USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=15 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 -77:sc= -1.78! USER MOD Set 1.2: A 77 LYS NZ :NH3+ 146:sc= 0.00867 (180deg=-0.0053) USER MOD Set 2.1: A 5 TYR OH : rot 110:sc= -4.36! USER MOD Set 2.2: A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 45 THR OG1 : rot -120:sc= -0.256 USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 110:sc= -1.86! USER MOD Single : A 14 SER OG : rot 33:sc=6.63e-05 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot -165:sc= -1.39 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 130:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -1.27! USER MOD Single : A 31 HIS : no HD1:sc= -4.21! C(o=-4.2!,f=-3!) USER MOD Single : A 35 THR OG1 : rot -103:sc= -1.21 USER MOD Single : A 36 LYS NZ :NH3+ -106:sc= 1 (180deg=-1.48) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.051 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.012 X(o=-0.012,f=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -2.72! C(o=-2.7!,f=-6!) USER MOD Single : A 58 HIS : no HD1:sc= -1.67 K(o=-1.7,f=-0.24) USER MOD Single : A 62 LYS NZ :NH3+ 166:sc= -2.29! (180deg=-2.7!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -174:sc= -3.05! (180deg=-3.32!) USER MOD Single : A 82 GLN : amide:sc= -2.55! C(o=-2.6!,f=-7.8!) USER MOD Single : A 87 GLN : amide:sc= -12.7! C(o=-13!,f=-14!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.250 -19.596 5.911 1.00 0.00 N ATOM 2 CA MET A 1 -5.735 -18.850 4.713 1.00 0.00 C ATOM 3 C MET A 1 -5.041 -17.493 4.615 1.00 0.00 C ATOM 4 O MET A 1 -5.406 -16.556 5.296 1.00 0.00 O ATOM 5 CB MET A 1 -7.235 -18.649 4.946 1.00 0.00 C ATOM 6 CG MET A 1 -7.957 -18.572 3.600 1.00 0.00 C ATOM 7 SD MET A 1 -8.412 -20.239 3.062 1.00 0.00 S ATOM 8 CE MET A 1 -10.003 -19.812 2.313 1.00 0.00 C ATOM 0 H1 MET A 1 -5.731 -20.517 5.965 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.224 -19.745 5.835 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.457 -19.047 6.769 1.00 0.00 H new ATOM 0 HA MET A 1 -5.527 -19.389 3.789 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.635 -19.472 5.538 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.406 -17.735 5.515 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.848 -17.951 3.689 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.313 -18.102 2.857 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.468 -20.711 1.909 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.655 -19.375 3.069 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.845 -19.093 1.509 1.00 0.00 H new ATOM 20 N LYS A 2 -4.060 -17.361 3.765 1.00 0.00 N ATOM 21 CA LYS A 2 -3.391 -16.034 3.643 1.00 0.00 C ATOM 22 C LYS A 2 -4.253 -15.131 2.769 1.00 0.00 C ATOM 23 O LYS A 2 -3.980 -14.919 1.605 1.00 0.00 O ATOM 24 CB LYS A 2 -2.016 -16.249 2.992 1.00 0.00 C ATOM 25 CG LYS A 2 -1.527 -17.687 3.200 1.00 0.00 C ATOM 26 CD LYS A 2 0.000 -17.698 3.287 1.00 0.00 C ATOM 27 CE LYS A 2 0.469 -19.027 3.883 1.00 0.00 C ATOM 28 NZ LYS A 2 1.735 -19.343 3.165 1.00 0.00 N ATOM 0 H LYS A 2 -3.698 -18.098 3.160 1.00 0.00 H new ATOM 0 HA LYS A 2 -3.264 -15.567 4.620 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -2.077 -16.033 1.925 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -1.295 -15.551 3.418 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -1.957 -18.100 4.112 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -1.860 -18.318 2.376 1.00 0.00 H new ATOM 0 HD2 LYS A 2 0.432 -17.559 2.296 1.00 0.00 H new ATOM 0 HD3 LYS A 2 0.345 -16.869 3.904 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.635 -18.942 4.957 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.275 -19.810 3.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 2.119 -20.242 3.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 1.545 -19.424 2.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 2.426 -18.583 3.329 1.00 0.00 H new ATOM 42 N THR A 3 -5.295 -14.598 3.336 1.00 0.00 N ATOM 43 CA THR A 3 -6.191 -13.703 2.565 1.00 0.00 C ATOM 44 C THR A 3 -6.258 -12.323 3.229 1.00 0.00 C ATOM 45 O THR A 3 -5.484 -11.437 2.927 1.00 0.00 O ATOM 46 CB THR A 3 -7.551 -14.392 2.616 1.00 0.00 C ATOM 47 OG1 THR A 3 -7.639 -15.168 3.804 1.00 0.00 O ATOM 48 CG2 THR A 3 -7.709 -15.297 1.395 1.00 0.00 C ATOM 0 H THR A 3 -5.565 -14.746 4.308 1.00 0.00 H new ATOM 0 HA THR A 3 -5.848 -13.542 1.543 1.00 0.00 H new ATOM 0 HB THR A 3 -8.343 -13.643 2.613 1.00 0.00 H new ATOM 0 HG1 THR A 3 -8.280 -14.754 4.419 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.681 -15.790 1.431 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.639 -14.698 0.487 1.00 0.00 H new ATOM 0 HG23 THR A 3 -6.920 -16.049 1.395 1.00 0.00 H new ATOM 56 N ALA A 4 -7.172 -12.142 4.144 1.00 0.00 N ATOM 57 CA ALA A 4 -7.290 -10.828 4.840 1.00 0.00 C ATOM 58 C ALA A 4 -6.408 -10.834 6.097 1.00 0.00 C ATOM 59 O ALA A 4 -5.879 -9.823 6.514 1.00 0.00 O ATOM 60 CB ALA A 4 -8.766 -10.728 5.210 1.00 0.00 C ATOM 0 H ALA A 4 -7.844 -12.850 4.440 1.00 0.00 H new ATOM 0 HA ALA A 4 -6.967 -9.986 4.229 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -8.948 -9.787 5.729 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -9.371 -10.766 4.304 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -9.035 -11.560 5.861 1.00 0.00 H new ATOM 66 N TYR A 5 -6.246 -11.989 6.679 1.00 0.00 N ATOM 67 CA TYR A 5 -5.392 -12.157 7.897 1.00 0.00 C ATOM 68 C TYR A 5 -4.168 -11.220 7.891 1.00 0.00 C ATOM 69 O TYR A 5 -3.618 -10.904 8.927 1.00 0.00 O ATOM 70 CB TYR A 5 -4.894 -13.606 7.778 1.00 0.00 C ATOM 71 CG TYR A 5 -3.850 -13.645 6.679 1.00 0.00 C ATOM 72 CD1 TYR A 5 -4.199 -13.230 5.392 1.00 0.00 C ATOM 73 CD2 TYR A 5 -2.534 -14.031 6.954 1.00 0.00 C ATOM 74 CE1 TYR A 5 -3.251 -13.198 4.377 1.00 0.00 C ATOM 75 CE2 TYR A 5 -1.571 -13.999 5.934 1.00 0.00 C ATOM 76 CZ TYR A 5 -1.929 -13.581 4.645 1.00 0.00 C ATOM 77 OH TYR A 5 -0.979 -13.551 3.645 1.00 0.00 O ATOM 0 H TYR A 5 -6.682 -12.852 6.353 1.00 0.00 H new ATOM 0 HA TYR A 5 -5.949 -11.931 8.806 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -4.468 -13.943 8.723 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -5.721 -14.277 7.544 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -5.216 -12.931 5.184 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.260 -14.353 7.948 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -3.532 -12.879 3.384 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.554 -14.296 6.142 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.341 -12.828 3.821 1.00 0.00 H new ATOM 87 N ASP A 6 -3.700 -10.825 6.734 1.00 0.00 N ATOM 88 CA ASP A 6 -2.479 -9.978 6.676 1.00 0.00 C ATOM 89 C ASP A 6 -2.392 -9.245 5.337 1.00 0.00 C ATOM 90 O ASP A 6 -2.353 -8.033 5.286 1.00 0.00 O ATOM 91 CB ASP A 6 -1.331 -10.986 6.786 1.00 0.00 C ATOM 92 CG ASP A 6 0.005 -10.240 6.811 1.00 0.00 C ATOM 93 OD1 ASP A 6 0.058 -9.144 6.280 1.00 0.00 O ATOM 94 OD2 ASP A 6 0.951 -10.780 7.361 1.00 0.00 O ATOM 0 H ASP A 6 -4.113 -11.054 5.830 1.00 0.00 H new ATOM 0 HA ASP A 6 -2.464 -9.216 7.455 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -1.443 -11.583 7.691 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -1.358 -11.677 5.943 1.00 0.00 H new ATOM 99 N VAL A 7 -2.348 -9.979 4.255 1.00 0.00 N ATOM 100 CA VAL A 7 -2.250 -9.325 2.918 1.00 0.00 C ATOM 101 C VAL A 7 -3.176 -8.116 2.871 1.00 0.00 C ATOM 102 O VAL A 7 -2.751 -6.982 2.818 1.00 0.00 O ATOM 103 CB VAL A 7 -2.723 -10.368 1.896 1.00 0.00 C ATOM 104 CG1 VAL A 7 -2.544 -9.816 0.487 1.00 0.00 C ATOM 105 CG2 VAL A 7 -1.908 -11.648 2.010 1.00 0.00 C ATOM 0 H VAL A 7 -2.376 -10.999 4.240 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.234 -8.989 2.711 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.772 -10.587 2.097 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.880 -10.556 -0.239 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.133 -8.905 0.375 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.491 -9.591 0.315 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.262 -12.371 1.276 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.857 -11.428 1.825 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.021 -12.063 3.012 1.00 0.00 H new ATOM 115 N ILE A 8 -4.445 -8.358 2.879 1.00 0.00 N ATOM 116 CA ILE A 8 -5.408 -7.235 2.818 1.00 0.00 C ATOM 117 C ILE A 8 -6.201 -7.150 4.128 1.00 0.00 C ATOM 118 O ILE A 8 -7.147 -7.880 4.341 1.00 0.00 O ATOM 119 CB ILE A 8 -6.312 -7.598 1.643 1.00 0.00 C ATOM 120 CG1 ILE A 8 -5.456 -8.089 0.471 1.00 0.00 C ATOM 121 CG2 ILE A 8 -7.095 -6.360 1.198 1.00 0.00 C ATOM 122 CD1 ILE A 8 -6.314 -8.167 -0.791 1.00 0.00 C ATOM 0 H ILE A 8 -4.862 -9.288 2.925 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.934 -6.262 2.688 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.003 -8.382 1.952 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.617 -7.412 0.311 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.036 -9.069 0.699 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.740 -6.620 0.359 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.704 -5.998 2.026 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.398 -5.580 0.892 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.704 -8.516 -1.624 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.138 -8.861 -0.628 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.712 -7.179 -1.022 1.00 0.00 H new ATOM 134 N LEU A 9 -5.810 -6.269 5.011 1.00 0.00 N ATOM 135 CA LEU A 9 -6.530 -6.145 6.314 1.00 0.00 C ATOM 136 C LEU A 9 -7.625 -5.074 6.233 1.00 0.00 C ATOM 137 O LEU A 9 -8.731 -5.338 5.805 1.00 0.00 O ATOM 138 CB LEU A 9 -5.454 -5.738 7.323 1.00 0.00 C ATOM 139 CG LEU A 9 -4.439 -6.872 7.478 1.00 0.00 C ATOM 140 CD1 LEU A 9 -3.207 -6.355 8.224 1.00 0.00 C ATOM 141 CD2 LEU A 9 -5.071 -8.016 8.274 1.00 0.00 C ATOM 0 H LEU A 9 -5.024 -5.630 4.887 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.027 -7.074 6.594 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.952 -4.830 6.988 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.912 -5.512 8.286 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.144 -7.233 6.493 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.483 -7.163 8.335 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.756 -5.539 7.660 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.503 -5.995 9.209 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.349 -8.825 8.385 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.365 -7.655 9.259 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.950 -8.385 7.745 1.00 0.00 H new ATOM 153 N ALA A 10 -7.334 -3.869 6.652 1.00 0.00 N ATOM 154 CA ALA A 10 -8.367 -2.793 6.607 1.00 0.00 C ATOM 155 C ALA A 10 -8.266 -2.001 5.303 1.00 0.00 C ATOM 156 O ALA A 10 -7.217 -1.935 4.692 1.00 0.00 O ATOM 157 CB ALA A 10 -8.052 -1.892 7.800 1.00 0.00 C ATOM 0 H ALA A 10 -6.427 -3.585 7.023 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.378 -3.198 6.651 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.770 -1.073 7.837 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.115 -2.472 8.721 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.045 -1.487 7.695 1.00 0.00 H new ATOM 163 N PRO A 11 -9.370 -1.417 4.927 1.00 0.00 N ATOM 164 CA PRO A 11 -9.422 -0.608 3.687 1.00 0.00 C ATOM 165 C PRO A 11 -8.742 0.746 3.911 1.00 0.00 C ATOM 166 O PRO A 11 -8.607 1.206 5.027 1.00 0.00 O ATOM 167 CB PRO A 11 -10.917 -0.429 3.441 1.00 0.00 C ATOM 168 CG PRO A 11 -11.556 -0.571 4.787 1.00 0.00 C ATOM 169 CD PRO A 11 -10.664 -1.460 5.616 1.00 0.00 C ATOM 0 HA PRO A 11 -8.909 -1.074 2.846 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.130 0.547 3.005 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.294 -1.178 2.745 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.674 0.403 5.261 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.552 -1.004 4.696 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -10.582 -1.097 6.640 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -11.053 -2.477 5.668 1.00 0.00 H new ATOM 177 N VAL A 12 -8.314 1.387 2.860 1.00 0.00 N ATOM 178 CA VAL A 12 -7.644 2.711 3.016 1.00 0.00 C ATOM 179 C VAL A 12 -8.484 3.810 2.359 1.00 0.00 C ATOM 180 O VAL A 12 -8.704 3.806 1.164 1.00 0.00 O ATOM 181 CB VAL A 12 -6.295 2.563 2.306 1.00 0.00 C ATOM 182 CG1 VAL A 12 -6.489 1.830 0.979 1.00 0.00 C ATOM 183 CG2 VAL A 12 -5.702 3.949 2.039 1.00 0.00 C ATOM 0 H VAL A 12 -8.398 1.053 1.900 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.521 2.990 4.062 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.616 1.992 2.939 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.527 1.726 0.477 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.908 0.842 1.167 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.170 2.398 0.346 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.742 3.843 1.534 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.383 4.521 1.408 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.558 4.472 2.985 1.00 0.00 H new ATOM 193 N LEU A 13 -8.953 4.751 3.132 1.00 0.00 N ATOM 194 CA LEU A 13 -9.777 5.849 2.551 1.00 0.00 C ATOM 195 C LEU A 13 -8.935 7.118 2.401 1.00 0.00 C ATOM 196 O LEU A 13 -8.614 7.779 3.368 1.00 0.00 O ATOM 197 CB LEU A 13 -10.910 6.072 3.556 1.00 0.00 C ATOM 198 CG LEU A 13 -11.764 4.805 3.667 1.00 0.00 C ATOM 199 CD1 LEU A 13 -12.044 4.245 2.270 1.00 0.00 C ATOM 200 CD2 LEU A 13 -11.017 3.758 4.497 1.00 0.00 C ATOM 0 H LEU A 13 -8.802 4.807 4.139 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.156 5.600 1.560 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.497 6.330 4.531 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -11.529 6.912 3.240 1.00 0.00 H new ATOM 0 HG LEU A 13 -12.709 5.049 4.152 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.652 3.344 2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.579 4.989 1.680 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.101 4.002 1.780 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -11.624 2.856 4.577 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -10.071 3.517 4.013 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.824 4.154 5.494 1.00 0.00 H new ATOM 212 N SER A 14 -8.575 7.462 1.195 1.00 0.00 N ATOM 213 CA SER A 14 -7.754 8.688 0.984 1.00 0.00 C ATOM 214 C SER A 14 -8.155 9.373 -0.325 1.00 0.00 C ATOM 215 O SER A 14 -8.629 8.739 -1.247 1.00 0.00 O ATOM 216 CB SER A 14 -6.311 8.191 0.910 1.00 0.00 C ATOM 217 OG SER A 14 -5.674 8.411 2.161 1.00 0.00 O ATOM 0 H SER A 14 -8.814 6.948 0.347 1.00 0.00 H new ATOM 0 HA SER A 14 -7.892 9.420 1.780 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.292 7.130 0.661 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.774 8.714 0.119 1.00 0.00 H new ATOM 0 HG SER A 14 -6.329 8.313 2.883 1.00 0.00 H new ATOM 223 N GLU A 15 -7.971 10.661 -0.413 1.00 0.00 N ATOM 224 CA GLU A 15 -8.344 11.385 -1.661 1.00 0.00 C ATOM 225 C GLU A 15 -7.899 10.586 -2.890 1.00 0.00 C ATOM 226 O GLU A 15 -8.709 10.146 -3.682 1.00 0.00 O ATOM 227 CB GLU A 15 -7.594 12.715 -1.586 1.00 0.00 C ATOM 228 CG GLU A 15 -8.514 13.845 -2.050 1.00 0.00 C ATOM 229 CD GLU A 15 -7.670 15.048 -2.476 1.00 0.00 C ATOM 230 OE1 GLU A 15 -6.650 14.834 -3.111 1.00 0.00 O ATOM 231 OE2 GLU A 15 -8.056 16.160 -2.159 1.00 0.00 O ATOM 0 H GLU A 15 -7.578 11.244 0.326 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.421 11.528 -1.749 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.260 12.899 -0.565 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.702 12.678 -2.211 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.131 13.507 -2.883 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.192 14.130 -1.246 1.00 0.00 H new ATOM 238 N LYS A 16 -6.618 10.399 -3.058 1.00 0.00 N ATOM 239 CA LYS A 16 -6.125 9.635 -4.234 1.00 0.00 C ATOM 240 C LYS A 16 -6.795 8.260 -4.296 1.00 0.00 C ATOM 241 O LYS A 16 -6.922 7.668 -5.350 1.00 0.00 O ATOM 242 CB LYS A 16 -4.619 9.490 -4.011 1.00 0.00 C ATOM 243 CG LYS A 16 -3.867 10.335 -5.041 1.00 0.00 C ATOM 244 CD LYS A 16 -2.832 9.466 -5.758 1.00 0.00 C ATOM 245 CE LYS A 16 -2.783 9.845 -7.239 1.00 0.00 C ATOM 246 NZ LYS A 16 -1.372 10.251 -7.487 1.00 0.00 N ATOM 0 H LYS A 16 -5.892 10.744 -2.429 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.351 10.138 -5.174 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.358 9.809 -3.002 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.327 8.444 -4.100 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.567 10.755 -5.763 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.375 11.174 -4.549 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.850 9.603 -5.304 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.089 8.412 -5.650 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.069 9.004 -7.871 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.473 10.659 -7.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.260 10.525 -8.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.130 11.058 -6.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.739 9.454 -7.274 1.00 0.00 H new ATOM 260 N ALA A 17 -7.227 7.747 -3.177 1.00 0.00 N ATOM 261 CA ALA A 17 -7.891 6.411 -3.176 1.00 0.00 C ATOM 262 C ALA A 17 -9.374 6.560 -3.515 1.00 0.00 C ATOM 263 O ALA A 17 -9.894 5.889 -4.385 1.00 0.00 O ATOM 264 CB ALA A 17 -7.723 5.883 -1.751 1.00 0.00 C ATOM 0 H ALA A 17 -7.149 8.194 -2.263 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.459 5.737 -3.915 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.187 4.900 -1.670 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.662 5.804 -1.515 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.200 6.568 -1.050 1.00 0.00 H new ATOM 270 N TYR A 18 -10.061 7.432 -2.831 1.00 0.00 N ATOM 271 CA TYR A 18 -11.514 7.621 -3.110 1.00 0.00 C ATOM 272 C TYR A 18 -11.730 7.958 -4.584 1.00 0.00 C ATOM 273 O TYR A 18 -12.728 7.598 -5.174 1.00 0.00 O ATOM 274 CB TYR A 18 -11.939 8.790 -2.220 1.00 0.00 C ATOM 275 CG TYR A 18 -12.415 8.251 -0.895 1.00 0.00 C ATOM 276 CD1 TYR A 18 -13.261 7.139 -0.863 1.00 0.00 C ATOM 277 CD2 TYR A 18 -12.006 8.856 0.298 1.00 0.00 C ATOM 278 CE1 TYR A 18 -13.701 6.627 0.364 1.00 0.00 C ATOM 279 CE2 TYR A 18 -12.446 8.347 1.527 1.00 0.00 C ATOM 280 CZ TYR A 18 -13.294 7.232 1.560 1.00 0.00 C ATOM 281 OH TYR A 18 -13.727 6.729 2.770 1.00 0.00 O ATOM 0 H TYR A 18 -9.680 8.022 -2.091 1.00 0.00 H new ATOM 0 HA TYR A 18 -12.095 6.722 -2.905 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -11.102 9.472 -2.070 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -12.733 9.360 -2.702 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -13.576 6.674 -1.786 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -11.352 9.715 0.272 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -14.353 5.767 0.388 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -12.132 8.814 2.449 1.00 0.00 H new ATOM 0 HH TYR A 18 -13.558 7.387 3.477 1.00 0.00 H new ATOM 291 N ALA A 19 -10.800 8.642 -5.185 1.00 0.00 N ATOM 292 CA ALA A 19 -10.954 8.995 -6.622 1.00 0.00 C ATOM 293 C ALA A 19 -10.343 7.895 -7.498 1.00 0.00 C ATOM 294 O ALA A 19 -10.493 7.890 -8.703 1.00 0.00 O ATOM 295 CB ALA A 19 -10.193 10.310 -6.793 1.00 0.00 C ATOM 0 H ALA A 19 -9.941 8.972 -4.745 1.00 0.00 H new ATOM 0 HA ALA A 19 -11.999 9.094 -6.917 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.260 10.637 -7.831 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.629 11.070 -6.144 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.147 10.162 -6.526 1.00 0.00 H new ATOM 301 N GLY A 20 -9.663 6.961 -6.892 1.00 0.00 N ATOM 302 CA GLY A 20 -9.043 5.849 -7.669 1.00 0.00 C ATOM 303 C GLY A 20 -9.860 4.585 -7.443 1.00 0.00 C ATOM 304 O GLY A 20 -10.016 3.762 -8.322 1.00 0.00 O ATOM 0 H GLY A 20 -9.509 6.920 -5.885 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.016 6.098 -8.730 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.012 5.695 -7.352 1.00 0.00 H new ATOM 308 N PHE A 21 -10.399 4.437 -6.267 1.00 0.00 N ATOM 309 CA PHE A 21 -11.224 3.239 -5.975 1.00 0.00 C ATOM 310 C PHE A 21 -12.623 3.438 -6.571 1.00 0.00 C ATOM 311 O PHE A 21 -13.372 2.503 -6.772 1.00 0.00 O ATOM 312 CB PHE A 21 -11.257 3.159 -4.434 1.00 0.00 C ATOM 313 CG PHE A 21 -12.603 3.597 -3.902 1.00 0.00 C ATOM 314 CD1 PHE A 21 -12.999 4.932 -4.018 1.00 0.00 C ATOM 315 CD2 PHE A 21 -13.457 2.663 -3.306 1.00 0.00 C ATOM 316 CE1 PHE A 21 -14.248 5.336 -3.537 1.00 0.00 C ATOM 317 CE2 PHE A 21 -14.706 3.065 -2.823 1.00 0.00 C ATOM 318 CZ PHE A 21 -15.103 4.402 -2.938 1.00 0.00 C ATOM 0 H PHE A 21 -10.302 5.097 -5.495 1.00 0.00 H new ATOM 0 HA PHE A 21 -10.831 2.318 -6.405 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -11.049 2.138 -4.114 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.473 3.790 -4.016 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -12.340 5.652 -4.480 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -13.151 1.631 -3.219 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -14.554 6.368 -3.627 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -15.364 2.344 -2.361 1.00 0.00 H new ATOM 0 HZ PHE A 21 -16.068 4.713 -2.565 1.00 0.00 H new ATOM 328 N ALA A 22 -12.975 4.666 -6.835 1.00 0.00 N ATOM 329 CA ALA A 22 -14.314 4.966 -7.397 1.00 0.00 C ATOM 330 C ALA A 22 -14.563 4.159 -8.675 1.00 0.00 C ATOM 331 O ALA A 22 -15.685 4.012 -9.120 1.00 0.00 O ATOM 332 CB ALA A 22 -14.276 6.460 -7.705 1.00 0.00 C ATOM 0 H ALA A 22 -12.382 5.482 -6.682 1.00 0.00 H new ATOM 0 HA ALA A 22 -15.117 4.704 -6.708 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -15.232 6.769 -8.127 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.088 7.016 -6.787 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.481 6.664 -8.422 1.00 0.00 H new ATOM 338 N GLU A 23 -13.526 3.642 -9.271 1.00 0.00 N ATOM 339 CA GLU A 23 -13.697 2.853 -10.525 1.00 0.00 C ATOM 340 C GLU A 23 -13.832 1.361 -10.206 1.00 0.00 C ATOM 341 O GLU A 23 -13.664 0.518 -11.063 1.00 0.00 O ATOM 342 CB GLU A 23 -12.423 3.113 -11.327 1.00 0.00 C ATOM 343 CG GLU A 23 -12.770 3.237 -12.812 1.00 0.00 C ATOM 344 CD GLU A 23 -12.923 4.715 -13.179 1.00 0.00 C ATOM 345 OE1 GLU A 23 -12.068 5.494 -12.790 1.00 0.00 O ATOM 346 OE2 GLU A 23 -13.892 5.042 -13.843 1.00 0.00 O ATOM 0 H GLU A 23 -12.564 3.731 -8.944 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.595 3.140 -11.072 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.941 4.026 -10.978 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -11.713 2.300 -11.175 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.988 2.780 -13.418 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -13.694 2.701 -13.026 1.00 0.00 H new ATOM 353 N GLY A 24 -14.123 1.029 -8.979 1.00 0.00 N ATOM 354 CA GLY A 24 -14.253 -0.401 -8.608 1.00 0.00 C ATOM 355 C GLY A 24 -12.917 -0.903 -8.053 1.00 0.00 C ATOM 356 O GLY A 24 -12.790 -2.037 -7.638 1.00 0.00 O ATOM 0 H GLY A 24 -14.276 1.691 -8.218 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -15.039 -0.525 -7.863 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.543 -0.990 -9.479 1.00 0.00 H new ATOM 360 N LYS A 25 -11.925 -0.055 -8.036 1.00 0.00 N ATOM 361 CA LYS A 25 -10.589 -0.453 -7.507 1.00 0.00 C ATOM 362 C LYS A 25 -10.593 -0.340 -5.981 1.00 0.00 C ATOM 363 O LYS A 25 -11.158 0.577 -5.430 1.00 0.00 O ATOM 364 CB LYS A 25 -9.624 0.563 -8.125 1.00 0.00 C ATOM 365 CG LYS A 25 -9.245 0.112 -9.537 1.00 0.00 C ATOM 366 CD LYS A 25 -7.723 0.005 -9.652 1.00 0.00 C ATOM 367 CE LYS A 25 -7.331 -0.102 -11.127 1.00 0.00 C ATOM 368 NZ LYS A 25 -6.469 1.083 -11.384 1.00 0.00 N ATOM 0 H LYS A 25 -11.984 0.907 -8.370 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.315 -1.479 -7.751 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.089 1.548 -8.159 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.730 0.653 -7.508 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.705 -0.851 -9.757 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.626 0.822 -10.271 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.251 0.878 -9.201 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.366 -0.868 -9.105 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.795 -1.030 -11.327 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.211 -0.097 -11.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.160 1.079 -12.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.007 1.952 -11.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.636 1.048 -10.762 1.00 0.00 H new ATOM 382 N TYR A 26 -9.997 -1.268 -5.282 1.00 0.00 N ATOM 383 CA TYR A 26 -10.014 -1.171 -3.792 1.00 0.00 C ATOM 384 C TYR A 26 -8.610 -1.295 -3.192 1.00 0.00 C ATOM 385 O TYR A 26 -8.065 -2.373 -3.067 1.00 0.00 O ATOM 386 CB TYR A 26 -10.911 -2.317 -3.332 1.00 0.00 C ATOM 387 CG TYR A 26 -12.299 -2.114 -3.890 1.00 0.00 C ATOM 388 CD1 TYR A 26 -12.861 -0.833 -3.905 1.00 0.00 C ATOM 389 CD2 TYR A 26 -13.021 -3.202 -4.393 1.00 0.00 C ATOM 390 CE1 TYR A 26 -14.147 -0.638 -4.422 1.00 0.00 C ATOM 391 CE2 TYR A 26 -14.306 -3.007 -4.911 1.00 0.00 C ATOM 392 CZ TYR A 26 -14.870 -1.726 -4.926 1.00 0.00 C ATOM 393 OH TYR A 26 -16.138 -1.534 -5.436 1.00 0.00 O ATOM 0 H TYR A 26 -9.507 -2.075 -5.668 1.00 0.00 H new ATOM 0 HA TYR A 26 -10.382 -0.200 -3.462 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -10.506 -3.271 -3.670 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.945 -2.354 -2.243 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.302 0.006 -3.517 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -12.587 -4.191 -4.381 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -14.581 0.351 -4.432 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -14.864 -3.846 -5.300 1.00 0.00 H new ATOM 0 HH TYR A 26 -16.202 -1.954 -6.319 1.00 0.00 H new ATOM 403 N THR A 27 -8.041 -0.188 -2.795 1.00 0.00 N ATOM 404 CA THR A 27 -6.690 -0.190 -2.179 1.00 0.00 C ATOM 405 C THR A 27 -6.778 -0.719 -0.750 1.00 0.00 C ATOM 406 O THR A 27 -7.714 -0.441 -0.028 1.00 0.00 O ATOM 407 CB THR A 27 -6.259 1.278 -2.181 1.00 0.00 C ATOM 408 OG1 THR A 27 -6.541 1.850 -3.451 1.00 0.00 O ATOM 409 CG2 THR A 27 -4.759 1.373 -1.899 1.00 0.00 C ATOM 0 H THR A 27 -8.468 0.735 -2.875 1.00 0.00 H new ATOM 0 HA THR A 27 -5.983 -0.823 -2.715 1.00 0.00 H new ATOM 0 HB THR A 27 -6.806 1.818 -1.408 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.267 2.791 -3.454 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.454 2.419 -1.901 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.543 0.934 -0.925 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.209 0.833 -2.670 1.00 0.00 H new ATOM 417 N PHE A 28 -5.815 -1.487 -0.345 1.00 0.00 N ATOM 418 CA PHE A 28 -5.835 -2.051 1.030 1.00 0.00 C ATOM 419 C PHE A 28 -4.466 -1.892 1.680 1.00 0.00 C ATOM 420 O PHE A 28 -3.481 -1.661 1.014 1.00 0.00 O ATOM 421 CB PHE A 28 -6.147 -3.532 0.840 1.00 0.00 C ATOM 422 CG PHE A 28 -7.511 -3.694 0.222 1.00 0.00 C ATOM 423 CD1 PHE A 28 -8.636 -3.159 0.857 1.00 0.00 C ATOM 424 CD2 PHE A 28 -7.648 -4.383 -0.987 1.00 0.00 C ATOM 425 CE1 PHE A 28 -9.903 -3.314 0.283 1.00 0.00 C ATOM 426 CE2 PHE A 28 -8.915 -4.538 -1.562 1.00 0.00 C ATOM 427 CZ PHE A 28 -10.042 -4.003 -0.927 1.00 0.00 C ATOM 0 H PHE A 28 -5.008 -1.752 -0.909 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.562 -1.551 1.670 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.392 -3.993 0.202 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.110 -4.046 1.800 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -8.527 -2.626 1.790 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.778 -4.795 -1.476 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -10.773 -2.902 0.773 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -9.023 -5.070 -2.495 1.00 0.00 H new ATOM 0 HZ PHE A 28 -11.019 -4.122 -1.371 1.00 0.00 H new ATOM 437 N TRP A 29 -4.386 -2.059 2.969 1.00 0.00 N ATOM 438 CA TRP A 29 -3.070 -1.964 3.639 1.00 0.00 C ATOM 439 C TRP A 29 -2.489 -3.365 3.631 1.00 0.00 C ATOM 440 O TRP A 29 -3.112 -4.300 4.094 1.00 0.00 O ATOM 441 CB TRP A 29 -3.359 -1.491 5.064 1.00 0.00 C ATOM 442 CG TRP A 29 -3.532 -0.006 5.072 1.00 0.00 C ATOM 443 CD1 TRP A 29 -4.682 0.641 5.370 1.00 0.00 C ATOM 444 CD2 TRP A 29 -2.546 1.027 4.773 1.00 0.00 C ATOM 445 NE1 TRP A 29 -4.466 2.004 5.274 1.00 0.00 N ATOM 446 CE2 TRP A 29 -3.166 2.291 4.909 1.00 0.00 C ATOM 447 CE3 TRP A 29 -1.190 0.988 4.403 1.00 0.00 C ATOM 448 CZ2 TRP A 29 -2.464 3.477 4.685 1.00 0.00 C ATOM 449 CZ3 TRP A 29 -0.481 2.181 4.176 1.00 0.00 C ATOM 450 CH2 TRP A 29 -1.117 3.421 4.317 1.00 0.00 C ATOM 0 H TRP A 29 -5.176 -2.257 3.583 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.369 -1.280 3.161 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.259 -1.975 5.443 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -2.541 -1.776 5.726 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.616 0.170 5.639 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.180 2.711 5.451 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.690 0.037 4.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -2.958 4.431 4.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.560 2.141 3.891 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.567 4.333 4.141 1.00 0.00 H new ATOM 461 N VAL A 30 -1.342 -3.549 3.062 1.00 0.00 N ATOM 462 CA VAL A 30 -0.811 -4.917 2.989 1.00 0.00 C ATOM 463 C VAL A 30 0.653 -4.991 3.384 1.00 0.00 C ATOM 464 O VAL A 30 1.355 -4.001 3.469 1.00 0.00 O ATOM 465 CB VAL A 30 -1.008 -5.291 1.534 1.00 0.00 C ATOM 466 CG1 VAL A 30 -0.101 -4.447 0.642 1.00 0.00 C ATOM 467 CG2 VAL A 30 -0.690 -6.752 1.343 1.00 0.00 C ATOM 0 H VAL A 30 -0.759 -2.820 2.651 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.314 -5.593 3.681 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.045 -5.103 1.257 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.253 -4.727 -0.400 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.341 -3.392 0.773 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.940 -4.619 0.915 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.832 -7.021 0.296 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.345 -6.940 1.629 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.353 -7.353 1.965 1.00 0.00 H new ATOM 477 N HIS A 31 1.100 -6.180 3.629 1.00 0.00 N ATOM 478 CA HIS A 31 2.514 -6.397 4.034 1.00 0.00 C ATOM 479 C HIS A 31 3.418 -6.439 2.802 1.00 0.00 C ATOM 480 O HIS A 31 2.993 -6.809 1.727 1.00 0.00 O ATOM 481 CB HIS A 31 2.506 -7.754 4.740 1.00 0.00 C ATOM 482 CG HIS A 31 3.352 -7.684 5.981 1.00 0.00 C ATOM 483 ND1 HIS A 31 3.006 -6.897 7.068 1.00 0.00 N ATOM 484 CD2 HIS A 31 4.533 -8.297 6.322 1.00 0.00 C ATOM 485 CE1 HIS A 31 3.960 -7.055 8.003 1.00 0.00 C ATOM 486 NE2 HIS A 31 4.914 -7.898 7.600 1.00 0.00 N ATOM 0 H HIS A 31 0.539 -7.029 3.566 1.00 0.00 H new ATOM 0 HA HIS A 31 2.892 -5.600 4.674 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.485 -8.034 4.999 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.888 -8.525 4.071 1.00 0.00 H new ATOM 0 HD2 HIS A 31 5.082 -8.984 5.695 1.00 0.00 H new ATOM 0 HE1 HIS A 31 3.955 -6.560 8.963 1.00 0.00 H new ATOM 0 HE2 HIS A 31 5.744 -8.187 8.118 1.00 0.00 H new ATOM 494 N PRO A 32 4.647 -6.065 3.013 1.00 0.00 N ATOM 495 CA PRO A 32 5.645 -6.064 1.918 1.00 0.00 C ATOM 496 C PRO A 32 5.993 -7.502 1.543 1.00 0.00 C ATOM 497 O PRO A 32 7.100 -7.961 1.740 1.00 0.00 O ATOM 498 CB PRO A 32 6.844 -5.350 2.529 1.00 0.00 C ATOM 499 CG PRO A 32 6.696 -5.546 4.004 1.00 0.00 C ATOM 500 CD PRO A 32 5.219 -5.614 4.283 1.00 0.00 C ATOM 0 HA PRO A 32 5.297 -5.580 1.005 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.782 -5.771 2.166 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.848 -4.291 2.269 1.00 0.00 H new ATOM 0 HG2 PRO A 32 7.193 -6.461 4.325 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.156 -4.724 4.552 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.996 -6.309 5.092 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.822 -4.643 4.579 1.00 0.00 H new ATOM 508 N LYS A 33 5.042 -8.219 1.022 1.00 0.00 N ATOM 509 CA LYS A 33 5.291 -9.638 0.649 1.00 0.00 C ATOM 510 C LYS A 33 4.017 -10.247 0.066 1.00 0.00 C ATOM 511 O LYS A 33 4.065 -11.093 -0.804 1.00 0.00 O ATOM 512 CB LYS A 33 5.662 -10.332 1.963 1.00 0.00 C ATOM 513 CG LYS A 33 4.734 -9.849 3.084 1.00 0.00 C ATOM 514 CD LYS A 33 3.964 -11.038 3.661 1.00 0.00 C ATOM 515 CE LYS A 33 2.922 -11.515 2.647 1.00 0.00 C ATOM 516 NZ LYS A 33 2.257 -12.677 3.298 1.00 0.00 N ATOM 0 H LYS A 33 4.097 -7.883 0.837 1.00 0.00 H new ATOM 0 HA LYS A 33 6.075 -9.743 -0.101 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.579 -11.413 1.850 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.699 -10.117 2.219 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.316 -9.365 3.868 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.038 -9.105 2.698 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.652 -11.849 3.899 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.475 -10.751 4.592 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.205 -10.727 2.417 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.390 -11.804 1.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.528 -13.060 2.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.963 -13.414 3.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.815 -12.370 4.188 1.00 0.00 H new ATOM 530 N ALA A 34 2.877 -9.820 0.541 1.00 0.00 N ATOM 531 CA ALA A 34 1.597 -10.369 0.012 1.00 0.00 C ATOM 532 C ALA A 34 1.624 -10.349 -1.520 1.00 0.00 C ATOM 533 O ALA A 34 1.256 -9.373 -2.144 1.00 0.00 O ATOM 534 CB ALA A 34 0.516 -9.429 0.539 1.00 0.00 C ATOM 0 H ALA A 34 2.778 -9.115 1.272 1.00 0.00 H new ATOM 0 HA ALA A 34 1.423 -11.400 0.321 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.461 -9.767 0.192 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.534 -9.429 1.629 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.702 -8.419 0.173 1.00 0.00 H new ATOM 540 N THR A 35 2.072 -11.413 -2.128 1.00 0.00 N ATOM 541 CA THR A 35 2.143 -11.457 -3.620 1.00 0.00 C ATOM 542 C THR A 35 0.905 -10.804 -4.243 1.00 0.00 C ATOM 543 O THR A 35 -0.211 -11.056 -3.835 1.00 0.00 O ATOM 544 CB THR A 35 2.190 -12.945 -3.968 1.00 0.00 C ATOM 545 OG1 THR A 35 1.705 -13.702 -2.868 1.00 0.00 O ATOM 546 CG2 THR A 35 3.631 -13.355 -4.276 1.00 0.00 C ATOM 0 H THR A 35 2.394 -12.258 -1.656 1.00 0.00 H new ATOM 0 HA THR A 35 3.008 -10.914 -4.002 1.00 0.00 H new ATOM 0 HB THR A 35 1.567 -13.133 -4.843 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.460 -14.106 -2.391 1.00 0.00 H new ATOM 0 HG21 THR A 35 3.662 -14.416 -4.524 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.002 -12.774 -5.120 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.257 -13.168 -3.404 1.00 0.00 H new ATOM 554 N LYS A 36 1.095 -9.970 -5.233 1.00 0.00 N ATOM 555 CA LYS A 36 -0.071 -9.310 -5.886 1.00 0.00 C ATOM 556 C LYS A 36 -1.195 -10.327 -6.083 1.00 0.00 C ATOM 557 O LYS A 36 -2.350 -10.049 -5.830 1.00 0.00 O ATOM 558 CB LYS A 36 0.456 -8.821 -7.236 1.00 0.00 C ATOM 559 CG LYS A 36 -0.377 -7.630 -7.709 1.00 0.00 C ATOM 560 CD LYS A 36 0.551 -6.463 -8.055 1.00 0.00 C ATOM 561 CE LYS A 36 -0.285 -5.271 -8.527 1.00 0.00 C ATOM 562 NZ LYS A 36 -0.598 -5.562 -9.953 1.00 0.00 N ATOM 0 H LYS A 36 2.007 -9.719 -5.616 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.477 -8.492 -5.291 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.503 -8.533 -7.146 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.408 -9.626 -7.970 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.968 -7.909 -8.581 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.079 -7.332 -6.931 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.143 -6.184 -7.183 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.253 -6.761 -8.834 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.195 -5.168 -7.936 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.267 -4.337 -8.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.022 -4.951 -10.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.385 -6.559 -10.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.606 -5.380 -10.131 1.00 0.00 H new ATOM 576 N THR A 37 -0.861 -11.509 -6.522 1.00 0.00 N ATOM 577 CA THR A 37 -1.904 -12.552 -6.722 1.00 0.00 C ATOM 578 C THR A 37 -2.587 -12.867 -5.392 1.00 0.00 C ATOM 579 O THR A 37 -3.793 -12.972 -5.309 1.00 0.00 O ATOM 580 CB THR A 37 -1.153 -13.767 -7.233 1.00 0.00 C ATOM 581 OG1 THR A 37 -0.203 -13.365 -8.211 1.00 0.00 O ATOM 582 CG2 THR A 37 -2.140 -14.759 -7.845 1.00 0.00 C ATOM 0 H THR A 37 0.090 -11.797 -6.751 1.00 0.00 H new ATOM 0 HA THR A 37 -2.682 -12.234 -7.416 1.00 0.00 H new ATOM 0 HB THR A 37 -0.632 -14.246 -6.404 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.282 -14.151 -8.538 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.599 -15.631 -8.212 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.860 -15.070 -7.088 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.667 -14.284 -8.673 1.00 0.00 H new ATOM 590 N GLU A 38 -1.819 -13.011 -4.347 1.00 0.00 N ATOM 591 CA GLU A 38 -2.421 -13.312 -3.018 1.00 0.00 C ATOM 592 C GLU A 38 -3.465 -12.248 -2.678 1.00 0.00 C ATOM 593 O GLU A 38 -4.520 -12.544 -2.154 1.00 0.00 O ATOM 594 CB GLU A 38 -1.256 -13.259 -2.031 1.00 0.00 C ATOM 595 CG GLU A 38 -0.795 -14.681 -1.707 1.00 0.00 C ATOM 596 CD GLU A 38 0.225 -14.641 -0.569 1.00 0.00 C ATOM 597 OE1 GLU A 38 -0.098 -14.087 0.470 1.00 0.00 O ATOM 598 OE2 GLU A 38 1.311 -15.165 -0.754 1.00 0.00 O ATOM 0 H GLU A 38 -0.802 -12.933 -4.356 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.923 -14.279 -2.993 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.432 -12.686 -2.456 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.562 -12.748 -1.118 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.649 -15.295 -1.422 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.352 -15.141 -2.590 1.00 0.00 H new ATOM 605 N ILE A 39 -3.185 -11.013 -2.991 1.00 0.00 N ATOM 606 CA ILE A 39 -4.170 -9.936 -2.705 1.00 0.00 C ATOM 607 C ILE A 39 -5.485 -10.266 -3.413 1.00 0.00 C ATOM 608 O ILE A 39 -6.557 -9.933 -2.949 1.00 0.00 O ATOM 609 CB ILE A 39 -3.530 -8.662 -3.268 1.00 0.00 C ATOM 610 CG1 ILE A 39 -2.494 -8.141 -2.269 1.00 0.00 C ATOM 611 CG2 ILE A 39 -4.598 -7.587 -3.496 1.00 0.00 C ATOM 612 CD1 ILE A 39 -1.412 -7.358 -3.012 1.00 0.00 C ATOM 0 H ILE A 39 -2.318 -10.705 -3.432 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.398 -9.823 -1.645 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.052 -8.892 -4.220 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.977 -7.502 -1.530 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.046 -8.974 -1.727 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.130 -6.688 -3.896 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.340 -7.956 -4.205 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.085 -7.352 -2.550 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.676 -6.988 -2.298 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.922 -8.011 -3.734 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.866 -6.516 -3.534 1.00 0.00 H new ATOM 624 N LYS A 40 -5.407 -10.936 -4.527 1.00 0.00 N ATOM 625 CA LYS A 40 -6.647 -11.310 -5.261 1.00 0.00 C ATOM 626 C LYS A 40 -7.505 -12.221 -4.384 1.00 0.00 C ATOM 627 O LYS A 40 -8.697 -12.031 -4.241 1.00 0.00 O ATOM 628 CB LYS A 40 -6.154 -12.075 -6.488 1.00 0.00 C ATOM 629 CG LYS A 40 -7.335 -12.371 -7.412 1.00 0.00 C ATOM 630 CD LYS A 40 -7.063 -13.658 -8.191 1.00 0.00 C ATOM 631 CE LYS A 40 -7.475 -13.467 -9.652 1.00 0.00 C ATOM 632 NZ LYS A 40 -6.665 -14.460 -10.411 1.00 0.00 N ATOM 0 H LYS A 40 -4.537 -11.242 -4.962 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.254 -10.446 -5.531 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.402 -11.489 -7.017 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.676 -13.005 -6.182 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.250 -12.473 -6.829 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.488 -11.541 -8.102 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.006 -13.915 -8.131 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.618 -14.486 -7.751 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.542 -13.641 -9.788 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.273 -12.451 -9.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.891 -14.391 -11.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.654 -14.265 -10.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.884 -15.418 -10.072 1.00 0.00 H new ATOM 646 N ASN A 41 -6.897 -13.215 -3.803 1.00 0.00 N ATOM 647 CA ASN A 41 -7.651 -14.161 -2.934 1.00 0.00 C ATOM 648 C ASN A 41 -8.013 -13.507 -1.596 1.00 0.00 C ATOM 649 O ASN A 41 -9.048 -13.786 -1.024 1.00 0.00 O ATOM 650 CB ASN A 41 -6.696 -15.335 -2.713 1.00 0.00 C ATOM 651 CG ASN A 41 -6.623 -16.180 -3.986 1.00 0.00 C ATOM 652 OD1 ASN A 41 -7.327 -17.162 -4.119 1.00 0.00 O ATOM 653 ND2 ASN A 41 -5.794 -15.838 -4.935 1.00 0.00 N ATOM 0 H ASN A 41 -5.901 -13.415 -3.893 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.591 -14.470 -3.390 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.704 -14.966 -2.451 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.040 -15.945 -1.878 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.737 -16.395 -5.788 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -5.203 -15.014 -4.824 1.00 0.00 H new ATOM 660 N ALA A 42 -7.169 -12.652 -1.079 1.00 0.00 N ATOM 661 CA ALA A 42 -7.484 -12.014 0.232 1.00 0.00 C ATOM 662 C ALA A 42 -8.813 -11.254 0.158 1.00 0.00 C ATOM 663 O ALA A 42 -9.681 -11.439 0.986 1.00 0.00 O ATOM 664 CB ALA A 42 -6.311 -11.070 0.530 1.00 0.00 C ATOM 0 H ALA A 42 -6.285 -12.371 -1.503 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.601 -12.753 1.025 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.481 -10.568 1.483 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.386 -11.644 0.582 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.232 -10.326 -0.263 1.00 0.00 H new ATOM 670 N VAL A 43 -8.997 -10.416 -0.824 1.00 0.00 N ATOM 671 CA VAL A 43 -10.296 -9.680 -0.917 1.00 0.00 C ATOM 672 C VAL A 43 -11.424 -10.658 -1.252 1.00 0.00 C ATOM 673 O VAL A 43 -12.527 -10.537 -0.758 1.00 0.00 O ATOM 674 CB VAL A 43 -10.138 -8.639 -2.028 1.00 0.00 C ATOM 675 CG1 VAL A 43 -9.363 -7.441 -1.484 1.00 0.00 C ATOM 676 CG2 VAL A 43 -9.387 -9.237 -3.221 1.00 0.00 C ATOM 0 H VAL A 43 -8.318 -10.209 -1.557 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.547 -9.197 0.028 1.00 0.00 H new ATOM 0 HB VAL A 43 -11.126 -8.323 -2.363 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.247 -6.695 -2.270 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.909 -7.004 -0.648 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.380 -7.767 -1.145 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.284 -8.483 -4.001 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.398 -9.565 -2.901 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -9.944 -10.089 -3.611 1.00 0.00 H new ATOM 686 N GLU A 44 -11.157 -11.637 -2.075 1.00 0.00 N ATOM 687 CA GLU A 44 -12.219 -12.624 -2.415 1.00 0.00 C ATOM 688 C GLU A 44 -12.621 -13.375 -1.146 1.00 0.00 C ATOM 689 O GLU A 44 -13.786 -13.597 -0.879 1.00 0.00 O ATOM 690 CB GLU A 44 -11.576 -13.573 -3.427 1.00 0.00 C ATOM 691 CG GLU A 44 -11.994 -13.172 -4.843 1.00 0.00 C ATOM 692 CD GLU A 44 -13.090 -14.117 -5.339 1.00 0.00 C ATOM 693 OE1 GLU A 44 -13.601 -14.876 -4.531 1.00 0.00 O ATOM 694 OE2 GLU A 44 -13.398 -14.068 -6.519 1.00 0.00 O ATOM 0 H GLU A 44 -10.254 -11.794 -2.523 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.117 -12.161 -2.824 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.491 -13.539 -3.334 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.881 -14.599 -3.224 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.356 -12.144 -4.849 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.135 -13.212 -5.512 1.00 0.00 H new ATOM 701 N THR A 45 -11.655 -13.751 -0.354 1.00 0.00 N ATOM 702 CA THR A 45 -11.955 -14.470 0.914 1.00 0.00 C ATOM 703 C THR A 45 -12.401 -13.459 1.977 1.00 0.00 C ATOM 704 O THR A 45 -13.031 -13.806 2.956 1.00 0.00 O ATOM 705 CB THR A 45 -10.635 -15.150 1.285 1.00 0.00 C ATOM 706 OG1 THR A 45 -10.710 -16.529 0.947 1.00 0.00 O ATOM 707 CG2 THR A 45 -10.345 -15.011 2.784 1.00 0.00 C ATOM 0 H THR A 45 -10.664 -13.589 -0.533 1.00 0.00 H new ATOM 0 HA THR A 45 -12.761 -15.198 0.827 1.00 0.00 H new ATOM 0 HB THR A 45 -9.829 -14.667 0.733 1.00 0.00 H new ATOM 0 HG1 THR A 45 -10.584 -17.071 1.754 1.00 0.00 H new ATOM 0 HG21 THR A 45 -9.401 -15.503 3.019 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.278 -13.955 3.045 1.00 0.00 H new ATOM 0 HG23 THR A 45 -11.149 -15.476 3.355 1.00 0.00 H new ATOM 715 N ALA A 46 -12.068 -12.212 1.790 1.00 0.00 N ATOM 716 CA ALA A 46 -12.461 -11.178 2.786 1.00 0.00 C ATOM 717 C ALA A 46 -13.698 -10.413 2.304 1.00 0.00 C ATOM 718 O ALA A 46 -14.764 -10.507 2.882 1.00 0.00 O ATOM 719 CB ALA A 46 -11.256 -10.243 2.879 1.00 0.00 C ATOM 0 H ALA A 46 -11.540 -11.865 0.989 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.718 -11.614 3.752 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.466 -9.449 3.596 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.383 -10.807 3.207 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.059 -9.805 1.900 1.00 0.00 H new ATOM 725 N PHE A 47 -13.565 -9.651 1.251 1.00 0.00 N ATOM 726 CA PHE A 47 -14.730 -8.875 0.736 1.00 0.00 C ATOM 727 C PHE A 47 -15.739 -9.810 0.060 1.00 0.00 C ATOM 728 O PHE A 47 -16.902 -9.487 -0.079 1.00 0.00 O ATOM 729 CB PHE A 47 -14.135 -7.903 -0.283 1.00 0.00 C ATOM 730 CG PHE A 47 -13.297 -6.873 0.436 1.00 0.00 C ATOM 731 CD1 PHE A 47 -13.906 -5.950 1.295 1.00 0.00 C ATOM 732 CD2 PHE A 47 -11.911 -6.842 0.244 1.00 0.00 C ATOM 733 CE1 PHE A 47 -13.128 -4.995 1.961 1.00 0.00 C ATOM 734 CE2 PHE A 47 -11.133 -5.887 0.911 1.00 0.00 C ATOM 735 CZ PHE A 47 -11.741 -4.964 1.769 1.00 0.00 C ATOM 0 H PHE A 47 -12.699 -9.533 0.725 1.00 0.00 H new ATOM 0 HA PHE A 47 -15.265 -8.358 1.533 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -13.524 -8.445 -1.005 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -14.932 -7.413 -0.843 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -14.975 -5.975 1.444 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -11.441 -7.554 -0.418 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -13.598 -4.282 2.623 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.063 -5.863 0.763 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.141 -4.228 2.283 1.00 0.00 H new ATOM 745 N LYS A 48 -15.302 -10.965 -0.358 1.00 0.00 N ATOM 746 CA LYS A 48 -16.230 -11.925 -1.025 1.00 0.00 C ATOM 747 C LYS A 48 -16.747 -11.337 -2.336 1.00 0.00 C ATOM 748 O LYS A 48 -17.929 -11.354 -2.616 1.00 0.00 O ATOM 749 CB LYS A 48 -17.377 -12.131 -0.034 1.00 0.00 C ATOM 750 CG LYS A 48 -16.809 -12.336 1.372 1.00 0.00 C ATOM 751 CD LYS A 48 -17.320 -13.662 1.939 1.00 0.00 C ATOM 752 CE LYS A 48 -18.313 -13.384 3.071 1.00 0.00 C ATOM 753 NZ LYS A 48 -19.424 -14.351 2.853 1.00 0.00 N ATOM 0 H LYS A 48 -14.339 -11.288 -0.267 1.00 0.00 H new ATOM 0 HA LYS A 48 -15.739 -12.866 -1.274 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -18.042 -11.267 -0.046 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -17.973 -12.996 -0.326 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -15.719 -12.338 1.339 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -17.107 -11.512 2.020 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -17.801 -14.244 1.153 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -16.485 -14.257 2.311 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -17.850 -13.528 4.047 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -18.672 -12.355 3.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -20.146 -14.222 3.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -19.850 -14.185 1.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -19.053 -15.322 2.897 1.00 0.00 H new ATOM 767 N VAL A 49 -15.866 -10.816 -3.139 1.00 0.00 N ATOM 768 CA VAL A 49 -16.288 -10.222 -4.432 1.00 0.00 C ATOM 769 C VAL A 49 -15.562 -10.915 -5.591 1.00 0.00 C ATOM 770 O VAL A 49 -15.068 -12.017 -5.460 1.00 0.00 O ATOM 771 CB VAL A 49 -15.892 -8.742 -4.313 1.00 0.00 C ATOM 772 CG1 VAL A 49 -14.533 -8.473 -4.975 1.00 0.00 C ATOM 773 CG2 VAL A 49 -16.960 -7.893 -4.981 1.00 0.00 C ATOM 0 H VAL A 49 -14.864 -10.776 -2.953 1.00 0.00 H new ATOM 0 HA VAL A 49 -17.353 -10.338 -4.634 1.00 0.00 H new ATOM 0 HB VAL A 49 -15.808 -8.487 -3.257 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -14.282 -7.417 -4.874 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.766 -9.077 -4.490 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -14.585 -8.734 -6.032 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -16.689 -6.840 -4.903 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -17.040 -8.170 -6.032 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -17.918 -8.059 -4.488 1.00 0.00 H new ATOM 783 N LYS A 50 -15.483 -10.266 -6.719 1.00 0.00 N ATOM 784 CA LYS A 50 -14.776 -10.874 -7.880 1.00 0.00 C ATOM 785 C LYS A 50 -13.571 -10.010 -8.251 1.00 0.00 C ATOM 786 O LYS A 50 -13.714 -8.899 -8.720 1.00 0.00 O ATOM 787 CB LYS A 50 -15.797 -10.890 -9.018 1.00 0.00 C ATOM 788 CG LYS A 50 -15.364 -11.910 -10.074 1.00 0.00 C ATOM 789 CD LYS A 50 -14.270 -11.303 -10.954 1.00 0.00 C ATOM 790 CE LYS A 50 -14.465 -11.763 -12.400 1.00 0.00 C ATOM 791 NZ LYS A 50 -13.505 -12.887 -12.580 1.00 0.00 N ATOM 0 H LYS A 50 -15.878 -9.341 -6.887 1.00 0.00 H new ATOM 0 HA LYS A 50 -14.407 -11.877 -7.664 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -16.784 -11.146 -8.632 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -15.876 -9.899 -9.465 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -14.996 -12.815 -9.591 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -16.218 -12.200 -10.686 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.306 -10.215 -10.899 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.288 -11.608 -10.593 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -15.490 -12.088 -12.576 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.262 -10.954 -13.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.580 -13.256 -13.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.537 -12.547 -12.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.727 -13.645 -11.903 1.00 0.00 H new ATOM 805 N VAL A 51 -12.384 -10.504 -8.035 1.00 0.00 N ATOM 806 CA VAL A 51 -11.178 -9.697 -8.366 1.00 0.00 C ATOM 807 C VAL A 51 -10.907 -9.735 -9.870 1.00 0.00 C ATOM 808 O VAL A 51 -10.687 -10.782 -10.447 1.00 0.00 O ATOM 809 CB VAL A 51 -10.034 -10.355 -7.599 1.00 0.00 C ATOM 810 CG1 VAL A 51 -8.739 -9.585 -7.862 1.00 0.00 C ATOM 811 CG2 VAL A 51 -10.348 -10.331 -6.101 1.00 0.00 C ATOM 0 H VAL A 51 -12.198 -11.428 -7.645 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.300 -8.649 -8.094 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.917 -11.387 -7.929 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.920 -10.053 -7.315 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.518 -9.599 -8.929 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.855 -8.554 -7.529 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.533 -10.800 -5.551 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.462 -9.299 -5.770 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.273 -10.877 -5.914 1.00 0.00 H new ATOM 821 N VAL A 52 -10.920 -8.598 -10.505 1.00 0.00 N ATOM 822 CA VAL A 52 -10.661 -8.553 -11.969 1.00 0.00 C ATOM 823 C VAL A 52 -9.348 -7.816 -12.245 1.00 0.00 C ATOM 824 O VAL A 52 -8.924 -7.681 -13.376 1.00 0.00 O ATOM 825 CB VAL A 52 -11.846 -7.785 -12.551 1.00 0.00 C ATOM 826 CG1 VAL A 52 -11.868 -6.368 -11.986 1.00 0.00 C ATOM 827 CG2 VAL A 52 -11.712 -7.708 -14.064 1.00 0.00 C ATOM 0 H VAL A 52 -11.100 -7.693 -10.070 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.565 -9.546 -12.409 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.768 -8.302 -12.287 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.715 -5.823 -12.403 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.963 -6.410 -10.901 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.942 -5.857 -12.249 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.559 -7.160 -14.477 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -10.786 -7.194 -14.322 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.695 -8.716 -14.480 1.00 0.00 H new ATOM 837 N LYS A 53 -8.703 -7.338 -11.217 1.00 0.00 N ATOM 838 CA LYS A 53 -7.418 -6.609 -11.409 1.00 0.00 C ATOM 839 C LYS A 53 -6.924 -6.066 -10.066 1.00 0.00 C ATOM 840 O LYS A 53 -7.588 -5.277 -9.423 1.00 0.00 O ATOM 841 CB LYS A 53 -7.750 -5.460 -12.360 1.00 0.00 C ATOM 842 CG LYS A 53 -7.124 -5.731 -13.729 1.00 0.00 C ATOM 843 CD LYS A 53 -6.641 -4.414 -14.338 1.00 0.00 C ATOM 844 CE LYS A 53 -5.113 -4.423 -14.429 1.00 0.00 C ATOM 845 NZ LYS A 53 -4.814 -4.796 -15.838 1.00 0.00 N ATOM 0 H LYS A 53 -9.012 -7.421 -10.248 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.632 -7.250 -11.808 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.831 -5.355 -12.457 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.374 -4.520 -11.956 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.290 -6.425 -13.628 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.853 -6.203 -14.387 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.074 -4.279 -15.329 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.975 -3.575 -13.727 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.697 -3.446 -14.182 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.680 -5.139 -13.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.784 -4.823 -15.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.216 -5.733 -16.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.233 -4.093 -16.480 1.00 0.00 H new ATOM 859 N VAL A 54 -5.766 -6.483 -9.635 1.00 0.00 N ATOM 860 CA VAL A 54 -5.240 -5.988 -8.331 1.00 0.00 C ATOM 861 C VAL A 54 -3.987 -5.132 -8.553 1.00 0.00 C ATOM 862 O VAL A 54 -3.075 -5.519 -9.257 1.00 0.00 O ATOM 863 CB VAL A 54 -4.929 -7.262 -7.519 1.00 0.00 C ATOM 864 CG1 VAL A 54 -3.544 -7.175 -6.861 1.00 0.00 C ATOM 865 CG2 VAL A 54 -5.980 -7.422 -6.421 1.00 0.00 C ATOM 0 H VAL A 54 -5.163 -7.142 -10.127 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.949 -5.349 -7.806 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.943 -8.114 -8.199 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.352 -8.087 -6.295 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.782 -7.059 -7.631 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.514 -6.318 -6.188 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.767 -8.321 -5.842 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.955 -6.553 -5.764 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.968 -7.507 -6.873 1.00 0.00 H new ATOM 875 N ASN A 55 -3.934 -3.983 -7.943 1.00 0.00 N ATOM 876 CA ASN A 55 -2.740 -3.113 -8.099 1.00 0.00 C ATOM 877 C ASN A 55 -2.264 -2.648 -6.727 1.00 0.00 C ATOM 878 O ASN A 55 -2.955 -1.940 -6.028 1.00 0.00 O ATOM 879 CB ASN A 55 -3.212 -1.927 -8.942 1.00 0.00 C ATOM 880 CG ASN A 55 -4.029 -2.439 -10.130 1.00 0.00 C ATOM 881 OD1 ASN A 55 -5.042 -3.085 -9.951 1.00 0.00 O ATOM 882 ND2 ASN A 55 -3.629 -2.176 -11.344 1.00 0.00 N ATOM 0 H ASN A 55 -4.668 -3.609 -7.342 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.905 -3.629 -8.573 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.816 -1.253 -8.335 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.355 -1.355 -9.296 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.167 -2.513 -12.142 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.778 -1.634 -11.494 1.00 0.00 H new ATOM 889 N THR A 56 -1.090 -3.046 -6.336 1.00 0.00 N ATOM 890 CA THR A 56 -0.575 -2.635 -5.001 1.00 0.00 C ATOM 891 C THR A 56 0.674 -1.767 -5.167 1.00 0.00 C ATOM 892 O THR A 56 1.474 -1.974 -6.056 1.00 0.00 O ATOM 893 CB THR A 56 -0.236 -3.935 -4.233 1.00 0.00 C ATOM 894 OG1 THR A 56 1.113 -3.881 -3.792 1.00 0.00 O ATOM 895 CG2 THR A 56 -0.425 -5.176 -5.114 1.00 0.00 C ATOM 0 H THR A 56 -0.463 -3.638 -6.881 1.00 0.00 H new ATOM 0 HA THR A 56 -1.313 -2.047 -4.456 1.00 0.00 H new ATOM 0 HB THR A 56 -0.915 -4.012 -3.384 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.711 -4.067 -4.546 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.178 -6.070 -4.541 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.462 -5.233 -5.445 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.230 -5.109 -5.983 1.00 0.00 H new ATOM 903 N LEU A 57 0.843 -0.796 -4.313 1.00 0.00 N ATOM 904 CA LEU A 57 2.037 0.088 -4.416 1.00 0.00 C ATOM 905 C LEU A 57 2.618 0.346 -3.024 1.00 0.00 C ATOM 906 O LEU A 57 1.961 0.146 -2.021 1.00 0.00 O ATOM 907 CB LEU A 57 1.511 1.386 -5.028 1.00 0.00 C ATOM 908 CG LEU A 57 0.237 1.815 -4.297 1.00 0.00 C ATOM 909 CD1 LEU A 57 0.317 3.304 -3.961 1.00 0.00 C ATOM 910 CD2 LEU A 57 -0.975 1.560 -5.195 1.00 0.00 C ATOM 0 H LEU A 57 0.205 -0.577 -3.548 1.00 0.00 H new ATOM 0 HA LEU A 57 2.833 -0.353 -5.017 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.267 2.168 -4.954 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.304 1.243 -6.089 1.00 0.00 H new ATOM 0 HG LEU A 57 0.136 1.241 -3.376 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.591 3.609 -3.440 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.181 3.487 -3.322 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.418 3.880 -4.881 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.883 1.865 -4.676 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.873 2.135 -6.116 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.033 0.498 -5.435 1.00 0.00 H new ATOM 922 N HIS A 58 3.843 0.788 -2.951 1.00 0.00 N ATOM 923 CA HIS A 58 4.457 1.055 -1.619 1.00 0.00 C ATOM 924 C HIS A 58 3.969 2.394 -1.071 1.00 0.00 C ATOM 925 O HIS A 58 4.045 3.415 -1.726 1.00 0.00 O ATOM 926 CB HIS A 58 5.965 1.088 -1.871 1.00 0.00 C ATOM 927 CG HIS A 58 6.633 0.019 -1.051 1.00 0.00 C ATOM 928 ND1 HIS A 58 7.959 -0.337 -1.243 1.00 0.00 N ATOM 929 CD2 HIS A 58 6.173 -0.781 -0.034 1.00 0.00 C ATOM 930 CE1 HIS A 58 8.248 -1.313 -0.362 1.00 0.00 C ATOM 931 NE2 HIS A 58 7.195 -1.621 0.400 1.00 0.00 N ATOM 0 H HIS A 58 4.444 0.976 -3.753 1.00 0.00 H new ATOM 0 HA HIS A 58 4.189 0.297 -0.883 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.171 0.931 -2.930 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.367 2.067 -1.609 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.171 -0.762 0.368 1.00 0.00 H new ATOM 0 HE1 HIS A 58 9.214 -1.789 -0.281 1.00 0.00 H new ATOM 0 HE2 HIS A 58 7.149 -2.321 1.141 1.00 0.00 H new ATOM 939 N VAL A 59 3.469 2.390 0.129 1.00 0.00 N ATOM 940 CA VAL A 59 2.969 3.652 0.740 1.00 0.00 C ATOM 941 C VAL A 59 3.768 3.973 2.004 1.00 0.00 C ATOM 942 O VAL A 59 3.851 3.177 2.917 1.00 0.00 O ATOM 943 CB VAL A 59 1.502 3.379 1.085 1.00 0.00 C ATOM 944 CG1 VAL A 59 0.639 3.552 -0.166 1.00 0.00 C ATOM 945 CG2 VAL A 59 1.346 1.952 1.618 1.00 0.00 C ATOM 0 H VAL A 59 3.384 1.562 0.718 1.00 0.00 H new ATOM 0 HA VAL A 59 3.073 4.505 0.070 1.00 0.00 H new ATOM 0 HB VAL A 59 1.180 4.085 1.851 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.404 3.357 0.082 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.739 4.571 -0.539 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.966 2.851 -0.934 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.300 1.767 1.861 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.674 1.242 0.859 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.954 1.830 2.515 1.00 0.00 H new ATOM 955 N ARG A 60 4.366 5.131 2.060 1.00 0.00 N ATOM 956 CA ARG A 60 5.168 5.498 3.262 1.00 0.00 C ATOM 957 C ARG A 60 4.411 6.515 4.121 1.00 0.00 C ATOM 958 O ARG A 60 3.746 7.396 3.615 1.00 0.00 O ATOM 959 CB ARG A 60 6.451 6.115 2.702 1.00 0.00 C ATOM 960 CG ARG A 60 7.424 5.004 2.295 1.00 0.00 C ATOM 961 CD ARG A 60 6.675 3.919 1.514 1.00 0.00 C ATOM 962 NE ARG A 60 7.741 3.044 0.953 1.00 0.00 N ATOM 963 CZ ARG A 60 8.438 3.441 -0.077 1.00 0.00 C ATOM 964 NH1 ARG A 60 7.849 4.055 -1.066 1.00 0.00 N ATOM 965 NH2 ARG A 60 9.724 3.223 -0.119 1.00 0.00 N ATOM 0 H ARG A 60 4.334 5.839 1.326 1.00 0.00 H new ATOM 0 HA ARG A 60 5.371 4.639 3.902 1.00 0.00 H new ATOM 0 HB2 ARG A 60 6.219 6.742 1.841 1.00 0.00 H new ATOM 0 HB3 ARG A 60 6.912 6.760 3.450 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.227 5.417 1.684 1.00 0.00 H new ATOM 0 HG3 ARG A 60 7.888 4.572 3.181 1.00 0.00 H new ATOM 0 HD2 ARG A 60 6.004 3.357 2.164 1.00 0.00 H new ATOM 0 HD3 ARG A 60 6.063 4.353 0.723 1.00 0.00 H new ATOM 0 HE ARG A 60 7.927 2.134 1.374 1.00 0.00 H new ATOM 0 HH11 ARG A 60 6.844 4.225 -1.035 1.00 0.00 H new ATOM 0 HH12 ARG A 60 8.394 4.365 -1.871 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.185 2.742 0.653 1.00 0.00 H new ATOM 0 HH22 ARG A 60 10.268 3.533 -0.924 1.00 0.00 H new ATOM 979 N GLY A 61 4.508 6.398 5.416 1.00 0.00 N ATOM 980 CA GLY A 61 3.798 7.357 6.307 1.00 0.00 C ATOM 981 C GLY A 61 2.377 6.856 6.574 1.00 0.00 C ATOM 982 O GLY A 61 1.806 6.131 5.784 1.00 0.00 O ATOM 0 H GLY A 61 5.049 5.679 5.896 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.339 7.464 7.247 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.765 8.343 5.844 1.00 0.00 H new ATOM 986 N LYS A 62 1.803 7.236 7.682 1.00 0.00 N ATOM 987 CA LYS A 62 0.418 6.781 7.999 1.00 0.00 C ATOM 988 C LYS A 62 -0.352 7.893 8.715 1.00 0.00 C ATOM 989 O LYS A 62 -1.314 8.428 8.199 1.00 0.00 O ATOM 990 CB LYS A 62 0.600 5.574 8.919 1.00 0.00 C ATOM 991 CG LYS A 62 -0.024 4.338 8.271 1.00 0.00 C ATOM 992 CD LYS A 62 0.989 3.191 8.275 1.00 0.00 C ATOM 993 CE LYS A 62 2.241 3.612 7.502 1.00 0.00 C ATOM 994 NZ LYS A 62 2.914 2.336 7.136 1.00 0.00 N ATOM 0 H LYS A 62 2.232 7.842 8.382 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.150 6.528 7.104 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.660 5.403 9.106 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.133 5.766 9.885 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.923 4.045 8.813 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.328 4.565 7.249 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.253 2.928 9.299 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.550 2.303 7.821 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.982 4.190 6.615 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.890 4.240 8.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.639 2.521 6.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.363 1.926 7.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.211 1.669 6.759 1.00 0.00 H new ATOM 1008 N LYS A 63 0.062 8.246 9.901 1.00 0.00 N ATOM 1009 CA LYS A 63 -0.648 9.323 10.651 1.00 0.00 C ATOM 1010 C LYS A 63 0.336 10.428 11.047 1.00 0.00 C ATOM 1011 O LYS A 63 -0.057 11.496 11.472 1.00 0.00 O ATOM 1012 CB LYS A 63 -1.213 8.635 11.894 1.00 0.00 C ATOM 1013 CG LYS A 63 -2.244 9.549 12.559 1.00 0.00 C ATOM 1014 CD LYS A 63 -3.056 8.745 13.578 1.00 0.00 C ATOM 1015 CE LYS A 63 -4.549 8.964 13.329 1.00 0.00 C ATOM 1016 NZ LYS A 63 -5.111 7.597 13.143 1.00 0.00 N ATOM 0 H LYS A 63 0.861 7.836 10.384 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.431 9.794 10.056 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.675 7.687 11.619 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.409 8.407 12.594 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.743 10.382 13.053 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.906 9.977 11.806 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.815 7.685 13.496 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.796 9.054 14.591 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.019 9.473 14.170 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.716 9.583 12.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.134 7.663 12.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.649 7.139 12.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.943 7.033 14.000 1.00 0.00 H new ATOM 1030 N LYS A 64 1.610 10.181 10.907 1.00 0.00 N ATOM 1031 CA LYS A 64 2.616 11.213 11.271 1.00 0.00 C ATOM 1032 C LYS A 64 4.033 10.670 11.075 1.00 0.00 C ATOM 1033 O LYS A 64 4.362 9.587 11.520 1.00 0.00 O ATOM 1034 CB LYS A 64 2.358 11.522 12.746 1.00 0.00 C ATOM 1035 CG LYS A 64 2.556 13.019 12.997 1.00 0.00 C ATOM 1036 CD LYS A 64 1.193 13.701 13.117 1.00 0.00 C ATOM 1037 CE LYS A 64 1.182 14.606 14.351 1.00 0.00 C ATOM 1038 NZ LYS A 64 -0.039 15.445 14.202 1.00 0.00 N ATOM 0 H LYS A 64 1.996 9.305 10.555 1.00 0.00 H new ATOM 0 HA LYS A 64 2.531 12.104 10.649 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.344 11.228 13.018 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.037 10.944 13.374 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.133 13.172 13.909 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.126 13.463 12.181 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.988 14.287 12.221 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.405 12.952 13.195 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.149 14.020 15.270 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.081 15.221 14.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.116 16.093 15.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.024 15.996 13.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.879 14.833 14.168 1.00 0.00 H new ATOM 1052 N ARG A 65 4.876 11.415 10.413 1.00 0.00 N ATOM 1053 CA ARG A 65 6.273 10.946 10.188 1.00 0.00 C ATOM 1054 C ARG A 65 7.268 12.031 10.612 1.00 0.00 C ATOM 1055 O ARG A 65 8.465 11.868 10.494 1.00 0.00 O ATOM 1056 CB ARG A 65 6.368 10.691 8.684 1.00 0.00 C ATOM 1057 CG ARG A 65 5.743 11.864 7.927 1.00 0.00 C ATOM 1058 CD ARG A 65 4.287 11.535 7.588 1.00 0.00 C ATOM 1059 NE ARG A 65 3.647 12.854 7.323 1.00 0.00 N ATOM 1060 CZ ARG A 65 3.923 13.503 6.225 1.00 0.00 C ATOM 1061 NH1 ARG A 65 3.258 13.247 5.132 1.00 0.00 N ATOM 1062 NH2 ARG A 65 4.864 14.408 6.220 1.00 0.00 N ATOM 0 H ARG A 65 4.657 12.329 10.018 1.00 0.00 H new ATOM 0 HA ARG A 65 6.508 10.054 10.768 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.411 10.569 8.390 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.854 9.764 8.428 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.791 12.769 8.533 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.304 12.062 7.014 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.222 10.882 6.717 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.797 11.017 8.412 1.00 0.00 H new ATOM 0 HE ARG A 65 2.994 13.249 7.999 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.523 12.540 5.136 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.473 13.754 4.273 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.384 14.608 7.075 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.079 14.915 5.362 1.00 0.00 H new ATOM 1076 N LEU A 66 6.776 13.139 11.103 1.00 0.00 N ATOM 1077 CA LEU A 66 7.688 14.236 11.535 1.00 0.00 C ATOM 1078 C LEU A 66 8.899 13.661 12.274 1.00 0.00 C ATOM 1079 O LEU A 66 8.761 12.867 13.185 1.00 0.00 O ATOM 1080 CB LEU A 66 6.847 15.102 12.474 1.00 0.00 C ATOM 1081 CG LEU A 66 6.513 16.427 11.787 1.00 0.00 C ATOM 1082 CD1 LEU A 66 5.301 16.238 10.875 1.00 0.00 C ATOM 1083 CD2 LEU A 66 6.194 17.483 12.847 1.00 0.00 C ATOM 0 H LEU A 66 5.781 13.330 11.223 1.00 0.00 H new ATOM 0 HA LEU A 66 8.076 14.806 10.691 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.929 14.579 12.744 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.392 15.288 13.400 1.00 0.00 H new ATOM 0 HG LEU A 66 7.366 16.754 11.193 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.063 17.182 10.386 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.528 15.485 10.120 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.447 15.912 11.468 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.956 18.428 12.359 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.341 17.156 13.441 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.058 17.618 13.497 1.00 0.00 H new ATOM 1095 N GLY A 67 10.084 14.046 11.887 1.00 0.00 N ATOM 1096 CA GLY A 67 11.296 13.516 12.558 1.00 0.00 C ATOM 1097 C GLY A 67 11.479 14.180 13.926 1.00 0.00 C ATOM 1098 O GLY A 67 12.537 14.688 14.240 1.00 0.00 O ATOM 0 H GLY A 67 10.262 14.708 11.131 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.210 12.436 12.679 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.173 13.699 11.937 1.00 0.00 H new ATOM 1102 N ARG A 68 10.462 14.180 14.744 1.00 0.00 N ATOM 1103 CA ARG A 68 10.585 14.807 16.089 1.00 0.00 C ATOM 1104 C ARG A 68 10.204 13.795 17.156 1.00 0.00 C ATOM 1105 O ARG A 68 10.002 14.114 18.310 1.00 0.00 O ATOM 1106 CB ARG A 68 9.605 15.985 16.098 1.00 0.00 C ATOM 1107 CG ARG A 68 9.384 16.505 14.676 1.00 0.00 C ATOM 1108 CD ARG A 68 10.670 17.158 14.162 1.00 0.00 C ATOM 1109 NE ARG A 68 10.440 18.623 14.306 1.00 0.00 N ATOM 1110 CZ ARG A 68 10.229 19.357 13.248 1.00 0.00 C ATOM 1111 NH1 ARG A 68 9.452 18.920 12.295 1.00 0.00 N ATOM 1112 NH2 ARG A 68 10.795 20.527 13.143 1.00 0.00 N ATOM 0 H ARG A 68 9.550 13.772 14.538 1.00 0.00 H new ATOM 0 HA ARG A 68 11.603 15.140 16.293 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.654 15.672 16.530 1.00 0.00 H new ATOM 0 HB3 ARG A 68 9.993 16.785 16.728 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.093 15.685 14.019 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.568 17.227 14.665 1.00 0.00 H new ATOM 0 HD2 ARG A 68 11.536 16.835 14.741 1.00 0.00 H new ATOM 0 HD3 ARG A 68 10.862 16.888 13.124 1.00 0.00 H new ATOM 0 HE ARG A 68 10.447 19.052 15.231 1.00 0.00 H new ATOM 0 HH11 ARG A 68 9.010 18.005 12.377 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.287 19.494 11.468 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.403 20.868 13.888 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.630 21.101 12.316 1.00 0.00 H new ATOM 1126 N TYR A 69 10.106 12.578 16.752 1.00 0.00 N ATOM 1127 CA TYR A 69 9.734 11.487 17.692 1.00 0.00 C ATOM 1128 C TYR A 69 10.021 10.127 17.048 1.00 0.00 C ATOM 1129 O TYR A 69 9.120 9.386 16.708 1.00 0.00 O ATOM 1130 CB TYR A 69 8.237 11.675 17.911 1.00 0.00 C ATOM 1131 CG TYR A 69 7.647 10.429 18.525 1.00 0.00 C ATOM 1132 CD1 TYR A 69 8.002 10.053 19.826 1.00 0.00 C ATOM 1133 CD2 TYR A 69 6.743 9.649 17.793 1.00 0.00 C ATOM 1134 CE1 TYR A 69 7.455 8.897 20.395 1.00 0.00 C ATOM 1135 CE2 TYR A 69 6.196 8.493 18.362 1.00 0.00 C ATOM 1136 CZ TYR A 69 6.551 8.118 19.663 1.00 0.00 C ATOM 1137 OH TYR A 69 6.011 6.978 20.224 1.00 0.00 O ATOM 0 H TYR A 69 10.269 12.276 15.791 1.00 0.00 H new ATOM 0 HA TYR A 69 10.294 11.519 18.627 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.061 12.531 18.563 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.746 11.891 16.962 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.698 10.655 20.391 1.00 0.00 H new ATOM 0 HD2 TYR A 69 6.468 9.939 16.790 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.730 8.606 21.398 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.500 7.890 17.797 1.00 0.00 H new ATOM 0 HH TYR A 69 5.402 6.555 19.583 1.00 0.00 H new ATOM 1147 N LEU A 70 11.271 9.795 16.872 1.00 0.00 N ATOM 1148 CA LEU A 70 11.612 8.487 16.244 1.00 0.00 C ATOM 1149 C LEU A 70 10.704 8.233 15.046 1.00 0.00 C ATOM 1150 O LEU A 70 10.265 7.127 14.799 1.00 0.00 O ATOM 1151 CB LEU A 70 11.365 7.452 17.330 1.00 0.00 C ATOM 1152 CG LEU A 70 12.325 6.275 17.149 1.00 0.00 C ATOM 1153 CD1 LEU A 70 13.068 6.016 18.461 1.00 0.00 C ATOM 1154 CD2 LEU A 70 11.531 5.027 16.759 1.00 0.00 C ATOM 0 H LEU A 70 12.070 10.372 17.136 1.00 0.00 H new ATOM 0 HA LEU A 70 12.639 8.456 15.880 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.507 7.901 18.313 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.333 7.103 17.285 1.00 0.00 H new ATOM 0 HG LEU A 70 13.044 6.510 16.364 1.00 0.00 H new ATOM 0 HD11 LEU A 70 13.752 5.177 18.332 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.633 6.905 18.741 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.349 5.781 19.246 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.214 4.187 16.630 1.00 0.00 H new ATOM 0 HD22 LEU A 70 10.812 4.793 17.544 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.000 5.211 15.825 1.00 0.00 H new ATOM 1166 N GLY A 71 10.428 9.259 14.311 1.00 0.00 N ATOM 1167 CA GLY A 71 9.546 9.118 13.118 1.00 0.00 C ATOM 1168 C GLY A 71 10.389 8.732 11.901 1.00 0.00 C ATOM 1169 O GLY A 71 11.490 9.214 11.718 1.00 0.00 O ATOM 0 H GLY A 71 10.775 10.203 14.481 1.00 0.00 H new ATOM 0 HA2 GLY A 71 8.786 8.359 13.302 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.022 10.054 12.928 1.00 0.00 H new ATOM 1173 N LYS A 72 9.882 7.866 11.068 1.00 0.00 N ATOM 1174 CA LYS A 72 10.653 7.447 9.862 1.00 0.00 C ATOM 1175 C LYS A 72 9.739 6.713 8.878 1.00 0.00 C ATOM 1176 O LYS A 72 9.313 5.601 9.124 1.00 0.00 O ATOM 1177 CB LYS A 72 11.734 6.505 10.391 1.00 0.00 C ATOM 1178 CG LYS A 72 12.961 7.316 10.810 1.00 0.00 C ATOM 1179 CD LYS A 72 14.228 6.500 10.547 1.00 0.00 C ATOM 1180 CE LYS A 72 15.449 7.421 10.599 1.00 0.00 C ATOM 1181 NZ LYS A 72 16.125 7.236 9.285 1.00 0.00 N ATOM 0 H LYS A 72 8.966 7.429 11.170 1.00 0.00 H new ATOM 0 HA LYS A 72 11.077 8.297 9.328 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.353 5.938 11.240 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.008 5.782 9.623 1.00 0.00 H new ATOM 0 HG2 LYS A 72 12.998 8.253 10.254 1.00 0.00 H new ATOM 0 HG3 LYS A 72 12.895 7.575 11.867 1.00 0.00 H new ATOM 0 HD2 LYS A 72 14.324 5.709 11.290 1.00 0.00 H new ATOM 0 HD3 LYS A 72 14.166 6.016 9.572 1.00 0.00 H new ATOM 0 HE2 LYS A 72 15.154 8.460 10.749 1.00 0.00 H new ATOM 0 HE3 LYS A 72 16.110 7.155 11.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 16.974 7.836 9.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 16.400 6.239 9.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 15.474 7.503 8.519 1.00 0.00 H new ATOM 1195 N ARG A 73 9.435 7.322 7.765 1.00 0.00 N ATOM 1196 CA ARG A 73 8.551 6.652 6.768 1.00 0.00 C ATOM 1197 C ARG A 73 8.988 5.198 6.574 1.00 0.00 C ATOM 1198 O ARG A 73 9.988 4.930 5.940 1.00 0.00 O ATOM 1199 CB ARG A 73 8.737 7.448 5.477 1.00 0.00 C ATOM 1200 CG ARG A 73 7.790 8.649 5.474 1.00 0.00 C ATOM 1201 CD ARG A 73 8.243 9.656 4.415 1.00 0.00 C ATOM 1202 NE ARG A 73 7.692 10.963 4.865 1.00 0.00 N ATOM 1203 CZ ARG A 73 8.099 12.070 4.305 1.00 0.00 C ATOM 1204 NH1 ARG A 73 8.381 12.090 3.031 1.00 0.00 N ATOM 1205 NH2 ARG A 73 8.226 13.156 5.018 1.00 0.00 N ATOM 0 H ARG A 73 9.759 8.253 7.503 1.00 0.00 H new ATOM 0 HA ARG A 73 7.508 6.631 7.084 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.770 7.786 5.392 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.538 6.813 4.614 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.771 8.321 5.267 1.00 0.00 H new ATOM 0 HG3 ARG A 73 7.780 9.120 6.457 1.00 0.00 H new ATOM 0 HD2 ARG A 73 9.330 9.690 4.342 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.866 9.387 3.428 1.00 0.00 H new ATOM 0 HE ARG A 73 6.997 10.994 5.611 1.00 0.00 H new ATOM 0 HH11 ARG A 73 8.283 11.241 2.474 1.00 0.00 H new ATOM 0 HH12 ARG A 73 8.699 12.954 2.593 1.00 0.00 H new ATOM 0 HH21 ARG A 73 8.007 13.141 6.014 1.00 0.00 H new ATOM 0 HH22 ARG A 73 8.544 14.020 4.579 1.00 0.00 H new ATOM 1219 N PRO A 74 8.216 4.307 7.133 1.00 0.00 N ATOM 1220 CA PRO A 74 8.522 2.859 7.028 1.00 0.00 C ATOM 1221 C PRO A 74 8.237 2.356 5.614 1.00 0.00 C ATOM 1222 O PRO A 74 8.037 3.126 4.696 1.00 0.00 O ATOM 1223 CB PRO A 74 7.570 2.217 8.031 1.00 0.00 C ATOM 1224 CG PRO A 74 6.434 3.180 8.151 1.00 0.00 C ATOM 1225 CD PRO A 74 6.998 4.558 7.909 1.00 0.00 C ATOM 0 HA PRO A 74 9.568 2.627 7.230 1.00 0.00 H new ATOM 0 HB2 PRO A 74 7.227 1.243 7.683 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.057 2.058 8.993 1.00 0.00 H new ATOM 0 HG2 PRO A 74 5.654 2.949 7.425 1.00 0.00 H new ATOM 0 HG3 PRO A 74 5.978 3.118 9.139 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.297 5.186 7.360 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.219 5.070 8.846 1.00 0.00 H new ATOM 1233 N ASP A 75 8.205 1.067 5.437 1.00 0.00 N ATOM 1234 CA ASP A 75 7.917 0.505 4.095 1.00 0.00 C ATOM 1235 C ASP A 75 6.601 -0.263 4.137 1.00 0.00 C ATOM 1236 O ASP A 75 6.564 -1.449 4.393 1.00 0.00 O ATOM 1237 CB ASP A 75 9.083 -0.438 3.798 1.00 0.00 C ATOM 1238 CG ASP A 75 9.803 0.022 2.528 1.00 0.00 C ATOM 1239 OD1 ASP A 75 9.151 0.608 1.680 1.00 0.00 O ATOM 1240 OD2 ASP A 75 10.994 -0.219 2.427 1.00 0.00 O ATOM 0 H ASP A 75 8.367 0.376 6.170 1.00 0.00 H new ATOM 0 HA ASP A 75 7.820 1.275 3.329 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.777 -0.450 4.638 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.717 -1.457 3.672 1.00 0.00 H new ATOM 1245 N ARG A 76 5.523 0.409 3.884 1.00 0.00 N ATOM 1246 CA ARG A 76 4.196 -0.271 3.901 1.00 0.00 C ATOM 1247 C ARG A 76 3.691 -0.471 2.469 1.00 0.00 C ATOM 1248 O ARG A 76 3.895 0.360 1.606 1.00 0.00 O ATOM 1249 CB ARG A 76 3.270 0.668 4.676 1.00 0.00 C ATOM 1250 CG ARG A 76 1.817 0.219 4.494 1.00 0.00 C ATOM 1251 CD ARG A 76 1.678 -1.251 4.895 1.00 0.00 C ATOM 1252 NE ARG A 76 0.758 -1.246 6.065 1.00 0.00 N ATOM 1253 CZ ARG A 76 1.202 -1.577 7.247 1.00 0.00 C ATOM 1254 NH1 ARG A 76 2.412 -1.246 7.605 1.00 0.00 N ATOM 1255 NH2 ARG A 76 0.435 -2.240 8.070 1.00 0.00 N ATOM 0 H ARG A 76 5.497 1.405 3.664 1.00 0.00 H new ATOM 0 HA ARG A 76 4.243 -1.257 4.363 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.533 0.664 5.734 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.393 1.691 4.321 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.156 0.836 5.103 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.512 0.353 3.456 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.273 -1.847 4.077 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.645 -1.682 5.155 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.220 -0.984 5.943 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.011 -0.729 6.961 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.759 -1.504 8.529 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.511 -2.499 7.789 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.782 -2.499 8.994 1.00 0.00 H new ATOM 1269 N LYS A 77 3.042 -1.572 2.210 1.00 0.00 N ATOM 1270 CA LYS A 77 2.533 -1.834 0.833 1.00 0.00 C ATOM 1271 C LYS A 77 1.000 -1.751 0.800 1.00 0.00 C ATOM 1272 O LYS A 77 0.326 -2.168 1.721 1.00 0.00 O ATOM 1273 CB LYS A 77 3.013 -3.250 0.503 1.00 0.00 C ATOM 1274 CG LYS A 77 2.484 -3.671 -0.869 1.00 0.00 C ATOM 1275 CD LYS A 77 2.829 -5.140 -1.119 1.00 0.00 C ATOM 1276 CE LYS A 77 1.648 -5.835 -1.802 1.00 0.00 C ATOM 1277 NZ LYS A 77 2.231 -6.490 -3.004 1.00 0.00 N ATOM 0 H LYS A 77 2.841 -2.303 2.893 1.00 0.00 H new ATOM 0 HA LYS A 77 2.895 -1.102 0.110 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.102 -3.285 0.509 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.667 -3.948 1.266 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.405 -3.527 -0.914 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.922 -3.046 -1.647 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.719 -5.214 -1.744 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.060 -5.636 -0.176 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.183 -6.566 -1.140 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.874 -5.119 -2.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.730 -7.382 -3.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.133 -5.859 -3.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.238 -6.687 -2.838 1.00 0.00 H new ATOM 1291 N LYS A 78 0.451 -1.208 -0.255 1.00 0.00 N ATOM 1292 CA LYS A 78 -1.035 -1.087 -0.360 1.00 0.00 C ATOM 1293 C LYS A 78 -1.543 -1.923 -1.543 1.00 0.00 C ATOM 1294 O LYS A 78 -0.827 -2.131 -2.497 1.00 0.00 O ATOM 1295 CB LYS A 78 -1.287 0.402 -0.606 1.00 0.00 C ATOM 1296 CG LYS A 78 -2.240 0.946 0.464 1.00 0.00 C ATOM 1297 CD LYS A 78 -2.250 2.478 0.443 1.00 0.00 C ATOM 1298 CE LYS A 78 -2.332 2.980 -1.002 1.00 0.00 C ATOM 1299 NZ LYS A 78 -3.440 3.975 -0.999 1.00 0.00 N ATOM 0 H LYS A 78 0.970 -0.841 -1.053 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.551 -1.446 0.531 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.345 0.950 -0.581 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.715 0.550 -1.598 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.247 0.567 0.289 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.932 0.592 1.448 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.098 2.853 1.016 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.349 2.863 0.920 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.393 3.435 -1.316 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.537 2.163 -1.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.626 4.290 -1.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.298 3.538 -0.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.170 4.793 -0.416 1.00 0.00 H new ATOM 1313 N ALA A 79 -2.760 -2.418 -1.489 1.00 0.00 N ATOM 1314 CA ALA A 79 -3.273 -3.251 -2.629 1.00 0.00 C ATOM 1315 C ALA A 79 -4.607 -2.751 -3.166 1.00 0.00 C ATOM 1316 O ALA A 79 -5.587 -2.681 -2.453 1.00 0.00 O ATOM 1317 CB ALA A 79 -3.484 -4.638 -2.064 1.00 0.00 C ATOM 0 H ALA A 79 -3.413 -2.284 -0.717 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.560 -3.215 -3.453 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.859 -5.297 -2.847 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.538 -5.025 -1.687 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.208 -4.593 -1.250 1.00 0.00 H new ATOM 1323 N ILE A 80 -4.657 -2.454 -4.435 1.00 0.00 N ATOM 1324 CA ILE A 80 -5.930 -1.997 -5.052 1.00 0.00 C ATOM 1325 C ILE A 80 -6.558 -3.133 -5.858 1.00 0.00 C ATOM 1326 O ILE A 80 -6.047 -3.534 -6.883 1.00 0.00 O ATOM 1327 CB ILE A 80 -5.529 -0.858 -5.979 1.00 0.00 C ATOM 1328 CG1 ILE A 80 -4.674 0.142 -5.208 1.00 0.00 C ATOM 1329 CG2 ILE A 80 -6.787 -0.160 -6.501 1.00 0.00 C ATOM 1330 CD1 ILE A 80 -4.431 1.360 -6.089 1.00 0.00 C ATOM 0 H ILE A 80 -3.864 -2.509 -5.074 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.662 -1.684 -4.307 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.959 -1.253 -6.820 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.176 0.437 -4.286 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.725 -0.313 -4.923 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.501 0.656 -7.165 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.400 -0.876 -7.049 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.357 0.238 -5.662 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.820 2.084 -5.549 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.913 1.054 -6.998 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.386 1.815 -6.352 1.00 0.00 H new ATOM 1342 N VAL A 81 -7.664 -3.655 -5.413 1.00 0.00 N ATOM 1343 CA VAL A 81 -8.312 -4.762 -6.169 1.00 0.00 C ATOM 1344 C VAL A 81 -9.532 -4.234 -6.925 1.00 0.00 C ATOM 1345 O VAL A 81 -10.375 -3.562 -6.365 1.00 0.00 O ATOM 1346 CB VAL A 81 -8.730 -5.774 -5.104 1.00 0.00 C ATOM 1347 CG1 VAL A 81 -9.377 -6.986 -5.774 1.00 0.00 C ATOM 1348 CG2 VAL A 81 -7.491 -6.222 -4.324 1.00 0.00 C ATOM 0 H VAL A 81 -8.147 -3.366 -4.562 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.648 -5.207 -6.910 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.447 -5.314 -4.424 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.675 -7.707 -5.013 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.256 -6.666 -6.334 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.663 -7.450 -6.454 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.782 -6.945 -3.562 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.778 -6.683 -5.007 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.029 -5.358 -3.847 1.00 0.00 H new ATOM 1358 N GLN A 82 -9.638 -4.532 -8.191 1.00 0.00 N ATOM 1359 CA GLN A 82 -10.804 -4.047 -8.966 1.00 0.00 C ATOM 1360 C GLN A 82 -11.787 -5.184 -9.151 1.00 0.00 C ATOM 1361 O GLN A 82 -11.403 -6.334 -9.236 1.00 0.00 O ATOM 1362 CB GLN A 82 -10.226 -3.619 -10.315 1.00 0.00 C ATOM 1363 CG GLN A 82 -11.335 -3.467 -11.363 1.00 0.00 C ATOM 1364 CD GLN A 82 -11.610 -1.983 -11.608 1.00 0.00 C ATOM 1365 OE1 GLN A 82 -10.715 -1.166 -11.538 1.00 0.00 O ATOM 1366 NE2 GLN A 82 -12.824 -1.599 -11.896 1.00 0.00 N ATOM 0 H GLN A 82 -8.966 -5.090 -8.718 1.00 0.00 H new ATOM 0 HA GLN A 82 -11.332 -3.230 -8.473 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.694 -2.674 -10.204 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.499 -4.357 -10.654 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -11.038 -3.951 -12.294 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -12.243 -3.964 -11.021 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -13.576 -2.286 -11.955 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -13.021 -0.612 -12.062 1.00 0.00 H new ATOM 1375 N VAL A 83 -13.045 -4.886 -9.240 1.00 0.00 N ATOM 1376 CA VAL A 83 -14.012 -5.978 -9.453 1.00 0.00 C ATOM 1377 C VAL A 83 -14.636 -5.839 -10.836 1.00 0.00 C ATOM 1378 O VAL A 83 -14.660 -4.774 -11.419 1.00 0.00 O ATOM 1379 CB VAL A 83 -15.069 -5.872 -8.356 1.00 0.00 C ATOM 1380 CG1 VAL A 83 -14.410 -5.469 -7.035 1.00 0.00 C ATOM 1381 CG2 VAL A 83 -16.118 -4.830 -8.745 1.00 0.00 C ATOM 0 H VAL A 83 -13.439 -3.947 -9.175 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.529 -6.954 -9.404 1.00 0.00 H new ATOM 0 HB VAL A 83 -15.553 -6.841 -8.235 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -15.170 -5.395 -6.257 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.673 -6.220 -6.752 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.917 -4.504 -7.154 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.869 -4.759 -7.959 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -15.637 -3.861 -8.876 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.597 -5.126 -9.678 1.00 0.00 H new ATOM 1391 N ALA A 84 -15.126 -6.910 -11.365 1.00 0.00 N ATOM 1392 CA ALA A 84 -15.736 -6.855 -12.717 1.00 0.00 C ATOM 1393 C ALA A 84 -16.959 -5.938 -12.727 1.00 0.00 C ATOM 1394 O ALA A 84 -17.370 -5.425 -11.705 1.00 0.00 O ATOM 1395 CB ALA A 84 -16.137 -8.290 -13.008 1.00 0.00 C ATOM 0 H ALA A 84 -15.133 -7.829 -10.922 1.00 0.00 H new ATOM 0 HA ALA A 84 -15.051 -6.454 -13.464 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -16.600 -8.346 -13.993 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -15.253 -8.927 -12.986 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -16.847 -8.629 -12.254 1.00 0.00 H new ATOM 1401 N PRO A 85 -17.491 -5.769 -13.903 1.00 0.00 N ATOM 1402 CA PRO A 85 -18.680 -4.907 -14.096 1.00 0.00 C ATOM 1403 C PRO A 85 -19.943 -5.624 -13.614 1.00 0.00 C ATOM 1404 O PRO A 85 -20.901 -5.778 -14.346 1.00 0.00 O ATOM 1405 CB PRO A 85 -18.718 -4.688 -15.604 1.00 0.00 C ATOM 1406 CG PRO A 85 -17.998 -5.852 -16.193 1.00 0.00 C ATOM 1407 CD PRO A 85 -17.030 -6.366 -15.155 1.00 0.00 C ATOM 0 HA PRO A 85 -18.631 -3.973 -13.536 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -19.744 -4.636 -15.967 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -18.236 -3.749 -15.877 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -18.703 -6.633 -16.479 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -17.467 -5.555 -17.098 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -17.042 -7.455 -15.105 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -16.007 -6.069 -15.384 1.00 0.00 H new ATOM 1415 N GLY A 86 -19.949 -6.062 -12.387 1.00 0.00 N ATOM 1416 CA GLY A 86 -21.147 -6.769 -11.852 1.00 0.00 C ATOM 1417 C GLY A 86 -21.140 -6.708 -10.323 1.00 0.00 C ATOM 1418 O GLY A 86 -22.172 -6.578 -9.694 1.00 0.00 O ATOM 0 H GLY A 86 -19.175 -5.961 -11.730 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -22.056 -6.310 -12.240 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -21.148 -7.807 -12.184 1.00 0.00 H new ATOM 1422 N GLN A 87 -19.987 -6.802 -9.721 1.00 0.00 N ATOM 1423 CA GLN A 87 -19.916 -6.751 -8.231 1.00 0.00 C ATOM 1424 C GLN A 87 -19.251 -5.448 -7.777 1.00 0.00 C ATOM 1425 O GLN A 87 -18.873 -4.620 -8.582 1.00 0.00 O ATOM 1426 CB GLN A 87 -19.064 -7.957 -7.831 1.00 0.00 C ATOM 1427 CG GLN A 87 -17.813 -8.020 -8.712 1.00 0.00 C ATOM 1428 CD GLN A 87 -18.073 -8.944 -9.904 1.00 0.00 C ATOM 1429 OE1 GLN A 87 -17.959 -8.532 -11.041 1.00 0.00 O ATOM 1430 NE2 GLN A 87 -18.422 -10.183 -9.691 1.00 0.00 N ATOM 0 H GLN A 87 -19.090 -6.912 -10.195 1.00 0.00 H new ATOM 0 HA GLN A 87 -20.903 -6.780 -7.770 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -18.778 -7.881 -6.782 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -19.642 -8.875 -7.938 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -17.552 -7.022 -9.063 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -16.965 -8.386 -8.133 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -18.518 -10.529 -8.736 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -18.599 -10.806 -10.479 1.00 0.00 H new ATOM 1439 N LYS A 88 -19.108 -5.260 -6.493 1.00 0.00 N ATOM 1440 CA LYS A 88 -18.469 -4.011 -5.988 1.00 0.00 C ATOM 1441 C LYS A 88 -18.330 -4.066 -4.464 1.00 0.00 C ATOM 1442 O LYS A 88 -19.272 -3.826 -3.735 1.00 0.00 O ATOM 1443 CB LYS A 88 -19.415 -2.884 -6.401 1.00 0.00 C ATOM 1444 CG LYS A 88 -20.852 -3.264 -6.039 1.00 0.00 C ATOM 1445 CD LYS A 88 -21.817 -2.236 -6.632 1.00 0.00 C ATOM 1446 CE LYS A 88 -23.027 -2.956 -7.231 1.00 0.00 C ATOM 1447 NZ LYS A 88 -24.137 -1.965 -7.163 1.00 0.00 N ATOM 0 H LYS A 88 -19.406 -5.917 -5.772 1.00 0.00 H new ATOM 0 HA LYS A 88 -17.467 -3.868 -6.393 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -19.135 -1.958 -5.899 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -19.335 -2.702 -7.473 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -21.084 -4.258 -6.421 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -20.967 -3.304 -4.956 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -22.141 -1.539 -5.860 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -21.313 -1.649 -7.400 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -22.835 -3.263 -8.259 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -23.268 -3.858 -6.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -25.003 -2.386 -7.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -24.302 -1.696 -6.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -23.882 -1.120 -7.713 1.00 0.00 H new ATOM 1461 N ILE A 89 -17.159 -4.380 -3.979 1.00 0.00 N ATOM 1462 CA ILE A 89 -16.954 -4.451 -2.502 1.00 0.00 C ATOM 1463 C ILE A 89 -17.654 -3.271 -1.818 1.00 0.00 C ATOM 1464 O ILE A 89 -17.285 -2.127 -1.995 1.00 0.00 O ATOM 1465 CB ILE A 89 -15.437 -4.375 -2.306 1.00 0.00 C ATOM 1466 CG1 ILE A 89 -14.762 -5.515 -3.078 1.00 0.00 C ATOM 1467 CG2 ILE A 89 -15.109 -4.513 -0.817 1.00 0.00 C ATOM 1468 CD1 ILE A 89 -13.302 -5.640 -2.640 1.00 0.00 C ATOM 0 H ILE A 89 -16.335 -4.591 -4.541 1.00 0.00 H new ATOM 0 HA ILE A 89 -17.370 -5.360 -2.067 1.00 0.00 H new ATOM 0 HB ILE A 89 -15.072 -3.417 -2.676 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -15.288 -6.452 -2.896 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -14.815 -5.323 -4.150 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -14.030 -4.459 -0.676 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -15.588 -3.706 -0.263 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -15.475 -5.472 -0.451 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -12.825 -6.451 -3.190 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -12.779 -4.706 -2.845 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -13.260 -5.852 -1.572 1.00 0.00 H new ATOM 1480 N GLU A 90 -18.669 -3.546 -1.046 1.00 0.00 N ATOM 1481 CA GLU A 90 -19.411 -2.452 -0.352 1.00 0.00 C ATOM 1482 C GLU A 90 -18.637 -1.959 0.875 1.00 0.00 C ATOM 1483 O GLU A 90 -18.949 -0.929 1.442 1.00 0.00 O ATOM 1484 CB GLU A 90 -20.737 -3.084 0.072 1.00 0.00 C ATOM 1485 CG GLU A 90 -20.472 -4.212 1.071 1.00 0.00 C ATOM 1486 CD GLU A 90 -21.577 -4.228 2.129 1.00 0.00 C ATOM 1487 OE1 GLU A 90 -22.174 -3.187 2.349 1.00 0.00 O ATOM 1488 OE2 GLU A 90 -21.808 -5.280 2.701 1.00 0.00 O ATOM 0 H GLU A 90 -19.019 -4.487 -0.864 1.00 0.00 H new ATOM 0 HA GLU A 90 -19.553 -1.585 -0.997 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -21.383 -2.330 0.522 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -21.261 -3.473 -0.801 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -20.437 -5.170 0.553 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -19.501 -4.071 1.546 1.00 0.00 H new ATOM 1495 N ALA A 91 -17.641 -2.685 1.299 1.00 0.00 N ATOM 1496 CA ALA A 91 -16.865 -2.255 2.500 1.00 0.00 C ATOM 1497 C ALA A 91 -16.340 -0.826 2.319 1.00 0.00 C ATOM 1498 O ALA A 91 -16.161 -0.099 3.276 1.00 0.00 O ATOM 1499 CB ALA A 91 -15.702 -3.243 2.594 1.00 0.00 C ATOM 0 H ALA A 91 -17.330 -3.556 0.869 1.00 0.00 H new ATOM 0 HA ALA A 91 -17.476 -2.253 3.402 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -15.082 -2.994 3.455 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -16.092 -4.254 2.708 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -15.102 -3.186 1.686 1.00 0.00 H new ATOM 1505 N LEU A 92 -16.097 -0.414 1.106 1.00 0.00 N ATOM 1506 CA LEU A 92 -15.590 0.975 0.879 1.00 0.00 C ATOM 1507 C LEU A 92 -16.706 1.839 0.300 1.00 0.00 C ATOM 1508 O LEU A 92 -16.690 3.049 0.404 1.00 0.00 O ATOM 1509 CB LEU A 92 -14.445 0.864 -0.141 1.00 0.00 C ATOM 1510 CG LEU A 92 -13.832 -0.533 -0.110 1.00 0.00 C ATOM 1511 CD1 LEU A 92 -12.630 -0.586 -1.055 1.00 0.00 C ATOM 1512 CD2 LEU A 92 -13.376 -0.852 1.315 1.00 0.00 C ATOM 0 H LEU A 92 -16.226 -0.974 0.263 1.00 0.00 H new ATOM 0 HA LEU A 92 -15.250 1.429 1.810 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -14.820 1.081 -1.141 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.680 1.608 0.081 1.00 0.00 H new ATOM 0 HG LEU A 92 -14.574 -1.265 -0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -12.193 -1.584 -1.032 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -12.954 -0.355 -2.070 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -11.885 0.144 -0.737 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -12.937 -1.849 1.342 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -12.633 -0.120 1.632 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -14.232 -0.814 1.988 1.00 0.00 H new ATOM 1524 N GLU A 93 -17.672 1.222 -0.319 1.00 0.00 N ATOM 1525 CA GLU A 93 -18.786 2.002 -0.918 1.00 0.00 C ATOM 1526 C GLU A 93 -19.483 2.844 0.156 1.00 0.00 C ATOM 1527 O GLU A 93 -19.890 3.962 -0.085 1.00 0.00 O ATOM 1528 CB GLU A 93 -19.741 0.956 -1.490 1.00 0.00 C ATOM 1529 CG GLU A 93 -19.088 0.271 -2.692 1.00 0.00 C ATOM 1530 CD GLU A 93 -19.313 1.114 -3.947 1.00 0.00 C ATOM 1531 OE1 GLU A 93 -20.461 1.274 -4.331 1.00 0.00 O ATOM 1532 OE2 GLU A 93 -18.336 1.587 -4.504 1.00 0.00 O ATOM 0 H GLU A 93 -17.737 0.211 -0.435 1.00 0.00 H new ATOM 0 HA GLU A 93 -18.439 2.695 -1.684 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -19.988 0.218 -0.727 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -20.676 1.428 -1.791 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -18.020 0.143 -2.514 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.510 -0.724 -2.830 1.00 0.00 H new ATOM 1539 N GLY A 94 -19.623 2.312 1.340 1.00 0.00 N ATOM 1540 CA GLY A 94 -20.294 3.080 2.428 1.00 0.00 C ATOM 1541 C GLY A 94 -19.239 3.663 3.370 1.00 0.00 C ATOM 1542 O GLY A 94 -19.502 3.924 4.527 1.00 0.00 O ATOM 0 H GLY A 94 -19.302 1.380 1.601 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -20.898 3.881 2.002 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -20.971 2.430 2.982 1.00 0.00 H new ATOM 1546 N LEU A 95 -18.045 3.868 2.884 1.00 0.00 N ATOM 1547 CA LEU A 95 -16.973 4.435 3.753 1.00 0.00 C ATOM 1548 C LEU A 95 -16.704 5.893 3.375 1.00 0.00 C ATOM 1549 O LEU A 95 -16.076 6.630 4.110 1.00 0.00 O ATOM 1550 CB LEU A 95 -15.742 3.573 3.476 1.00 0.00 C ATOM 1551 CG LEU A 95 -15.268 2.924 4.777 1.00 0.00 C ATOM 1552 CD1 LEU A 95 -16.417 2.130 5.400 1.00 0.00 C ATOM 1553 CD2 LEU A 95 -14.101 1.980 4.479 1.00 0.00 C ATOM 0 H LEU A 95 -17.765 3.668 1.924 1.00 0.00 H new ATOM 0 HA LEU A 95 -17.247 4.426 4.808 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -15.981 2.805 2.741 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -14.946 4.184 3.051 1.00 0.00 H new ATOM 0 HG LEU A 95 -14.943 3.699 5.472 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -16.079 1.667 6.327 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -17.250 2.801 5.612 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -16.742 1.355 4.706 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -13.762 1.517 5.406 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -14.427 1.206 3.784 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -13.281 2.544 4.034 1.00 0.00 H new ATOM 1565 N ILE A 96 -17.173 6.315 2.233 1.00 0.00 N ATOM 1566 CA ILE A 96 -16.944 7.726 1.807 1.00 0.00 C ATOM 1567 C ILE A 96 -17.636 8.690 2.776 1.00 0.00 C ATOM 1568 O ILE A 96 -17.850 9.829 2.395 1.00 0.00 O ATOM 1569 CB ILE A 96 -17.566 7.826 0.415 1.00 0.00 C ATOM 1570 CG1 ILE A 96 -16.932 6.780 -0.502 1.00 0.00 C ATOM 1571 CG2 ILE A 96 -17.316 9.223 -0.157 1.00 0.00 C ATOM 1572 CD1 ILE A 96 -17.975 5.723 -0.871 1.00 0.00 C ATOM 1573 OXT ILE A 96 -17.938 8.271 3.882 1.00 0.00 O ATOM 0 H ILE A 96 -17.705 5.744 1.576 1.00 0.00 H new ATOM 0 HA ILE A 96 -15.886 7.989 1.800 1.00 0.00 H new ATOM 0 HB ILE A 96 -18.639 7.648 0.483 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -16.548 7.257 -1.404 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -16.084 6.311 -0.004 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -17.760 9.294 -1.150 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -17.767 9.970 0.496 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -16.243 9.401 -0.225 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -17.522 4.978 -1.525 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -18.338 5.238 0.035 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -18.809 6.199 -1.387 1.00 0.00 H new TER 1585 ILE A 96