1.00 0.00 O ATOM 0 H GLU A 38 -0.634 -13.578 -4.972 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.544 -15.000 -3.386 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.027 -13.328 -3.018 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.902 -13.836 -1.587 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.867 -16.235 -2.655 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.365 -15.598 -3.727 1.00 0.00 H new ATOM 605 N ILE A 39 -2.694 -11.740 -3.057 1.00 0.00 N ATOM 606 CA ILE A 39 -3.585 -10.670 -2.525 1.00 0.00 C ATOM 607 C ILE A 39 -5.004 -10.868 -3.063 1.00 0.00 C ATOM 608 O ILE A 39 -5.980 -10.541 -2.420 1.00 0.00 O ATOM 609 CB ILE A 39 -2.977 -9.367 -3.052 1.00 0.00 C ATOM 610 CG1 ILE A 39 -1.774 -8.988 -2.187 1.00 0.00 C ATOM 611 CG2 ILE A 39 -4.016 -8.244 -3.002 1.00 0.00 C ATOM 612 CD1 ILE A 39 -1.211 -7.644 -2.650 1.00 0.00 C ATOM 0 H ILE A 39 -1.884 -11.409 -3.581 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.655 -10.674 -1.437 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.660 -9.510 -4.085 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.071 -8.928 -1.140 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.006 -9.759 -2.257 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.574 -7.322 -3.379 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.873 -8.514 -3.619 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.342 -8.096 -1.973 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.354 -7.376 -2.032 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.898 -7.720 -3.691 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.979 -6.876 -2.557 1.00 0.00 H new ATOM 624 N LYS A 40 -5.119 -11.405 -4.243 1.00 0.00 N ATOM 625 CA LYS A 40 -6.465 -11.632 -4.842 1.00 0.00 C ATOM 626 C LYS A 40 -7.293 -12.578 -3.966 1.00 0.00 C ATOM 627 O LYS A 40 -8.460 -12.350 -3.715 1.00 0.00 O ATOM 628 CB LYS A 40 -6.170 -12.285 -6.191 1.00 0.00 C ATOM 629 CG LYS A 40 -7.435 -12.299 -7.045 1.00 0.00 C ATOM 630 CD LYS A 40 -7.047 -12.361 -8.524 1.00 0.00 C ATOM 631 CE LYS A 40 -8.310 -12.467 -9.379 1.00 0.00 C ATOM 632 NZ LYS A 40 -7.961 -13.431 -10.462 1.00 0.00 N ATOM 0 H LYS A 40 -4.334 -11.699 -4.824 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.039 -10.710 -4.935 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.379 -11.739 -6.705 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.809 -13.303 -6.042 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.054 -13.157 -6.784 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.029 -11.406 -6.850 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.482 -11.471 -8.800 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.399 -13.219 -8.705 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.156 -12.823 -8.791 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.592 -11.497 -9.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.779 -13.557 -11.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.157 -13.063 -11.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.704 -14.347 -10.042 1.00 0.00 H new ATOM 646 N ASN A 41 -6.699 -13.649 -3.523 1.00 0.00 N ATOM 647 CA ASN A 41 -7.441 -14.636 -2.685 1.00 0.00 C ATOM 648 C ASN A 41 -7.882 -14.034 -1.342 1.00 0.00 C ATOM 649 O ASN A 41 -9.007 -14.212 -0.920 1.00 0.00 O ATOM 650 CB ASN A 41 -6.448 -15.775 -2.457 1.00 0.00 C ATOM 651 CG ASN A 41 -6.300 -16.589 -3.744 1.00 0.00 C ATOM 652 OD1 ASN A 41 -6.990 -17.570 -3.938 1.00 0.00 O ATOM 653 ND2 ASN A 41 -5.421 -16.223 -4.638 1.00 0.00 N ATOM 0 H ASN A 41 -5.724 -13.887 -3.706 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.357 -14.964 -3.177 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.481 -15.373 -2.155 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -6.794 -16.416 -1.646 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.314 -16.761 -5.498 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.841 -15.400 -4.476 1.00 0.00 H new ATOM 660 N ALA A 42 -7.011 -13.344 -0.652 1.00 0.00 N ATOM 661 CA ALA A 42 -7.409 -12.769 0.670 1.00 0.00 C ATOM 662 C ALA A 42 -8.604 -11.822 0.522 1.00 0.00 C ATOM 663 O ALA A 42 -9.500 -11.816 1.343 1.00 0.00 O ATOM 664 CB ALA A 42 -6.179 -12.009 1.180 1.00 0.00 C ATOM 0 H ALA A 42 -6.051 -13.155 -0.941 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.718 -13.551 1.364 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.403 -11.562 2.148 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.342 -12.700 1.284 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.916 -11.225 0.470 1.00 0.00 H new ATOM 670 N VAL A 43 -8.631 -11.019 -0.505 1.00 0.00 N ATOM 671 CA VAL A 43 -9.778 -10.080 -0.674 1.00 0.00 C ATOM 672 C VAL A 43 -11.014 -10.833 -1.188 1.00 0.00 C ATOM 673 O VAL A 43 -12.114 -10.632 -0.712 1.00 0.00 O ATOM 674 CB VAL A 43 -9.281 -9.021 -1.679 1.00 0.00 C ATOM 675 CG1 VAL A 43 -10.086 -9.070 -2.982 1.00 0.00 C ATOM 676 CG2 VAL A 43 -9.434 -7.636 -1.053 1.00 0.00 C ATOM 0 H VAL A 43 -7.915 -10.971 -1.230 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.085 -9.615 0.263 1.00 0.00 H new ATOM 0 HB VAL A 43 -8.236 -9.228 -1.912 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.712 -8.312 -3.670 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.982 -10.055 -3.437 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.137 -8.878 -2.768 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.085 -6.879 -1.755 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.483 -7.457 -0.818 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.843 -7.583 -0.139 1.00 0.00 H new ATOM 686 N GLU A 44 -10.845 -11.690 -2.157 1.00 0.00 N ATOM 687 CA GLU A 44 -12.015 -12.440 -2.694 1.00 0.00 C ATOM 688 C GLU A 44 -12.715 -13.195 -1.563 1.00 0.00 C ATOM 689 O GLU A 44 -13.925 -13.287 -1.521 1.00 0.00 O ATOM 690 CB GLU A 44 -11.430 -13.416 -3.715 1.00 0.00 C ATOM 691 CG GLU A 44 -12.034 -13.138 -5.093 1.00 0.00 C ATOM 692 CD GLU A 44 -13.353 -13.900 -5.237 1.00 0.00 C ATOM 693 OE1 GLU A 44 -13.996 -14.128 -4.225 1.00 0.00 O ATOM 694 OE2 GLU A 44 -13.697 -14.243 -6.355 1.00 0.00 O ATOM 0 H GLU A 44 -9.951 -11.903 -2.599 1.00 0.00 H new ATOM 0 HA GLU A 44 -12.758 -11.783 -3.146 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.346 -13.311 -3.754 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.641 -14.442 -3.415 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.204 -12.069 -5.218 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.338 -13.443 -5.875 1.00 0.00 H new ATOM 701 N THR A 45 -11.962 -13.728 -0.642 1.00 0.00 N ATOM 702 CA THR A 45 -12.584 -14.469 0.492 1.00 0.00 C ATOM 703 C THR A 45 -13.107 -13.481 1.538 1.00 0.00 C ATOM 704 O THR A 45 -14.205 -13.613 2.041 1.00 0.00 O ATOM 705 CB THR A 45 -11.453 -15.315 1.077 1.00 0.00 C ATOM 706 OG1 THR A 45 -10.498 -14.463 1.695 1.00 0.00 O ATOM 707 CG2 THR A 45 -10.780 -16.111 -0.041 1.00 0.00 C ATOM 0 H THR A 45 -10.943 -13.683 -0.625 1.00 0.00 H new ATOM 0 HA THR A 45 -13.430 -15.080 0.176 1.00 0.00 H new ATOM 0 HB THR A 45 -11.859 -16.004 1.817 1.00 0.00 H new ATOM 0 HG1 THR A 45 -9.825 -14.194 1.036 1.00 0.00 H new ATOM 0 HG21 THR A 45 -9.974 -16.714 0.376 1.00 0.00 H new ATOM 0 HG22 THR A 45 -11.513 -16.764 -0.515 1.00 0.00 H new ATOM 0 HG23 THR A 45 -10.373 -15.424 -0.783 1.00 0.00 H new ATOM 715 N ALA A 46 -12.321 -12.496 1.870 1.00 0.00 N ATOM 716 CA ALA A 46 -12.759 -11.495 2.887 1.00 0.00 C ATOM 717 C ALA A 46 -13.911 -10.640 2.346 1.00 0.00 C ATOM 718 O ALA A 46 -15.004 -10.652 2.875 1.00 0.00 O ATOM 719 CB ALA A 46 -11.524 -10.630 3.145 1.00 0.00 C ATOM 0 H ALA A 46 -11.391 -12.339 1.481 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.126 -11.971 3.796 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.763 -9.866 3.885 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.713 -11.256 3.518 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.214 -10.151 2.216 1.00 0.00 H new ATOM 725 N PHE A 47 -13.674 -9.894 1.301 1.00 0.00 N ATOM 726 CA PHE A 47 -14.760 -9.037 0.738 1.00 0.00 C ATOM 727 C PHE A 47 -15.812 -9.901 0.037 1.00 0.00 C ATOM 728 O PHE A 47 -16.941 -9.494 -0.149 1.00 0.00 O ATOM 729 CB PHE A 47 -14.061 -8.121 -0.266 1.00 0.00 C ATOM 730 CG PHE A 47 -13.368 -7.002 0.473 1.00 0.00 C ATOM 731 CD1 PHE A 47 -14.098 -5.882 0.892 1.00 0.00 C ATOM 732 CD2 PHE A 47 -11.997 -7.084 0.741 1.00 0.00 C ATOM 733 CE1 PHE A 47 -13.455 -4.845 1.578 1.00 0.00 C ATOM 734 CE2 PHE A 47 -11.354 -6.047 1.427 1.00 0.00 C ATOM 735 CZ PHE A 47 -12.083 -4.927 1.846 1.00 0.00 C ATOM 0 H PHE A 47 -12.780 -9.840 0.814 1.00 0.00 H new ATOM 0 HA PHE A 47 -15.281 -8.473 1.511 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -13.337 -8.689 -0.850 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -14.787 -7.712 -0.969 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -15.156 -5.819 0.686 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -11.435 -7.948 0.418 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -14.017 -3.981 1.901 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.296 -6.111 1.633 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.587 -4.127 2.376 1.00 0.00 H new ATOM 745 N LYS A 48 -15.447 -11.090 -0.348 1.00 0.00 N ATOM 746 CA LYS A 48 -16.419 -11.987 -1.036 1.00 0.00 C ATOM 747 C LYS A 48 -16.885 -11.360 -2.345 1.00 0.00 C ATOM 748 O LYS A 48 -18.046 -11.422 -2.702 1.00 0.00 O ATOM 749 CB LYS A 48 -17.587 -12.141 -0.061 1.00 0.00 C ATOM 750 CG LYS A 48 -17.689 -13.599 0.390 1.00 0.00 C ATOM 751 CD LYS A 48 -18.857 -14.277 -0.328 1.00 0.00 C ATOM 752 CE LYS A 48 -18.753 -15.794 -0.155 1.00 0.00 C ATOM 753 NZ LYS A 48 -20.145 -16.297 -0.316 1.00 0.00 N ATOM 0 H LYS A 48 -14.515 -11.482 -0.216 1.00 0.00 H new ATOM 0 HA LYS A 48 -15.978 -12.951 -1.290 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -17.441 -11.492 0.802 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -18.516 -11.832 -0.539 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -16.760 -14.124 0.170 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -17.835 -13.647 1.469 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -19.804 -13.918 0.077 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -18.845 -14.020 -1.387 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -18.087 -16.231 -0.899 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -18.351 -16.053 0.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -20.155 -17.332 -0.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -20.755 -15.869 0.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -20.499 -16.042 -1.260 1.00 0.00 H new ATOM 767 N VAL A 49 -15.984 -10.761 -3.065 1.00 0.00 N ATOM 768 CA VAL A 49 -16.359 -10.131 -4.355 1.00 0.00 C ATOM 769 C VAL A 49 -15.606 -10.803 -5.505 1.00 0.00 C ATOM 770 O VAL A 49 -15.045 -11.872 -5.357 1.00 0.00 O ATOM 771 CB VAL A 49 -15.958 -8.654 -4.195 1.00 0.00 C ATOM 772 CG1 VAL A 49 -14.646 -8.342 -4.928 1.00 0.00 C ATOM 773 CG2 VAL A 49 -17.072 -7.781 -4.754 1.00 0.00 C ATOM 0 H VAL A 49 -14.999 -10.680 -2.814 1.00 0.00 H new ATOM 0 HA VAL A 49 -17.419 -10.232 -4.589 1.00 0.00 H new ATOM 0 HB VAL A 49 -15.804 -8.450 -3.135 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -14.395 -7.290 -4.793 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.846 -8.961 -4.522 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -14.764 -8.553 -5.991 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -16.800 -6.731 -4.647 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -17.220 -8.011 -5.809 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -17.995 -7.974 -4.207 1.00 0.00 H new ATOM 783 N LYS A 50 -15.576 -10.173 -6.641 1.00 0.00 N ATOM 784 CA LYS A 50 -14.844 -10.759 -7.797 1.00 0.00 C ATOM 785 C LYS A 50 -13.678 -9.848 -8.173 1.00 0.00 C ATOM 786 O LYS A 50 -13.854 -8.828 -8.809 1.00 0.00 O ATOM 787 CB LYS A 50 -15.857 -10.832 -8.939 1.00 0.00 C ATOM 788 CG LYS A 50 -15.514 -12.021 -9.837 1.00 0.00 C ATOM 789 CD LYS A 50 -14.680 -11.537 -11.025 1.00 0.00 C ATOM 790 CE LYS A 50 -15.359 -11.956 -12.331 1.00 0.00 C ATOM 791 NZ LYS A 50 -14.347 -12.789 -13.040 1.00 0.00 N ATOM 0 H LYS A 50 -16.027 -9.276 -6.822 1.00 0.00 H new ATOM 0 HA LYS A 50 -14.436 -11.744 -7.570 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -16.866 -10.941 -8.540 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -15.840 -9.908 -9.516 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -14.960 -12.770 -9.271 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -16.427 -12.499 -10.191 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.573 -10.453 -10.990 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.676 -11.958 -10.974 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -16.271 -12.521 -12.138 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -15.642 -11.087 -12.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.739 -13.115 -13.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.493 -12.223 -13.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.102 -13.612 -12.453 1.00 0.00 H new ATOM 805 N VAL A 51 -12.491 -10.202 -7.776 1.00 0.00 N ATOM 806 CA VAL A 51 -11.319 -9.348 -8.102 1.00 0.00 C ATOM 807 C VAL A 51 -10.891 -9.571 -9.550 1.00 0.00 C ATOM 808 O VAL A 51 -10.530 -10.662 -9.944 1.00 0.00 O ATOM 809 CB VAL A 51 -10.227 -9.803 -7.138 1.00 0.00 C ATOM 810 CG1 VAL A 51 -8.870 -9.284 -7.618 1.00 0.00 C ATOM 811 CG2 VAL A 51 -10.525 -9.246 -5.744 1.00 0.00 C ATOM 0 H VAL A 51 -12.281 -11.044 -7.241 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.536 -8.285 -8.000 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.202 -10.892 -7.100 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.091 -9.610 -6.928 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.661 -9.677 -8.613 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.889 -8.195 -7.655 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.748 -9.567 -5.050 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.547 -8.157 -5.784 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.492 -9.616 -5.403 1.00 0.00 H new ATOM 821 N VAL A 52 -10.930 -8.540 -10.343 1.00 0.00 N ATOM 822 CA VAL A 52 -10.527 -8.675 -11.766 1.00 0.00 C ATOM 823 C VAL A 52 -9.118 -8.109 -11.966 1.00 0.00 C ATOM 824 O VAL A 52 -8.563 -8.163 -13.046 1.00 0.00 O ATOM 825 CB VAL A 52 -11.569 -7.873 -12.547 1.00 0.00 C ATOM 826 CG1 VAL A 52 -11.418 -6.381 -12.270 1.00 0.00 C ATOM 827 CG2 VAL A 52 -11.383 -8.115 -14.036 1.00 0.00 C ATOM 0 H VAL A 52 -11.226 -7.604 -10.064 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.493 -9.712 -12.100 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.561 -8.197 -12.231 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.168 -5.828 -12.835 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.554 -6.193 -11.205 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.423 -6.054 -12.572 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.125 -7.544 -14.593 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -10.383 -7.799 -14.334 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.507 -9.177 -14.250 1.00 0.00 H new ATOM 837 N LYS A 53 -8.531 -7.576 -10.927 1.00 0.00 N ATOM 838 CA LYS A 53 -7.156 -7.018 -11.048 1.00 0.00 C ATOM 839 C LYS A 53 -6.700 -6.441 -9.699 1.00 0.00 C ATOM 840 O LYS A 53 -7.480 -5.875 -8.958 1.00 0.00 O ATOM 841 CB LYS A 53 -7.258 -5.942 -12.149 1.00 0.00 C ATOM 842 CG LYS A 53 -7.346 -4.531 -11.551 1.00 0.00 C ATOM 843 CD LYS A 53 -5.958 -3.889 -11.551 1.00 0.00 C ATOM 844 CE LYS A 53 -5.684 -3.267 -12.922 1.00 0.00 C ATOM 845 NZ LYS A 53 -4.793 -4.241 -13.613 1.00 0.00 N ATOM 0 H LYS A 53 -8.947 -7.504 -9.999 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.411 -7.769 -11.312 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.389 -6.007 -12.804 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.137 -6.133 -12.765 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.040 -3.922 -12.130 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.736 -4.579 -10.534 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.899 -3.126 -10.775 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.199 -4.637 -11.321 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.609 -3.114 -13.478 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.205 -2.293 -12.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.935 -3.754 -13.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.529 -4.999 -12.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.292 -4.650 -14.428 1.00 0.00 H new ATOM 859 N VAL A 54 -5.447 -6.583 -9.375 1.00 0.00 N ATOM 860 CA VAL A 54 -4.946 -6.039 -8.079 1.00 0.00 C ATOM 861 C VAL A 54 -3.631 -5.283 -8.297 1.00 0.00 C ATOM 862 O VAL A 54 -2.638 -5.853 -8.703 1.00 0.00 O ATOM 863 CB VAL A 54 -4.755 -7.268 -7.165 1.00 0.00 C ATOM 864 CG1 VAL A 54 -3.403 -7.211 -6.440 1.00 0.00 C ATOM 865 CG2 VAL A 54 -5.867 -7.287 -6.118 1.00 0.00 C ATOM 0 H VAL A 54 -4.746 -7.052 -9.949 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.637 -5.325 -7.631 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.787 -8.165 -7.783 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.294 -8.089 -5.803 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.597 -7.193 -7.174 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.356 -6.310 -5.828 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.740 -8.152 -5.468 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.821 -6.375 -5.522 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.835 -7.347 -6.616 1.00 0.00 H new ATOM 875 N ASN A 55 -3.609 -4.015 -8.007 1.00 0.00 N ATOM 876 CA ASN A 55 -2.349 -3.245 -8.173 1.00 0.00 C ATOM 877 C ASN A 55 -1.920 -2.688 -6.821 1.00 0.00 C ATOM 878 O ASN A 55 -2.605 -1.886 -6.221 1.00 0.00 O ATOM 879 CB ASN A 55 -2.682 -2.118 -9.152 1.00 0.00 C ATOM 880 CG ASN A 55 -1.595 -2.038 -10.226 1.00 0.00 C ATOM 881 OD1 ASN A 55 -0.633 -2.780 -10.189 1.00 0.00 O ATOM 882 ND2 ASN A 55 -1.708 -1.163 -11.187 1.00 0.00 N ATOM 0 H ASN A 55 -4.406 -3.480 -7.663 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.528 -3.856 -8.549 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.652 -2.298 -9.614 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.754 -1.169 -8.620 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.989 -1.101 -11.908 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.515 -0.541 -11.218 1.00 0.00 H new ATOM 889 N THR A 56 -0.797 -3.119 -6.328 1.00 0.00 N ATOM 890 CA THR A 56 -0.339 -2.627 -5.000 1.00 0.00 C ATOM 891 C THR A 56 0.965 -1.839 -5.150 1.00 0.00 C ATOM 892 O THR A 56 1.624 -1.895 -6.169 1.00 0.00 O ATOM 893 CB THR A 56 -0.120 -3.880 -4.121 1.00 0.00 C ATOM 894 OG1 THR A 56 1.245 -3.952 -3.736 1.00 0.00 O ATOM 895 CG2 THR A 56 -0.497 -5.163 -4.876 1.00 0.00 C ATOM 0 H THR A 56 -0.177 -3.788 -6.784 1.00 0.00 H new ATOM 0 HA THR A 56 -1.072 -1.958 -4.549 1.00 0.00 H new ATOM 0 HB THR A 56 -0.759 -3.796 -3.242 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.808 -4.012 -4.536 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.332 -6.026 -4.231 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.547 -5.121 -5.164 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.120 -5.254 -5.770 1.00 0.00 H new ATOM 903 N LEU A 57 1.337 -1.105 -4.140 1.00 0.00 N ATOM 904 CA LEU A 57 2.595 -0.310 -4.217 1.00 0.00 C ATOM 905 C LEU A 57 3.157 -0.083 -2.812 1.00 0.00 C ATOM 906 O LEU A 57 2.424 -0.020 -1.845 1.00 0.00 O ATOM 907 CB LEU A 57 2.181 1.020 -4.850 1.00 0.00 C ATOM 908 CG LEU A 57 0.908 1.534 -4.175 1.00 0.00 C ATOM 909 CD1 LEU A 57 0.998 3.050 -4.003 1.00 0.00 C ATOM 910 CD2 LEU A 57 -0.303 1.190 -5.045 1.00 0.00 C ATOM 0 H LEU A 57 0.824 -1.021 -3.263 1.00 0.00 H new ATOM 0 HA LEU A 57 3.371 -0.813 -4.794 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.982 1.751 -4.742 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.011 0.889 -5.919 1.00 0.00 H new ATOM 0 HG LEU A 57 0.799 1.064 -3.197 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.091 3.416 -3.522 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.861 3.295 -3.384 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.106 3.521 -4.980 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.211 1.556 -4.566 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.194 1.660 -6.022 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.367 0.109 -5.168 1.00 0.00 H new ATOM 922 N HIS A 58 4.451 0.037 -2.688 1.00 0.00 N ATOM 923 CA HIS A 58 5.043 0.258 -1.338 1.00 0.00 C ATOM 924 C HIS A 58 4.637 1.632 -0.805 1.00 0.00 C ATOM 925 O HIS A 58 4.834 2.644 -1.448 1.00 0.00 O ATOM 926 CB HIS A 58 6.555 0.188 -1.541 1.00 0.00 C ATOM 927 CG HIS A 58 7.230 0.082 -0.201 1.00 0.00 C ATOM 928 ND1 HIS A 58 8.536 -0.359 -0.063 1.00 0.00 N ATOM 929 CD2 HIS A 58 6.789 0.353 1.073 1.00 0.00 C ATOM 930 CE1 HIS A 58 8.834 -0.341 1.249 1.00 0.00 C ATOM 931 NE2 HIS A 58 7.804 0.085 1.986 1.00 0.00 N ATOM 0 H HIS A 58 5.120 -0.008 -3.457 1.00 0.00 H new ATOM 0 HA HIS A 58 4.700 -0.481 -0.614 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.811 -0.672 -2.160 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.905 1.076 -2.068 1.00 0.00 H new ATOM 0 HD1 HIS A 58 9.159 -0.645 -0.819 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.805 0.718 1.326 1.00 0.00 H new ATOM 0 HE1 HIS A 58 9.790 -0.635 1.657 1.00 0.00 H new ATOM 939 N VAL A 59 4.068 1.673 0.366 1.00 0.00 N ATOM 940 CA VAL A 59 3.642 2.978 0.950 1.00 0.00 C ATOM 941 C VAL A 59 4.373 3.220 2.272 1.00 0.00 C ATOM 942 O VAL A 59 4.521 2.326 3.082 1.00 0.00 O ATOM 943 CB VAL A 59 2.126 2.876 1.198 1.00 0.00 C ATOM 944 CG1 VAL A 59 1.398 3.878 0.301 1.00 0.00 C ATOM 945 CG2 VAL A 59 1.604 1.464 0.891 1.00 0.00 C ATOM 0 H VAL A 59 3.878 0.857 0.947 1.00 0.00 H new ATOM 0 HA VAL A 59 3.876 3.805 0.280 1.00 0.00 H new ATOM 0 HB VAL A 59 1.939 3.095 2.249 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.324 3.808 0.474 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.738 4.887 0.532 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.612 3.654 -0.744 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.531 1.425 1.076 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.801 1.222 -0.153 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.109 0.742 1.532 1.00 0.00 H new ATOM 955 N ARG A 60 4.832 4.420 2.499 1.00 0.00 N ATOM 956 CA ARG A 60 5.554 4.713 3.774 1.00 0.00 C ATOM 957 C ARG A 60 5.495 6.205 4.092 1.00 0.00 C ATOM 958 O ARG A 60 4.740 6.952 3.502 1.00 0.00 O ATOM 959 CB ARG A 60 7.009 4.285 3.547 1.00 0.00 C ATOM 960 CG ARG A 60 7.409 4.515 2.085 1.00 0.00 C ATOM 961 CD ARG A 60 6.979 3.310 1.245 1.00 0.00 C ATOM 962 NE ARG A 60 8.223 2.838 0.575 1.00 0.00 N ATOM 963 CZ ARG A 60 9.287 2.573 1.283 1.00 0.00 C ATOM 964 NH1 ARG A 60 9.165 2.147 2.511 1.00 0.00 N ATOM 965 NH2 ARG A 60 10.473 2.735 0.763 1.00 0.00 N ATOM 0 H ARG A 60 4.740 5.210 1.860 1.00 0.00 H new ATOM 0 HA ARG A 60 5.103 4.182 4.612 1.00 0.00 H new ATOM 0 HB2 ARG A 60 7.669 4.851 4.205 1.00 0.00 H new ATOM 0 HB3 ARG A 60 7.130 3.232 3.803 1.00 0.00 H new ATOM 0 HG2 ARG A 60 6.939 5.423 1.706 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.487 4.659 2.010 1.00 0.00 H new ATOM 0 HD2 ARG A 60 6.547 2.528 1.870 1.00 0.00 H new ATOM 0 HD3 ARG A 60 6.220 3.590 0.514 1.00 0.00 H new ATOM 0 HE ARG A 60 8.243 2.722 -0.438 1.00 0.00 H new ATOM 0 HH11 ARG A 60 8.238 2.021 2.917 1.00 0.00 H new ATOM 0 HH12 ARG A 60 9.997 1.940 3.064 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.568 3.069 -0.196 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.305 2.528 1.316 1.00 0.00 H new ATOM 979 N GLY A 61 6.290 6.639 5.027 1.00 0.00 N ATOM 980 CA GLY A 61 6.294 8.078 5.397 1.00 0.00 C ATOM 981 C GLY A 61 4.862 8.542 5.669 1.00 0.00 C ATOM 982 O GLY A 61 4.411 9.539 5.143 1.00 0.00 O ATOM 0 H GLY A 61 6.940 6.055 5.553 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.912 8.235 6.281 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.732 8.669 4.593 1.00 0.00 H new ATOM 986 N LYS A 62 4.145 7.824 6.490 1.00 0.00 N ATOM 987 CA LYS A 62 2.741 8.221 6.797 1.00 0.00 C ATOM 988 C LYS A 62 2.567 8.414 8.306 1.00 0.00 C ATOM 989 O LYS A 62 1.841 9.281 8.750 1.00 0.00 O ATOM 990 CB LYS A 62 1.883 7.056 6.304 1.00 0.00 C ATOM 991 CG LYS A 62 0.559 7.593 5.756 1.00 0.00 C ATOM 992 CD LYS A 62 0.797 8.237 4.389 1.00 0.00 C ATOM 993 CE LYS A 62 0.033 9.561 4.310 1.00 0.00 C ATOM 994 NZ LYS A 62 -1.403 9.173 4.243 1.00 0.00 N ATOM 0 H LYS A 62 4.470 6.980 6.961 1.00 0.00 H new ATOM 0 HA LYS A 62 2.463 9.161 6.321 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.413 6.503 5.528 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.695 6.358 7.120 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.165 6.783 5.667 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.137 8.324 6.446 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.862 8.410 4.237 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.466 7.566 3.596 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.233 10.185 5.181 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.328 10.135 3.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.977 10.006 4.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.531 8.441 3.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.705 8.801 5.166 1.00 0.00 H new ATOM 1008 N LYS A 63 3.228 7.613 9.095 1.00 0.00 N ATOM 1009 CA LYS A 63 3.100 7.750 10.574 1.00 0.00 C ATOM 1010 C LYS A 63 3.589 9.131 11.021 1.00 0.00 C ATOM 1011 O LYS A 63 4.583 9.634 10.537 1.00 0.00 O ATOM 1012 CB LYS A 63 3.992 6.652 11.152 1.00 0.00 C ATOM 1013 CG LYS A 63 3.121 5.575 11.800 1.00 0.00 C ATOM 1014 CD LYS A 63 2.086 5.080 10.787 1.00 0.00 C ATOM 1015 CE LYS A 63 1.290 3.922 11.394 1.00 0.00 C ATOM 1016 NZ LYS A 63 0.185 4.571 12.153 1.00 0.00 N ATOM 0 H LYS A 63 3.851 6.869 8.780 1.00 0.00 H new ATOM 0 HA LYS A 63 2.068 7.655 10.910 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.604 6.214 10.364 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.675 7.074 11.889 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.741 4.745 12.138 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.620 5.978 12.681 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.414 5.893 10.512 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.583 4.754 9.873 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.902 3.261 10.619 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.914 3.314 12.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.406 3.840 12.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.585 5.189 12.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.397 5.138 11.503 1.00 0.00 H new ATOM 1030 N LYS A 64 2.895 9.745 11.941 1.00 0.00 N ATOM 1031 CA LYS A 64 3.314 11.092 12.422 1.00 0.00 C ATOM 1032 C LYS A 64 4.835 11.148 12.588 1.00 0.00 C ATOM 1033 O LYS A 64 5.375 10.741 13.597 1.00 0.00 O ATOM 1034 CB LYS A 64 2.620 11.261 13.773 1.00 0.00 C ATOM 1035 CG LYS A 64 1.326 12.055 13.588 1.00 0.00 C ATOM 1036 CD LYS A 64 0.990 12.794 14.884 1.00 0.00 C ATOM 1037 CE LYS A 64 -0.505 13.119 14.916 1.00 0.00 C ATOM 1038 NZ LYS A 64 -1.176 11.817 15.187 1.00 0.00 N ATOM 0 H LYS A 64 2.054 9.371 12.381 1.00 0.00 H new ATOM 0 HA LYS A 64 3.044 11.883 11.722 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.401 10.285 14.206 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.279 11.778 14.470 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.437 12.767 12.770 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.511 11.384 13.318 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.258 12.181 15.744 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.574 13.712 14.953 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.734 13.850 15.692 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.837 13.545 13.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.856 11.612 14.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.463 11.061 15.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.678 11.868 16.097 1.00 0.00 H new ATOM 1052 N ARG A 65 5.531 11.650 11.604 1.00 0.00 N ATOM 1053 CA ARG A 65 7.016 11.731 11.706 1.00 0.00 C ATOM 1054 C ARG A 65 7.453 13.181 11.921 1.00 0.00 C ATOM 1055 O ARG A 65 7.988 13.534 12.953 1.00 0.00 O ATOM 1056 CB ARG A 65 7.538 11.228 10.362 1.00 0.00 C ATOM 1057 CG ARG A 65 8.270 9.899 10.561 1.00 0.00 C ATOM 1058 CD ARG A 65 9.185 9.633 9.365 1.00 0.00 C ATOM 1059 NE ARG A 65 10.087 10.816 9.300 1.00 0.00 N ATOM 1060 CZ ARG A 65 10.942 11.036 10.261 1.00 0.00 C ATOM 1061 NH1 ARG A 65 11.951 10.226 10.437 1.00 0.00 N ATOM 1062 NH2 ARG A 65 10.791 12.067 11.045 1.00 0.00 N ATOM 0 H ARG A 65 5.135 12.007 10.734 1.00 0.00 H new ATOM 0 HA ARG A 65 7.398 11.147 12.543 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.711 11.098 9.665 1.00 0.00 H new ATOM 0 HB3 ARG A 65 8.212 11.964 9.924 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.855 9.929 11.480 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.550 9.088 10.668 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.752 8.711 9.499 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.611 9.523 8.445 1.00 0.00 H new ATOM 0 HE ARG A 65 10.037 11.454 8.505 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.071 9.420 9.823 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.619 10.399 11.188 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.004 12.702 10.907 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.459 12.239 11.796 1.00 0.00 H new ATOM 1076 N LEU A 66 7.239 14.021 10.948 1.00 0.00 N ATOM 1077 CA LEU A 66 7.652 15.443 11.092 1.00 0.00 C ATOM 1078 C LEU A 66 9.103 15.508 11.572 1.00 0.00 C ATOM 1079 O LEU A 66 9.754 14.497 11.742 1.00 0.00 O ATOM 1080 CB LEU A 66 6.708 16.030 12.142 1.00 0.00 C ATOM 1081 CG LEU A 66 5.911 17.179 11.523 1.00 0.00 C ATOM 1082 CD1 LEU A 66 5.131 16.666 10.311 1.00 0.00 C ATOM 1083 CD2 LEU A 66 4.932 17.736 12.559 1.00 0.00 C ATOM 0 H LEU A 66 6.796 13.784 10.060 1.00 0.00 H new ATOM 0 HA LEU A 66 7.596 15.993 10.153 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.030 15.259 12.509 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.278 16.388 12.999 1.00 0.00 H new ATOM 0 HG LEU A 66 6.596 17.966 11.208 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.563 17.485 9.870 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.827 16.268 9.572 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.446 15.878 10.626 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.363 18.555 12.119 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.248 16.948 12.874 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.486 18.102 13.423 1.00 0.00 H new ATOM 1095 N GLY A 67 9.616 16.685 11.787 1.00 0.00 N ATOM 1096 CA GLY A 67 11.020 16.808 12.248 1.00 0.00 C ATOM 1097 C GLY A 67 11.086 16.706 13.770 1.00 0.00 C ATOM 1098 O GLY A 67 11.850 17.394 14.419 1.00 0.00 O ATOM 0 H GLY A 67 9.121 17.568 11.662 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.629 16.024 11.797 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.435 17.761 11.922 1.00 0.00 H new ATOM 1102 N ARG A 68 10.292 15.850 14.342 1.00 0.00 N ATOM 1103 CA ARG A 68 10.296 15.689 15.825 1.00 0.00 C ATOM 1104 C ARG A 68 9.982 14.246 16.172 1.00 0.00 C ATOM 1105 O ARG A 68 9.586 13.912 17.271 1.00 0.00 O ATOM 1106 CB ARG A 68 9.192 16.612 16.325 1.00 0.00 C ATOM 1107 CG ARG A 68 9.137 17.861 15.449 1.00 0.00 C ATOM 1108 CD ARG A 68 8.007 18.777 15.924 1.00 0.00 C ATOM 1109 NE ARG A 68 6.773 18.212 15.311 1.00 0.00 N ATOM 1110 CZ ARG A 68 5.661 18.179 15.995 1.00 0.00 C ATOM 1111 NH1 ARG A 68 5.307 19.208 16.715 1.00 0.00 N ATOM 1112 NH2 ARG A 68 4.906 17.115 15.959 1.00 0.00 N ATOM 0 H ARG A 68 9.634 15.249 13.845 1.00 0.00 H new ATOM 0 HA ARG A 68 11.258 15.933 16.275 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.233 16.095 16.301 1.00 0.00 H new ATOM 0 HB3 ARG A 68 9.378 16.890 17.362 1.00 0.00 H new ATOM 0 HG2 ARG A 68 10.089 18.390 15.493 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.977 17.580 14.408 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.938 18.788 17.012 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.172 19.806 15.604 1.00 0.00 H new ATOM 0 HE ARG A 68 6.796 17.851 14.357 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.899 20.038 16.744 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.438 19.182 17.249 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.185 16.311 15.397 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.037 17.088 16.493 1.00 0.00 H new ATOM 1126 N TYR A 69 10.155 13.404 15.217 1.00 0.00 N ATOM 1127 CA TYR A 69 9.874 11.958 15.408 1.00 0.00 C ATOM 1128 C TYR A 69 10.970 11.122 14.742 1.00 0.00 C ATOM 1129 O TYR A 69 12.042 11.609 14.447 1.00 0.00 O ATOM 1130 CB TYR A 69 8.535 11.750 14.710 1.00 0.00 C ATOM 1131 CG TYR A 69 7.842 10.529 15.269 1.00 0.00 C ATOM 1132 CD1 TYR A 69 7.518 10.472 16.630 1.00 0.00 C ATOM 1133 CD2 TYR A 69 7.522 9.456 14.428 1.00 0.00 C ATOM 1134 CE1 TYR A 69 6.875 9.342 17.150 1.00 0.00 C ATOM 1135 CE2 TYR A 69 6.880 8.326 14.949 1.00 0.00 C ATOM 1136 CZ TYR A 69 6.556 8.269 16.309 1.00 0.00 C ATOM 1137 OH TYR A 69 5.922 7.155 16.821 1.00 0.00 O ATOM 0 H TYR A 69 10.487 13.654 14.285 1.00 0.00 H new ATOM 0 HA TYR A 69 9.847 11.660 16.456 1.00 0.00 H new ATOM 0 HB2 TYR A 69 7.905 12.629 14.845 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.690 11.631 13.638 1.00 0.00 H new ATOM 0 HD1 TYR A 69 7.764 11.300 17.279 1.00 0.00 H new ATOM 0 HD2 TYR A 69 7.770 9.500 13.378 1.00 0.00 H new ATOM 0 HE1 TYR A 69 6.625 9.298 18.200 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.635 7.498 14.301 1.00 0.00 H new ATOM 0 HH TYR A 69 5.773 6.505 16.103 1.00 0.00 H new ATOM 1147 N LEU A 70 10.703 9.872 14.501 1.00 0.00 N ATOM 1148 CA LEU A 70 11.720 8.999 13.851 1.00 0.00 C ATOM 1149 C LEU A 70 11.061 7.711 13.360 1.00 0.00 C ATOM 1150 O LEU A 70 10.774 6.813 14.126 1.00 0.00 O ATOM 1151 CB LEU A 70 12.738 8.687 14.941 1.00 0.00 C ATOM 1152 CG LEU A 70 13.809 9.779 14.974 1.00 0.00 C ATOM 1153 CD1 LEU A 70 13.625 10.639 16.226 1.00 0.00 C ATOM 1154 CD2 LEU A 70 15.194 9.130 15.001 1.00 0.00 C ATOM 0 H LEU A 70 9.820 9.413 14.727 1.00 0.00 H new ATOM 0 HA LEU A 70 12.183 9.479 12.989 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.241 8.623 15.909 1.00 0.00 H new ATOM 0 HB3 LEU A 70 13.199 7.717 14.754 1.00 0.00 H new ATOM 0 HG LEU A 70 13.716 10.406 14.087 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.388 11.417 16.249 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.638 11.100 16.209 1.00 0.00 H new ATOM 0 HD13 LEU A 70 13.718 10.014 17.114 1.00 0.00 H new ATOM 0 HD21 LEU A 70 15.959 9.906 15.025 1.00 0.00 H new ATOM 0 HD22 LEU A 70 15.285 8.504 15.888 1.00 0.00 H new ATOM 0 HD23 LEU A 70 15.326 8.517 14.109 1.00 0.00 H new ATOM 1166 N GLY A 71 10.822 7.619 12.088 1.00 0.00 N ATOM 1167 CA GLY A 71 10.181 6.395 11.531 1.00 0.00 C ATOM 1168 C GLY A 71 10.766 6.094 10.151 1.00 0.00 C ATOM 1169 O GLY A 71 10.122 6.283 9.138 1.00 0.00 O ATOM 0 H GLY A 71 11.043 8.341 11.402 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.345 5.550 12.199 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.103 6.538 11.457 1.00 0.00 H new ATOM 1173 N LYS A 72 11.983 5.626 10.101 1.00 0.00 N ATOM 1174 CA LYS A 72 12.608 5.313 8.784 1.00 0.00 C ATOM 1175 C LYS A 72 11.609 4.580 7.887 1.00 0.00 C ATOM 1176 O LYS A 72 10.631 4.029 8.352 1.00 0.00 O ATOM 1177 CB LYS A 72 13.794 4.408 9.116 1.00 0.00 C ATOM 1178 CG LYS A 72 14.859 5.215 9.861 1.00 0.00 C ATOM 1179 CD LYS A 72 16.231 4.945 9.240 1.00 0.00 C ATOM 1180 CE LYS A 72 16.817 3.663 9.835 1.00 0.00 C ATOM 1181 NZ LYS A 72 16.739 2.660 8.737 1.00 0.00 N ATOM 0 H LYS A 72 12.572 5.447 10.915 1.00 0.00 H new ATOM 0 HA LYS A 72 12.917 6.211 8.248 1.00 0.00 H new ATOM 0 HB2 LYS A 72 13.464 3.569 9.728 1.00 0.00 H new ATOM 0 HB3 LYS A 72 14.213 3.990 8.201 1.00 0.00 H new ATOM 0 HG2 LYS A 72 14.627 6.279 9.809 1.00 0.00 H new ATOM 0 HG3 LYS A 72 14.865 4.942 10.916 1.00 0.00 H new ATOM 0 HD2 LYS A 72 16.140 4.848 8.158 1.00 0.00 H new ATOM 0 HD3 LYS A 72 16.899 5.785 9.429 1.00 0.00 H new ATOM 0 HE2 LYS A 72 17.846 3.813 10.160 1.00 0.00 H new ATOM 0 HE3 LYS A 72 16.251 3.338 10.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 17.184 1.772 9.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 15.742 2.483 8.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 17.236 3.024 7.899 1.00 0.00 H new ATOM 1195 N ARG A 73 11.847 4.569 6.603 1.00 0.00 N ATOM 1196 CA ARG A 73 10.910 3.871 5.677 1.00 0.00 C ATOM 1197 C ARG A 73 10.481 2.528 6.275 1.00 0.00 C ATOM 1198 O ARG A 73 11.222 1.566 6.239 1.00 0.00 O ATOM 1199 CB ARG A 73 11.713 3.654 4.394 1.00 0.00 C ATOM 1200 CG ARG A 73 11.436 4.800 3.418 1.00 0.00 C ATOM 1201 CD ARG A 73 12.554 4.867 2.377 1.00 0.00 C ATOM 1202 NE ARG A 73 13.504 5.888 2.899 1.00 0.00 N ATOM 1203 CZ ARG A 73 14.080 6.723 2.078 1.00 0.00 C ATOM 1204 NH1 ARG A 73 14.398 6.338 0.873 1.00 0.00 N ATOM 1205 NH2 ARG A 73 14.339 7.942 2.462 1.00 0.00 N ATOM 0 H ARG A 73 12.649 5.013 6.156 1.00 0.00 H new ATOM 0 HA ARG A 73 10.001 4.444 5.497 1.00 0.00 H new ATOM 0 HB2 ARG A 73 12.778 3.606 4.623 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.442 2.701 3.939 1.00 0.00 H new ATOM 0 HG2 ARG A 73 10.475 4.648 2.926 1.00 0.00 H new ATOM 0 HG3 ARG A 73 11.371 5.744 3.959 1.00 0.00 H new ATOM 0 HD2 ARG A 73 13.041 3.899 2.257 1.00 0.00 H new ATOM 0 HD3 ARG A 73 12.166 5.152 1.399 1.00 0.00 H new ATOM 0 HE ARG A 73 13.704 5.935 3.898 1.00 0.00 H new ATOM 0 HH11 ARG A 73 14.196 5.384 0.572 1.00 0.00 H new ATOM 0 HH12 ARG A 73 14.848 6.991 0.231 1.00 0.00 H new ATOM 0 HH21 ARG A 73 14.091 8.243 3.405 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.789 8.594 1.820 1.00 0.00 H new ATOM 1219 N PRO A 74 9.291 2.513 6.810 1.00 0.00 N ATOM 1220 CA PRO A 74 8.747 1.280 7.430 1.00 0.00 C ATOM 1221 C PRO A 74 8.365 0.264 6.355 1.00 0.00 C ATOM 1222 O PRO A 74 8.728 0.393 5.203 1.00 0.00 O ATOM 1223 CB PRO A 74 7.510 1.768 8.174 1.00 0.00 C ATOM 1224 CG PRO A 74 7.095 3.012 7.457 1.00 0.00 C ATOM 1225 CD PRO A 74 8.345 3.632 6.887 1.00 0.00 C ATOM 0 HA PRO A 74 9.463 0.779 8.082 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.718 1.019 8.157 1.00 0.00 H new ATOM 0 HB3 PRO A 74 7.734 1.972 9.221 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.384 2.781 6.664 1.00 0.00 H new ATOM 0 HG3 PRO A 74 6.599 3.703 8.139 1.00 0.00 H new ATOM 0 HD2 PRO A 74 8.162 4.069 5.905 1.00 0.00 H new ATOM 0 HD3 PRO A 74 8.722 4.431 7.526 1.00 0.00 H new ATOM 1233 N ASP A 75 7.618 -0.738 6.723 1.00 0.00 N ATOM 1234 CA ASP A 75 7.192 -1.755 5.731 1.00 0.00 C ATOM 1235 C ASP A 75 5.677 -1.691 5.567 1.00 0.00 C ATOM 1236 O ASP A 75 4.933 -2.366 6.249 1.00 0.00 O ATOM 1237 CB ASP A 75 7.615 -3.099 6.325 1.00 0.00 C ATOM 1238 CG ASP A 75 9.074 -3.380 5.965 1.00 0.00 C ATOM 1239 OD1 ASP A 75 9.718 -2.485 5.441 1.00 0.00 O ATOM 1240 OD2 ASP A 75 9.525 -4.485 6.218 1.00 0.00 O ATOM 0 H ASP A 75 7.284 -0.895 7.674 1.00 0.00 H new ATOM 0 HA ASP A 75 7.636 -1.598 4.748 1.00 0.00 H new ATOM 0 HB2 ASP A 75 7.493 -3.084 7.408 1.00 0.00 H new ATOM 0 HB3 ASP A 75 6.975 -3.895 5.943 1.00 0.00 H new ATOM 1245 N ARG A 76 5.225 -0.879 4.665 1.00 0.00 N ATOM 1246 CA ARG A 76 3.760 -0.748 4.435 1.00 0.00 C ATOM 1247 C ARG A 76 3.480 -0.731 2.930 1.00 0.00 C ATOM 1248 O ARG A 76 4.000 0.091 2.203 1.00 0.00 O ATOM 1249 CB ARG A 76 3.392 0.587 5.088 1.00 0.00 C ATOM 1250 CG ARG A 76 2.060 1.099 4.535 1.00 0.00 C ATOM 1251 CD ARG A 76 1.894 2.571 4.916 1.00 0.00 C ATOM 1252 NE ARG A 76 0.786 2.590 5.911 1.00 0.00 N ATOM 1253 CZ ARG A 76 1.052 2.497 7.184 1.00 0.00 C ATOM 1254 NH1 ARG A 76 1.883 3.336 7.740 1.00 0.00 N ATOM 1255 NH2 ARG A 76 0.488 1.565 7.902 1.00 0.00 N ATOM 0 H ARG A 76 5.809 -0.293 4.069 1.00 0.00 H new ATOM 0 HA ARG A 76 3.179 -1.571 4.851 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.322 0.464 6.169 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.177 1.320 4.901 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.034 0.986 3.451 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.235 0.511 4.937 1.00 0.00 H new ATOM 0 HD2 ARG A 76 2.813 2.975 5.341 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.652 3.179 4.044 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.181 2.676 5.597 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.324 4.064 7.179 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.091 3.263 8.736 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.161 0.909 7.467 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.696 1.492 8.898 1.00 0.00 H new ATOM 1269 N LYS A 77 2.671 -1.639 2.457 1.00 0.00 N ATOM 1270 CA LYS A 77 2.367 -1.680 0.996 1.00 0.00 C ATOM 1271 C LYS A 77 0.866 -1.491 0.756 1.00 0.00 C ATOM 1272 O LYS A 77 0.041 -1.987 1.498 1.00 0.00 O ATOM 1273 CB LYS A 77 2.820 -3.068 0.539 1.00 0.00 C ATOM 1274 CG LYS A 77 2.200 -3.389 -0.823 1.00 0.00 C ATOM 1275 CD LYS A 77 2.718 -4.745 -1.309 1.00 0.00 C ATOM 1276 CE LYS A 77 1.543 -5.602 -1.785 1.00 0.00 C ATOM 1277 NZ LYS A 77 2.021 -6.239 -3.044 1.00 0.00 N ATOM 0 H LYS A 77 2.207 -2.354 3.017 1.00 0.00 H new ATOM 0 HA LYS A 77 2.871 -0.885 0.446 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.907 -3.103 0.472 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.522 -3.818 1.271 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.113 -3.409 -0.745 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.453 -2.611 -1.543 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.431 -4.604 -2.121 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.249 -5.253 -0.504 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.273 -6.351 -1.041 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.656 -4.994 -1.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.440 -7.077 -3.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.942 -5.560 -3.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.015 -6.526 -2.933 1.00 0.00 H new ATOM 1291 N LYS A 78 0.508 -0.778 -0.277 1.00 0.00 N ATOM 1292 CA LYS A 78 -0.938 -0.555 -0.570 1.00 0.00 C ATOM 1293 C LYS A 78 -1.388 -1.492 -1.695 1.00 0.00 C ATOM 1294 O LYS A 78 -0.623 -1.812 -2.579 1.00 0.00 O ATOM 1295 CB LYS A 78 -1.026 0.906 -1.020 1.00 0.00 C ATOM 1296 CG LYS A 78 -2.373 1.496 -0.598 1.00 0.00 C ATOM 1297 CD LYS A 78 -2.256 2.087 0.809 1.00 0.00 C ATOM 1298 CE LYS A 78 -3.045 3.398 0.884 1.00 0.00 C ATOM 1299 NZ LYS A 78 -2.386 4.302 -0.099 1.00 0.00 N ATOM 0 H LYS A 78 1.155 -0.339 -0.932 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.577 -0.754 0.290 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.212 1.482 -0.580 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.913 0.971 -2.102 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.680 2.268 -1.303 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.142 0.723 -0.616 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.638 1.379 1.545 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.209 2.267 1.053 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.094 3.242 0.634 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.016 3.819 1.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.105 5.184 0.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.543 3.835 -0.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.050 4.520 -0.870 1.00 0.00 H new ATOM 1313 N ALA A 79 -2.618 -1.942 -1.666 1.00 0.00 N ATOM 1314 CA ALA A 79 -3.099 -2.865 -2.742 1.00 0.00 C ATOM 1315 C ALA A 79 -4.397 -2.370 -3.357 1.00 0.00 C ATOM 1316 O ALA A 79 -5.382 -2.189 -2.678 1.00 0.00 O ATOM 1317 CB ALA A 79 -3.360 -4.192 -2.054 1.00 0.00 C ATOM 0 H ALA A 79 -3.306 -1.713 -0.949 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.363 -2.936 -3.543 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.716 -4.917 -2.786 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.437 -4.555 -1.602 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.115 -4.058 -1.279 1.00 0.00 H new ATOM 1323 N ILE A 80 -4.412 -2.179 -4.645 1.00 0.00 N ATOM 1324 CA ILE A 80 -5.656 -1.717 -5.309 1.00 0.00 C ATOM 1325 C ILE A 80 -6.281 -2.876 -6.081 1.00 0.00 C ATOM 1326 O ILE A 80 -5.732 -3.363 -7.047 1.00 0.00 O ATOM 1327 CB ILE A 80 -5.227 -0.606 -6.260 1.00 0.00 C ATOM 1328 CG1 ILE A 80 -4.901 0.656 -5.461 1.00 0.00 C ATOM 1329 CG2 ILE A 80 -6.370 -0.305 -7.229 1.00 0.00 C ATOM 1330 CD1 ILE A 80 -3.812 0.356 -4.432 1.00 0.00 C ATOM 0 H ILE A 80 -3.615 -2.323 -5.265 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.399 -1.360 -4.596 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.344 -0.923 -6.815 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.569 1.447 -6.134 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.797 1.020 -4.959 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.068 0.489 -7.912 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.609 -1.202 -7.799 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.249 0.013 -6.668 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.586 1.260 -3.867 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.160 -0.420 -3.750 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.913 0.013 -4.944 1.00 0.00 H new ATOM 1342 N VAL A 81 -7.419 -3.325 -5.651 1.00 0.00 N ATOM 1343 CA VAL A 81 -8.079 -4.465 -6.348 1.00 0.00 C ATOM 1344 C VAL A 81 -9.247 -3.967 -7.196 1.00 0.00 C ATOM 1345 O VAL A 81 -10.074 -3.200 -6.740 1.00 0.00 O ATOM 1346 CB VAL A 81 -8.585 -5.371 -5.227 1.00 0.00 C ATOM 1347 CG1 VAL A 81 -8.967 -6.734 -5.805 1.00 0.00 C ATOM 1348 CG2 VAL A 81 -7.481 -5.553 -4.182 1.00 0.00 C ATOM 0 H VAL A 81 -7.925 -2.955 -4.847 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.398 -4.984 -7.022 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.459 -4.917 -4.760 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.328 -7.380 -5.005 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.752 -6.606 -6.550 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.094 -7.189 -6.272 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.841 -6.199 -3.381 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.608 -6.007 -4.650 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.207 -4.582 -3.769 1.00 0.00 H new ATOM 1358 N GLN A 82 -9.342 -4.411 -8.419 1.00 0.00 N ATOM 1359 CA GLN A 82 -10.471 -3.977 -9.273 1.00 0.00 C ATOM 1360 C GLN A 82 -11.423 -5.135 -9.435 1.00 0.00 C ATOM 1361 O GLN A 82 -11.002 -6.258 -9.613 1.00 0.00 O ATOM 1362 CB GLN A 82 -9.855 -3.654 -10.628 1.00 0.00 C ATOM 1363 CG GLN A 82 -10.843 -2.839 -11.460 1.00 0.00 C ATOM 1364 CD GLN A 82 -10.413 -1.372 -11.481 1.00 0.00 C ATOM 1365 OE1 GLN A 82 -9.247 -1.066 -11.331 1.00 0.00 O ATOM 1366 NE2 GLN A 82 -11.313 -0.448 -11.667 1.00 0.00 N ATOM 0 H GLN A 82 -8.685 -5.055 -8.859 1.00 0.00 H new ATOM 0 HA GLN A 82 -11.007 -3.127 -8.852 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.929 -3.094 -10.494 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.598 -4.575 -11.150 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.886 -3.230 -12.477 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -11.846 -2.928 -11.042 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -12.291 -0.707 -11.793 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -11.039 0.534 -11.687 1.00 0.00 H new ATOM 1375 N VAL A 83 -12.693 -4.901 -9.413 1.00 0.00 N ATOM 1376 CA VAL A 83 -13.604 -6.042 -9.618 1.00 0.00 C ATOM 1377 C VAL A 83 -14.261 -5.911 -10.980 1.00 0.00 C ATOM 1378 O VAL A 83 -14.371 -4.834 -11.533 1.00 0.00 O ATOM 1379 CB VAL A 83 -14.640 -6.005 -8.500 1.00 0.00 C ATOM 1380 CG1 VAL A 83 -13.957 -5.661 -7.178 1.00 0.00 C ATOM 1381 CG2 VAL A 83 -15.705 -4.957 -8.818 1.00 0.00 C ATOM 0 H VAL A 83 -13.133 -3.992 -9.266 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.072 -6.993 -9.591 1.00 0.00 H new ATOM 0 HB VAL A 83 -15.114 -6.983 -8.416 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.700 -5.635 -6.381 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.205 -6.417 -6.949 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.478 -4.685 -7.259 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.443 -4.934 -8.017 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -15.236 -3.977 -8.908 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.197 -5.211 -9.757 1.00 0.00 H new ATOM 1391 N ALA A 84 -14.685 -6.996 -11.531 1.00 0.00 N ATOM 1392 CA ALA A 84 -15.320 -6.939 -12.867 1.00 0.00 C ATOM 1393 C ALA A 84 -16.452 -5.912 -12.875 1.00 0.00 C ATOM 1394 O ALA A 84 -16.748 -5.299 -11.868 1.00 0.00 O ATOM 1395 CB ALA A 84 -15.853 -8.341 -13.093 1.00 0.00 C ATOM 0 H ALA A 84 -14.621 -7.926 -11.117 1.00 0.00 H new ATOM 0 HA ALA A 84 -14.626 -6.634 -13.650 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -16.343 -8.392 -14.065 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -15.028 -9.053 -13.065 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -16.572 -8.587 -12.311 1.00 0.00 H new ATOM 1401 N PRO A 85 -17.040 -5.763 -14.024 1.00 0.00 N ATOM 1402 CA PRO A 85 -18.152 -4.800 -14.198 1.00 0.00 C ATOM 1403 C PRO A 85 -19.425 -5.322 -13.526 1.00 0.00 C ATOM 1404 O PRO A 85 -19.697 -6.506 -13.520 1.00 0.00 O ATOM 1405 CB PRO A 85 -18.322 -4.722 -15.713 1.00 0.00 C ATOM 1406 CG PRO A 85 -17.776 -6.006 -16.234 1.00 0.00 C ATOM 1407 CD PRO A 85 -16.725 -6.477 -15.261 1.00 0.00 C ATOM 0 HA PRO A 85 -17.953 -3.828 -13.747 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -19.370 -4.600 -15.986 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -17.784 -3.869 -16.126 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -18.568 -6.748 -16.332 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -17.346 -5.866 -17.226 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -16.767 -7.557 -15.120 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -15.721 -6.241 -15.613 1.00 0.00 H new ATOM 1415 N GLY A 86 -20.207 -4.445 -12.958 1.00 0.00 N ATOM 1416 CA GLY A 86 -21.461 -4.886 -12.284 1.00 0.00 C ATOM 1417 C GLY A 86 -21.180 -5.147 -10.803 1.00 0.00 C ATOM 1418 O GLY A 86 -22.058 -5.058 -9.969 1.00 0.00 O ATOM 0 H GLY A 86 -20.031 -3.441 -12.932 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -22.231 -4.122 -12.390 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -21.842 -5.791 -12.758 1.00 0.00 H new ATOM 1422 N GLN A 87 -19.961 -5.472 -10.470 1.00 0.00 N ATOM 1423 CA GLN A 87 -19.621 -5.742 -9.043 1.00 0.00 C ATOM 1424 C GLN A 87 -19.341 -4.433 -8.303 1.00 0.00 C ATOM 1425 O GLN A 87 -19.225 -3.382 -8.902 1.00 0.00 O ATOM 1426 CB GLN A 87 -18.361 -6.603 -9.095 1.00 0.00 C ATOM 1427 CG GLN A 87 -18.738 -8.036 -9.469 1.00 0.00 C ATOM 1428 CD GLN A 87 -17.616 -8.654 -10.301 1.00 0.00 C ATOM 1429 OE1 GLN A 87 -16.521 -8.130 -10.350 1.00 0.00 O ATOM 1430 NE2 GLN A 87 -17.842 -9.756 -10.964 1.00 0.00 N ATOM 0 H GLN A 87 -19.184 -5.563 -11.125 1.00 0.00 H new ATOM 0 HA GLN A 87 -20.436 -6.236 -8.514 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -17.661 -6.198 -9.825 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -17.858 -6.589 -8.128 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -18.906 -8.627 -8.568 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -19.671 -8.043 -10.033 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -18.761 -10.196 -10.923 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -17.099 -10.176 -11.523 1.00 0.00 H new ATOM 1439 N LYS A 88 -19.229 -4.489 -7.004 1.00 0.00 N ATOM 1440 CA LYS A 88 -18.952 -3.246 -6.225 1.00 0.00 C ATOM 1441 C LYS A 88 -18.871 -3.559 -4.727 1.00 0.00 C ATOM 1442 O LYS A 88 -19.743 -4.194 -4.168 1.00 0.00 O ATOM 1443 CB LYS A 88 -20.137 -2.325 -6.516 1.00 0.00 C ATOM 1444 CG LYS A 88 -21.444 -3.063 -6.218 1.00 0.00 C ATOM 1445 CD LYS A 88 -22.619 -2.090 -6.338 1.00 0.00 C ATOM 1446 CE LYS A 88 -23.167 -2.123 -7.766 1.00 0.00 C ATOM 1447 NZ LYS A 88 -22.056 -1.615 -8.616 1.00 0.00 N ATOM 0 H LYS A 88 -19.317 -5.340 -6.448 1.00 0.00 H new ATOM 0 HA LYS A 88 -18.001 -2.791 -6.503 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -20.069 -1.424 -5.906 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -20.116 -2.007 -7.558 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -21.572 -3.892 -6.914 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -21.413 -3.490 -5.216 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -23.403 -2.361 -5.630 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -22.296 -1.080 -6.085 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -23.455 -3.134 -8.055 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -24.055 -1.499 -7.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -22.444 -1.226 -9.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -21.542 -0.869 -8.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -21.404 -2.395 -8.838 1.00 0.00 H new ATOM 1461 N ILE A 89 -17.833 -3.112 -4.072 1.00 0.00 N ATOM 1462 CA ILE A 89 -17.701 -3.378 -2.610 1.00 0.00 C ATOM 1463 C ILE A 89 -18.336 -2.235 -1.811 1.00 0.00 C ATOM 1464 O ILE A 89 -17.895 -1.105 -1.868 1.00 0.00 O ATOM 1465 CB ILE A 89 -16.195 -3.445 -2.350 1.00 0.00 C ATOM 1466 CG1 ILE A 89 -15.651 -4.791 -2.838 1.00 0.00 C ATOM 1467 CG2 ILE A 89 -15.928 -3.302 -0.850 1.00 0.00 C ATOM 1468 CD1 ILE A 89 -14.223 -4.980 -2.325 1.00 0.00 C ATOM 0 H ILE A 89 -17.071 -2.575 -4.486 1.00 0.00 H new ATOM 0 HA ILE A 89 -18.204 -4.297 -2.309 1.00 0.00 H new ATOM 0 HB ILE A 89 -15.699 -2.636 -2.886 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -16.287 -5.602 -2.483 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -15.665 -4.828 -3.927 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -14.855 -3.350 -0.665 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -16.314 -2.344 -0.501 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -16.425 -4.110 -0.313 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -13.835 -5.938 -2.672 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -13.592 -4.175 -2.702 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -14.223 -4.962 -1.235 1.00 0.00 H new ATOM 1480 N GLU A 90 -19.373 -2.520 -1.072 1.00 0.00 N ATOM 1481 CA GLU A 90 -20.040 -1.452 -0.273 1.00 0.00 C ATOM 1482 C GLU A 90 -19.236 -1.148 0.996 1.00 0.00 C ATOM 1483 O GLU A 90 -19.452 -0.151 1.656 1.00 0.00 O ATOM 1484 CB GLU A 90 -21.409 -2.028 0.087 1.00 0.00 C ATOM 1485 CG GLU A 90 -21.245 -3.106 1.159 1.00 0.00 C ATOM 1486 CD GLU A 90 -22.610 -3.712 1.490 1.00 0.00 C ATOM 1487 OE1 GLU A 90 -23.217 -4.280 0.596 1.00 0.00 O ATOM 1488 OE2 GLU A 90 -23.027 -3.597 2.631 1.00 0.00 O ATOM 0 H GLU A 90 -19.788 -3.448 -0.987 1.00 0.00 H new ATOM 0 HA GLU A 90 -20.120 -0.516 -0.825 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -22.064 -1.236 0.450 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -21.882 -2.451 -0.799 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -20.567 -3.883 0.807 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -20.799 -2.676 2.056 1.00 0.00 H new ATOM 1495 N ALA A 91 -18.318 -2.006 1.347 1.00 0.00 N ATOM 1496 CA ALA A 91 -17.508 -1.776 2.579 1.00 0.00 C ATOM 1497 C ALA A 91 -16.811 -0.412 2.529 1.00 0.00 C ATOM 1498 O ALA A 91 -16.550 0.196 3.549 1.00 0.00 O ATOM 1499 CB ALA A 91 -16.476 -2.904 2.584 1.00 0.00 C ATOM 0 H ALA A 91 -18.093 -2.858 0.834 1.00 0.00 H new ATOM 0 HA ALA A 91 -18.125 -1.774 3.478 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -15.837 -2.808 3.462 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -16.988 -3.866 2.611 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -15.866 -2.843 1.683 1.00 0.00 H new ATOM 1505 N LEU A 92 -16.498 0.073 1.358 1.00 0.00 N ATOM 1506 CA LEU A 92 -15.810 1.398 1.264 1.00 0.00 C ATOM 1507 C LEU A 92 -16.787 2.464 0.770 1.00 0.00 C ATOM 1508 O LEU A 92 -16.601 3.643 0.996 1.00 0.00 O ATOM 1509 CB LEU A 92 -14.669 1.231 0.246 1.00 0.00 C ATOM 1510 CG LEU A 92 -14.296 -0.243 0.082 1.00 0.00 C ATOM 1511 CD1 LEU A 92 -13.061 -0.363 -0.813 1.00 0.00 C ATOM 1512 CD2 LEU A 92 -13.993 -0.844 1.455 1.00 0.00 C ATOM 0 H LEU A 92 -16.686 -0.385 0.466 1.00 0.00 H new ATOM 0 HA LEU A 92 -15.433 1.711 2.237 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -14.972 1.643 -0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.797 1.797 0.575 1.00 0.00 H new ATOM 0 HG LEU A 92 -15.127 -0.780 -0.376 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -12.796 -1.414 -0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -13.277 0.067 -1.791 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -12.228 0.173 -0.358 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -13.727 -1.895 1.341 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -13.162 -0.307 1.912 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -14.874 -0.760 2.092 1.00 0.00 H new ATOM 1524 N GLU A 93 -17.822 2.061 0.089 1.00 0.00 N ATOM 1525 CA GLU A 93 -18.801 3.056 -0.426 1.00 0.00 C ATOM 1526 C GLU A 93 -19.467 3.800 0.734 1.00 0.00 C ATOM 1527 O GLU A 93 -19.707 4.989 0.667 1.00 0.00 O ATOM 1528 CB GLU A 93 -19.831 2.237 -1.203 1.00 0.00 C ATOM 1529 CG GLU A 93 -19.340 2.026 -2.636 1.00 0.00 C ATOM 1530 CD GLU A 93 -19.903 3.128 -3.536 1.00 0.00 C ATOM 1531 OE1 GLU A 93 -19.264 4.162 -3.643 1.00 0.00 O ATOM 1532 OE2 GLU A 93 -20.963 2.920 -4.103 1.00 0.00 O ATOM 0 H GLU A 93 -18.032 1.088 -0.133 1.00 0.00 H new ATOM 0 HA GLU A 93 -18.327 3.812 -1.052 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -19.988 1.275 -0.716 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -20.792 2.752 -1.209 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -18.250 2.040 -2.664 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.656 1.048 -3.000 1.00 0.00 H new ATOM 1539 N GLY A 94 -19.770 3.107 1.798 1.00 0.00 N ATOM 1540 CA GLY A 94 -20.423 3.775 2.961 1.00 0.00 C ATOM 1541 C GLY A 94 -19.353 4.292 3.924 1.00 0.00 C ATOM 1542 O GLY A 94 -19.629 5.079 4.808 1.00 0.00 O ATOM 0 H GLY A 94 -19.594 2.109 1.913 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -21.046 4.601 2.616 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -21.080 3.073 3.474 1.00 0.00 H new ATOM 1546 N LEU A 95 -18.134 3.858 3.762 1.00 0.00 N ATOM 1547 CA LEU A 95 -17.048 4.327 4.671 1.00 0.00 C ATOM 1548 C LEU A 95 -16.955 5.855 4.638 1.00 0.00 C ATOM 1549 O LEU A 95 -16.372 6.469 5.509 1.00 0.00 O ATOM 1550 CB LEU A 95 -15.769 3.698 4.118 1.00 0.00 C ATOM 1551 CG LEU A 95 -15.155 2.777 5.173 1.00 0.00 C ATOM 1552 CD1 LEU A 95 -16.235 1.845 5.728 1.00 0.00 C ATOM 1553 CD2 LEU A 95 -14.043 1.941 4.535 1.00 0.00 C ATOM 0 H LEU A 95 -17.842 3.199 3.040 1.00 0.00 H new ATOM 0 HA LEU A 95 -17.225 4.043 5.708 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -15.991 3.134 3.212 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -15.058 4.477 3.842 1.00 0.00 H new ATOM 0 HG LEU A 95 -14.741 3.378 5.982 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -15.798 1.188 6.480 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -17.029 2.438 6.182 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -16.648 1.244 4.918 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -13.605 1.284 5.286 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -14.458 1.340 3.726 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -13.273 2.602 4.138 1.00 0.00 H new ATOM 1565 N ILE A 96 -17.526 6.471 3.640 1.00 0.00 N ATOM 1566 CA ILE A 96 -17.470 7.958 3.551 1.00 0.00 C ATOM 1567 C ILE A 96 -18.274 8.586 4.692 1.00 0.00 C ATOM 1568 O ILE A 96 -18.423 7.937 5.714 1.00 0.00 O ATOM 1569 CB ILE A 96 -18.100 8.298 2.200 1.00 0.00 C ATOM 1570 CG1 ILE A 96 -17.265 7.673 1.080 1.00 0.00 C ATOM 1571 CG2 ILE A 96 -18.138 9.816 2.020 1.00 0.00 C ATOM 1572 CD1 ILE A 96 -18.109 7.576 -0.192 1.00 0.00 C ATOM 1573 OXT ILE A 96 -18.727 9.707 4.525 1.00 0.00 O ATOM 0 H ILE A 96 -18.029 6.009 2.882 1.00 0.00 H new ATOM 0 HA ILE A 96 -16.452 8.339 3.633 1.00 0.00 H new ATOM 0 HB ILE A 96 -19.116 7.904 2.163 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -16.376 8.276 0.894 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -16.921 6.682 1.378 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -18.587 10.057 1.057 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -18.731 10.262 2.819 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -17.123 10.212 2.056 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -17.515 7.131 -0.990 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -18.984 6.955 -0.002 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -18.431 8.573 -0.492 1.00 0.00 H new TER 1585 ILE A 96