USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 773 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 39 HIS :FLIP no HE2:sc= -7.04! C(o=-22!,f=-19!) USER MOD Set 1.2: A 89 CYS SG : rot -145:sc= -1.61! USER MOD Set 1.3: A 92 HIS : no HD1:sc= -10.3! C(o=-19!,f=-22!) USER MOD Single : A 2 THR OG1 : rot 6:sc= 0.803 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0438 USER MOD Single : A 11 LYS NZ :NH3+ -161:sc= -0.0993 (180deg=-0.559) USER MOD Single : A 20 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0127) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -9.72! C(o=-9.7!,f=-19!) USER MOD Single : A 34 ASN : amide:sc= -0.435 K(o=-0.43,f=-1.5) USER MOD Single : A 35 LYS NZ :NH3+ -173:sc= 0.0865 (180deg=0.0787) USER MOD Single : A 40 ASN : amide:sc= -1.94 K(o=-1.9,f=-5.1!) USER MOD Single : A 48 ASN : amide:sc= -3.47! C(o=-3.5!,f=-10!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 59:sc= 0.0281 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 78:sc= -1.2 USER MOD Single : A 61 HIS : no HE2:sc= -3.23! C(o=-3.2!,f=-14!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 66 MET CE :methyl -169:sc= -0.0189 (180deg=-0.116) USER MOD Single : A 67 SER OG : rot 180:sc= -1.88! USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 129:sc= -5.36! USER MOD Single : A 72 THR OG1 : rot -0:sc= 1.06 USER MOD Single : A 73 SER OG : rot 52:sc= 0.0922 USER MOD Single : A 74 THR OG1 : rot 126:sc= 0.0543! USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot -30:sc= -0.835! USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.784 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl -113:sc= -2.55 (180deg=-5.15!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 77:sc= 0.968 USER MOD ----------------------------------------------------------------- ATOM 18 N THR A 2 1.576 14.118 2.596 1.00 0.00 N ATOM 19 CA THR A 2 0.864 12.819 2.757 1.00 0.00 C ATOM 20 C THR A 2 0.016 12.544 1.514 1.00 0.00 C ATOM 21 O THR A 2 -0.720 13.392 1.051 1.00 0.00 O ATOM 22 CB THR A 2 -0.045 12.885 3.988 1.00 0.00 C ATOM 23 OG1 THR A 2 0.465 13.849 4.899 1.00 0.00 O ATOM 24 CG2 THR A 2 -0.091 11.516 4.667 1.00 0.00 C ATOM 0 HA THR A 2 1.593 12.019 2.884 1.00 0.00 H new ATOM 0 HB THR A 2 -1.052 13.169 3.681 1.00 0.00 H new ATOM 0 HG1 THR A 2 1.219 14.320 4.488 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.738 11.566 5.543 1.00 0.00 H new ATOM 0 HG22 THR A 2 -0.482 10.776 3.968 1.00 0.00 H new ATOM 0 HG23 THR A 2 0.914 11.229 4.975 1.00 0.00 H new ATOM 32 N TYR A 3 0.110 11.362 0.969 1.00 0.00 N ATOM 33 CA TYR A 3 -0.694 11.033 -0.241 1.00 0.00 C ATOM 34 C TYR A 3 -1.881 10.155 0.164 1.00 0.00 C ATOM 35 O TYR A 3 -2.001 9.750 1.304 1.00 0.00 O ATOM 36 CB TYR A 3 0.184 10.286 -1.247 1.00 0.00 C ATOM 37 CG TYR A 3 1.360 11.156 -1.623 1.00 0.00 C ATOM 38 CD1 TYR A 3 2.334 11.469 -0.667 1.00 0.00 C ATOM 39 CD2 TYR A 3 1.474 11.653 -2.927 1.00 0.00 C ATOM 40 CE1 TYR A 3 3.422 12.278 -1.015 1.00 0.00 C ATOM 41 CE2 TYR A 3 2.562 12.463 -3.274 1.00 0.00 C ATOM 42 CZ TYR A 3 3.536 12.775 -2.319 1.00 0.00 C ATOM 43 OH TYR A 3 4.608 13.574 -2.661 1.00 0.00 O ATOM 0 H TYR A 3 0.709 10.610 1.310 1.00 0.00 H new ATOM 0 HA TYR A 3 -1.063 11.951 -0.699 1.00 0.00 H new ATOM 0 HB2 TYR A 3 0.534 9.348 -0.816 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -0.395 10.033 -2.135 1.00 0.00 H new ATOM 0 HD1 TYR A 3 2.246 11.086 0.339 1.00 0.00 H new ATOM 0 HD2 TYR A 3 0.723 11.412 -3.665 1.00 0.00 H new ATOM 0 HE1 TYR A 3 4.174 12.519 -0.278 1.00 0.00 H new ATOM 0 HE2 TYR A 3 2.650 12.847 -4.280 1.00 0.00 H new ATOM 0 HH TYR A 3 4.536 13.833 -3.603 1.00 0.00 H new ATOM 53 N THR A 4 -2.765 9.863 -0.752 1.00 0.00 N ATOM 54 CA THR A 4 -3.942 9.018 -0.400 1.00 0.00 C ATOM 55 C THR A 4 -4.297 8.098 -1.571 1.00 0.00 C ATOM 56 O THR A 4 -4.862 8.524 -2.558 1.00 0.00 O ATOM 57 CB THR A 4 -5.136 9.922 -0.086 1.00 0.00 C ATOM 58 OG1 THR A 4 -4.707 11.276 -0.058 1.00 0.00 O ATOM 59 CG2 THR A 4 -5.725 9.543 1.274 1.00 0.00 C ATOM 0 H THR A 4 -2.724 10.171 -1.723 1.00 0.00 H new ATOM 0 HA THR A 4 -3.698 8.409 0.471 1.00 0.00 H new ATOM 0 HB THR A 4 -5.898 9.797 -0.855 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.471 11.857 0.141 1.00 0.00 H new ATOM 0 HG21 THR A 4 -6.575 10.188 1.495 1.00 0.00 H new ATOM 0 HG22 THR A 4 -6.054 8.504 1.251 1.00 0.00 H new ATOM 0 HG23 THR A 4 -4.966 9.666 2.046 1.00 0.00 H new ATOM 67 N VAL A 5 -3.979 6.836 -1.465 1.00 0.00 N ATOM 68 CA VAL A 5 -4.305 5.888 -2.562 1.00 0.00 C ATOM 69 C VAL A 5 -5.654 5.228 -2.270 1.00 0.00 C ATOM 70 O VAL A 5 -5.738 4.039 -2.035 1.00 0.00 O ATOM 71 CB VAL A 5 -3.217 4.820 -2.637 1.00 0.00 C ATOM 72 CG1 VAL A 5 -1.856 5.491 -2.829 1.00 0.00 C ATOM 73 CG2 VAL A 5 -3.207 4.012 -1.337 1.00 0.00 C ATOM 0 H VAL A 5 -3.506 6.422 -0.662 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.359 6.420 -3.512 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.417 4.156 -3.478 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.079 4.729 -2.883 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.862 6.068 -3.753 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.656 6.155 -1.988 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.431 3.249 -1.389 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.007 4.677 -0.497 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -4.177 3.534 -1.198 1.00 0.00 H new ATOM 83 N LYS A 6 -6.711 5.993 -2.277 1.00 0.00 N ATOM 84 CA LYS A 6 -8.056 5.418 -1.992 1.00 0.00 C ATOM 85 C LYS A 6 -8.284 4.169 -2.847 1.00 0.00 C ATOM 86 O LYS A 6 -8.649 4.256 -4.003 1.00 0.00 O ATOM 87 CB LYS A 6 -9.128 6.458 -2.321 1.00 0.00 C ATOM 88 CG LYS A 6 -10.170 6.487 -1.202 1.00 0.00 C ATOM 89 CD LYS A 6 -11.542 6.829 -1.786 1.00 0.00 C ATOM 90 CE LYS A 6 -11.488 8.207 -2.447 1.00 0.00 C ATOM 91 NZ LYS A 6 -12.816 8.871 -2.321 1.00 0.00 N ATOM 0 H LYS A 6 -6.701 6.995 -2.468 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.113 5.145 -0.938 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.673 7.442 -2.434 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.605 6.216 -3.271 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.208 5.519 -0.702 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.890 7.224 -0.450 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.836 6.075 -2.516 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.296 6.821 -0.999 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.718 8.818 -1.976 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.218 8.108 -3.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -12.780 9.808 -2.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -13.540 8.290 -2.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.056 8.979 -1.315 1.00 0.00 H new ATOM 105 N LEU A 7 -8.083 3.005 -2.288 1.00 0.00 N ATOM 106 CA LEU A 7 -8.302 1.759 -3.072 1.00 0.00 C ATOM 107 C LEU A 7 -9.787 1.643 -3.417 1.00 0.00 C ATOM 108 O LEU A 7 -10.631 2.230 -2.770 1.00 0.00 O ATOM 109 CB LEU A 7 -7.873 0.538 -2.251 1.00 0.00 C ATOM 110 CG LEU A 7 -8.128 0.780 -0.764 1.00 0.00 C ATOM 111 CD1 LEU A 7 -8.686 -0.493 -0.126 1.00 0.00 C ATOM 112 CD2 LEU A 7 -6.812 1.156 -0.079 1.00 0.00 C ATOM 0 H LEU A 7 -7.777 2.865 -1.325 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.708 1.798 -3.985 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.423 -0.343 -2.582 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.815 0.334 -2.417 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.848 1.590 -0.646 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.867 -0.319 0.935 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.622 -0.765 -0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.967 -1.304 -0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.991 1.329 0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.095 0.344 -0.198 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.412 2.063 -0.532 1.00 0.00 H new ATOM 124 N GLY A 8 -10.114 0.896 -4.435 1.00 0.00 N ATOM 125 CA GLY A 8 -11.547 0.754 -4.818 1.00 0.00 C ATOM 126 C GLY A 8 -12.029 2.061 -5.449 1.00 0.00 C ATOM 127 O GLY A 8 -11.726 3.138 -4.974 1.00 0.00 O ATOM 0 H GLY A 8 -9.454 0.380 -5.016 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -11.668 -0.070 -5.521 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.149 0.516 -3.941 1.00 0.00 H new ATOM 131 N SER A 9 -12.773 1.980 -6.518 1.00 0.00 N ATOM 132 CA SER A 9 -13.267 3.223 -7.177 1.00 0.00 C ATOM 133 C SER A 9 -14.723 3.473 -6.780 1.00 0.00 C ATOM 134 O SER A 9 -15.029 4.407 -6.066 1.00 0.00 O ATOM 135 CB SER A 9 -13.170 3.070 -8.695 1.00 0.00 C ATOM 136 OG SER A 9 -13.412 1.715 -9.046 1.00 0.00 O ATOM 0 H SER A 9 -13.060 1.108 -6.963 1.00 0.00 H new ATOM 0 HA SER A 9 -12.656 4.067 -6.857 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.895 3.720 -9.185 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.183 3.377 -9.041 1.00 0.00 H new ATOM 0 HG SER A 9 -13.352 1.613 -10.019 1.00 0.00 H new ATOM 142 N ASP A 10 -15.624 2.649 -7.237 1.00 0.00 N ATOM 143 CA ASP A 10 -17.059 2.847 -6.882 1.00 0.00 C ATOM 144 C ASP A 10 -17.941 1.970 -7.774 1.00 0.00 C ATOM 145 O ASP A 10 -18.808 1.263 -7.299 1.00 0.00 O ATOM 146 CB ASP A 10 -17.434 4.317 -7.087 1.00 0.00 C ATOM 147 CG ASP A 10 -16.725 4.856 -8.330 1.00 0.00 C ATOM 148 OD1 ASP A 10 -16.279 4.049 -9.129 1.00 0.00 O ATOM 149 OD2 ASP A 10 -16.637 6.065 -8.461 1.00 0.00 O ATOM 0 H ASP A 10 -15.431 1.849 -7.839 1.00 0.00 H new ATOM 0 HA ASP A 10 -17.213 2.569 -5.839 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -18.514 4.416 -7.200 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -17.150 4.901 -6.212 1.00 0.00 H new ATOM 154 N LYS A 11 -17.732 2.011 -9.062 1.00 0.00 N ATOM 155 CA LYS A 11 -18.567 1.180 -9.976 1.00 0.00 C ATOM 156 C LYS A 11 -17.662 0.343 -10.883 1.00 0.00 C ATOM 157 O LYS A 11 -18.049 -0.057 -11.963 1.00 0.00 O ATOM 158 CB LYS A 11 -19.446 2.092 -10.834 1.00 0.00 C ATOM 159 CG LYS A 11 -20.850 2.160 -10.230 1.00 0.00 C ATOM 160 CD LYS A 11 -21.271 3.623 -10.080 1.00 0.00 C ATOM 161 CE LYS A 11 -21.964 4.091 -11.362 1.00 0.00 C ATOM 162 NZ LYS A 11 -20.940 4.379 -12.405 1.00 0.00 N ATOM 0 H LYS A 11 -17.022 2.582 -9.520 1.00 0.00 H new ATOM 0 HA LYS A 11 -19.198 0.516 -9.385 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -19.012 3.090 -10.886 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -19.495 1.713 -11.855 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -21.558 1.630 -10.868 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -20.864 1.665 -9.259 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -21.944 3.733 -9.230 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -20.398 4.244 -9.878 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -22.653 3.324 -11.716 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -22.556 4.984 -11.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -21.355 4.986 -13.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -20.130 4.866 -11.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -20.619 3.487 -12.832 1.00 0.00 H new ATOM 176 N GLY A 12 -16.461 0.072 -10.453 1.00 0.00 N ATOM 177 CA GLY A 12 -15.537 -0.742 -11.289 1.00 0.00 C ATOM 178 C GLY A 12 -15.017 -1.920 -10.465 1.00 0.00 C ATOM 179 O GLY A 12 -15.768 -2.779 -10.047 1.00 0.00 O ATOM 0 H GLY A 12 -16.080 0.380 -9.558 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -16.055 -1.105 -12.177 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -14.704 -0.129 -11.634 1.00 0.00 H new ATOM 183 N LEU A 13 -13.737 -1.965 -10.226 1.00 0.00 N ATOM 184 CA LEU A 13 -13.165 -3.084 -9.426 1.00 0.00 C ATOM 185 C LEU A 13 -12.442 -2.513 -8.205 1.00 0.00 C ATOM 186 O LEU A 13 -12.547 -1.341 -7.901 1.00 0.00 O ATOM 187 CB LEU A 13 -12.163 -3.865 -10.283 1.00 0.00 C ATOM 188 CG LEU A 13 -12.878 -4.488 -11.485 1.00 0.00 C ATOM 189 CD1 LEU A 13 -14.104 -5.265 -11.006 1.00 0.00 C ATOM 190 CD2 LEU A 13 -13.319 -3.384 -12.450 1.00 0.00 C ATOM 0 H LEU A 13 -13.060 -1.274 -10.550 1.00 0.00 H new ATOM 0 HA LEU A 13 -13.967 -3.748 -9.104 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -11.369 -3.201 -10.625 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -11.691 -4.645 -9.686 1.00 0.00 H new ATOM 0 HG LEU A 13 -12.196 -5.166 -11.998 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -14.612 -5.708 -11.863 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -13.790 -6.054 -10.322 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -14.785 -4.588 -10.491 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -13.828 -3.830 -13.305 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -13.999 -2.703 -11.938 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -12.445 -2.832 -12.795 1.00 0.00 H new ATOM 202 N LEU A 14 -11.697 -3.329 -7.510 1.00 0.00 N ATOM 203 CA LEU A 14 -10.954 -2.831 -6.319 1.00 0.00 C ATOM 204 C LEU A 14 -9.507 -2.556 -6.725 1.00 0.00 C ATOM 205 O LEU A 14 -8.711 -3.461 -6.873 1.00 0.00 O ATOM 206 CB LEU A 14 -10.978 -3.892 -5.221 1.00 0.00 C ATOM 207 CG LEU A 14 -12.351 -3.899 -4.553 1.00 0.00 C ATOM 208 CD1 LEU A 14 -12.421 -5.049 -3.548 1.00 0.00 C ATOM 209 CD2 LEU A 14 -12.565 -2.574 -3.819 1.00 0.00 C ATOM 0 H LEU A 14 -11.571 -4.320 -7.716 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.419 -1.918 -5.947 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.762 -4.873 -5.643 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.203 -3.685 -4.483 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.124 -4.027 -5.311 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -13.401 -5.055 -3.070 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -12.264 -5.995 -4.066 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -11.649 -4.918 -2.790 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.545 -2.577 -3.341 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -11.792 -2.449 -3.061 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.511 -1.751 -4.531 1.00 0.00 H new ATOM 221 N VAL A 15 -9.162 -1.314 -6.921 1.00 0.00 N ATOM 222 CA VAL A 15 -7.769 -0.987 -7.333 1.00 0.00 C ATOM 223 C VAL A 15 -7.276 0.237 -6.560 1.00 0.00 C ATOM 224 O VAL A 15 -8.051 0.968 -5.975 1.00 0.00 O ATOM 225 CB VAL A 15 -7.745 -0.686 -8.832 1.00 0.00 C ATOM 226 CG1 VAL A 15 -7.920 -1.987 -9.619 1.00 0.00 C ATOM 227 CG2 VAL A 15 -8.890 0.270 -9.173 1.00 0.00 C ATOM 0 H VAL A 15 -9.784 -0.512 -6.814 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.118 -1.834 -7.117 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.792 -0.228 -9.096 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.903 -1.771 -10.687 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.109 -2.672 -9.374 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.874 -2.445 -9.357 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.877 0.487 -10.241 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.841 -0.192 -8.909 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.769 1.197 -8.613 1.00 0.00 H new ATOM 237 N PHE A 16 -5.991 0.467 -6.557 1.00 0.00 N ATOM 238 CA PHE A 16 -5.447 1.646 -5.826 1.00 0.00 C ATOM 239 C PHE A 16 -5.633 2.899 -6.683 1.00 0.00 C ATOM 240 O PHE A 16 -5.409 2.884 -7.876 1.00 0.00 O ATOM 241 CB PHE A 16 -3.958 1.431 -5.548 1.00 0.00 C ATOM 242 CG PHE A 16 -3.797 0.662 -4.260 1.00 0.00 C ATOM 243 CD1 PHE A 16 -4.159 -0.689 -4.203 1.00 0.00 C ATOM 244 CD2 PHE A 16 -3.292 1.300 -3.121 1.00 0.00 C ATOM 245 CE1 PHE A 16 -4.015 -1.403 -3.007 1.00 0.00 C ATOM 246 CE2 PHE A 16 -3.147 0.586 -1.925 1.00 0.00 C ATOM 247 CZ PHE A 16 -3.509 -0.765 -1.868 1.00 0.00 C ATOM 0 H PHE A 16 -5.295 -0.110 -7.029 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.976 1.768 -4.881 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.498 0.884 -6.371 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.447 2.391 -5.478 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.549 -1.181 -5.082 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.014 2.343 -3.165 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.294 -2.445 -2.963 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.756 1.078 -1.047 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.398 -1.315 -0.945 1.00 0.00 H new ATOM 257 N GLU A 17 -6.045 3.984 -6.086 1.00 0.00 N ATOM 258 CA GLU A 17 -6.247 5.231 -6.874 1.00 0.00 C ATOM 259 C GLU A 17 -5.453 6.377 -6.234 1.00 0.00 C ATOM 260 O GLU A 17 -5.843 6.889 -5.203 1.00 0.00 O ATOM 261 CB GLU A 17 -7.736 5.588 -6.882 1.00 0.00 C ATOM 262 CG GLU A 17 -8.442 4.807 -7.992 1.00 0.00 C ATOM 263 CD GLU A 17 -8.038 5.375 -9.354 1.00 0.00 C ATOM 264 OE1 GLU A 17 -7.804 6.569 -9.429 1.00 0.00 O ATOM 265 OE2 GLU A 17 -7.968 4.605 -10.298 1.00 0.00 O ATOM 0 H GLU A 17 -6.250 4.060 -5.090 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.901 5.076 -7.896 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.183 5.352 -5.916 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.863 6.659 -7.039 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.177 3.751 -7.933 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.523 4.872 -7.866 1.00 0.00 H new ATOM 272 N PRO A 18 -4.361 6.748 -6.859 1.00 0.00 N ATOM 273 CA PRO A 18 -3.882 6.132 -8.110 1.00 0.00 C ATOM 274 C PRO A 18 -3.195 4.795 -7.822 1.00 0.00 C ATOM 275 O PRO A 18 -2.921 4.458 -6.687 1.00 0.00 O ATOM 276 CB PRO A 18 -2.873 7.151 -8.644 1.00 0.00 C ATOM 277 CG PRO A 18 -2.415 7.993 -7.435 1.00 0.00 C ATOM 278 CD PRO A 18 -3.497 7.833 -6.356 1.00 0.00 C ATOM 0 HA PRO A 18 -4.685 5.917 -8.815 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -2.025 6.649 -9.110 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -3.328 7.783 -9.407 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.448 7.650 -7.068 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -2.297 9.040 -7.714 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -3.060 7.578 -5.390 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.059 8.756 -6.217 1.00 0.00 H new ATOM 286 N ALA A 19 -2.905 4.033 -8.841 1.00 0.00 N ATOM 287 CA ALA A 19 -2.228 2.727 -8.621 1.00 0.00 C ATOM 288 C ALA A 19 -0.794 2.985 -8.157 1.00 0.00 C ATOM 289 O ALA A 19 -0.422 2.667 -7.045 1.00 0.00 O ATOM 290 CB ALA A 19 -2.207 1.936 -9.930 1.00 0.00 C ATOM 0 H ALA A 19 -3.108 4.259 -9.815 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.764 2.155 -7.864 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.711 0.979 -9.769 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.229 1.763 -10.267 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.666 2.502 -10.688 1.00 0.00 H new ATOM 296 N LYS A 20 0.010 3.572 -9.000 1.00 0.00 N ATOM 297 CA LYS A 20 1.419 3.864 -8.610 1.00 0.00 C ATOM 298 C LYS A 20 1.462 5.193 -7.854 1.00 0.00 C ATOM 299 O LYS A 20 0.558 5.999 -7.951 1.00 0.00 O ATOM 300 CB LYS A 20 2.292 3.962 -9.865 1.00 0.00 C ATOM 301 CG LYS A 20 1.537 4.726 -10.956 1.00 0.00 C ATOM 302 CD LYS A 20 2.533 5.475 -11.843 1.00 0.00 C ATOM 303 CE LYS A 20 1.774 6.252 -12.921 1.00 0.00 C ATOM 304 NZ LYS A 20 1.347 5.319 -14.001 1.00 0.00 N ATOM 0 H LYS A 20 -0.248 3.863 -9.943 1.00 0.00 H new ATOM 0 HA LYS A 20 1.796 3.064 -7.973 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.227 4.471 -9.631 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.552 2.964 -10.219 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.948 4.033 -11.558 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.838 5.429 -10.504 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.130 6.159 -11.240 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.224 4.771 -12.306 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.904 6.743 -12.485 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.409 7.036 -13.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.922 5.861 -14.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.173 4.795 -14.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.647 4.648 -13.624 1.00 0.00 H new ATOM 318 N LEU A 21 2.499 5.431 -7.097 1.00 0.00 N ATOM 319 CA LEU A 21 2.579 6.711 -6.340 1.00 0.00 C ATOM 320 C LEU A 21 4.041 7.096 -6.113 1.00 0.00 C ATOM 321 O LEU A 21 4.906 6.252 -5.986 1.00 0.00 O ATOM 322 CB LEU A 21 1.889 6.546 -4.984 1.00 0.00 C ATOM 323 CG LEU A 21 1.363 7.902 -4.512 1.00 0.00 C ATOM 324 CD1 LEU A 21 -0.159 7.841 -4.382 1.00 0.00 C ATOM 325 CD2 LEU A 21 1.977 8.244 -3.152 1.00 0.00 C ATOM 0 H LEU A 21 3.289 4.798 -6.971 1.00 0.00 H new ATOM 0 HA LEU A 21 2.085 7.494 -6.916 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.068 5.834 -5.066 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.590 6.142 -4.254 1.00 0.00 H new ATOM 0 HG LEU A 21 1.636 8.669 -5.237 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.534 8.807 -4.046 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.597 7.598 -5.350 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.432 7.074 -3.658 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.602 9.211 -2.816 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.705 7.477 -2.427 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.062 8.288 -3.243 1.00 0.00 H new ATOM 337 N THR A 22 4.319 8.369 -6.052 1.00 0.00 N ATOM 338 CA THR A 22 5.718 8.822 -5.820 1.00 0.00 C ATOM 339 C THR A 22 5.803 9.467 -4.436 1.00 0.00 C ATOM 340 O THR A 22 5.132 10.441 -4.154 1.00 0.00 O ATOM 341 CB THR A 22 6.108 9.845 -6.890 1.00 0.00 C ATOM 342 OG1 THR A 22 5.729 9.357 -8.169 1.00 0.00 O ATOM 343 CG2 THR A 22 7.619 10.070 -6.856 1.00 0.00 C ATOM 0 H THR A 22 3.634 9.118 -6.153 1.00 0.00 H new ATOM 0 HA THR A 22 6.399 7.972 -5.874 1.00 0.00 H new ATOM 0 HB THR A 22 5.598 10.788 -6.694 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.976 10.011 -8.855 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.896 10.798 -7.618 1.00 0.00 H new ATOM 0 HG22 THR A 22 7.909 10.444 -5.874 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.132 9.128 -7.051 1.00 0.00 H new ATOM 351 N ILE A 23 6.612 8.930 -3.565 1.00 0.00 N ATOM 352 CA ILE A 23 6.722 9.511 -2.202 1.00 0.00 C ATOM 353 C ILE A 23 8.190 9.673 -1.820 1.00 0.00 C ATOM 354 O ILE A 23 9.081 9.272 -2.541 1.00 0.00 O ATOM 355 CB ILE A 23 6.042 8.584 -1.195 1.00 0.00 C ATOM 356 CG1 ILE A 23 6.485 7.140 -1.449 1.00 0.00 C ATOM 357 CG2 ILE A 23 4.528 8.687 -1.355 1.00 0.00 C ATOM 358 CD1 ILE A 23 7.136 6.570 -0.186 1.00 0.00 C ATOM 0 H ILE A 23 7.200 8.115 -3.740 1.00 0.00 H new ATOM 0 HA ILE A 23 6.237 10.487 -2.193 1.00 0.00 H new ATOM 0 HB ILE A 23 6.323 8.876 -0.183 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.627 6.531 -1.734 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.190 7.106 -2.280 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.041 8.027 -0.638 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.212 9.715 -1.175 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.248 8.393 -2.367 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.450 5.543 -0.370 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.005 7.173 0.079 1.00 0.00 H new ATOM 0 HD13 ILE A 23 6.418 6.588 0.634 1.00 0.00 H new ATOM 370 N LYS A 24 8.447 10.252 -0.681 1.00 0.00 N ATOM 371 CA LYS A 24 9.855 10.434 -0.242 1.00 0.00 C ATOM 372 C LYS A 24 10.274 9.230 0.603 1.00 0.00 C ATOM 373 O LYS A 24 9.472 8.359 0.873 1.00 0.00 O ATOM 374 CB LYS A 24 9.971 11.715 0.586 1.00 0.00 C ATOM 375 CG LYS A 24 10.901 12.698 -0.128 1.00 0.00 C ATOM 376 CD LYS A 24 10.141 13.387 -1.263 1.00 0.00 C ATOM 377 CE LYS A 24 11.116 13.743 -2.387 1.00 0.00 C ATOM 378 NZ LYS A 24 10.627 14.956 -3.101 1.00 0.00 N ATOM 0 H LYS A 24 7.741 10.607 -0.036 1.00 0.00 H new ATOM 0 HA LYS A 24 10.507 10.513 -1.112 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.987 12.163 0.724 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.359 11.486 1.579 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.274 13.441 0.578 1.00 0.00 H new ATOM 0 HG3 LYS A 24 11.769 12.171 -0.525 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.357 12.731 -1.641 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.651 14.288 -0.893 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.110 13.925 -1.977 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.206 12.909 -3.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.289 15.199 -3.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.687 14.766 -3.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.563 15.750 -2.433 1.00 0.00 H new ATOM 392 N PRO A 25 11.520 9.213 0.993 1.00 0.00 N ATOM 393 CA PRO A 25 12.075 8.120 1.806 1.00 0.00 C ATOM 394 C PRO A 25 11.642 8.261 3.268 1.00 0.00 C ATOM 395 O PRO A 25 12.290 8.923 4.055 1.00 0.00 O ATOM 396 CB PRO A 25 13.588 8.296 1.660 1.00 0.00 C ATOM 397 CG PRO A 25 13.818 9.773 1.258 1.00 0.00 C ATOM 398 CD PRO A 25 12.489 10.278 0.665 1.00 0.00 C ATOM 0 HA PRO A 25 11.734 7.135 1.488 1.00 0.00 H new ATOM 0 HB2 PRO A 25 14.098 8.064 2.595 1.00 0.00 H new ATOM 0 HB3 PRO A 25 13.987 7.621 0.903 1.00 0.00 H new ATOM 0 HG2 PRO A 25 14.108 10.370 2.123 1.00 0.00 H new ATOM 0 HG3 PRO A 25 14.624 9.855 0.529 1.00 0.00 H new ATOM 0 HD2 PRO A 25 12.195 11.233 1.101 1.00 0.00 H new ATOM 0 HD3 PRO A 25 12.565 10.430 -0.412 1.00 0.00 H new ATOM 406 N GLY A 26 10.554 7.642 3.638 1.00 0.00 N ATOM 407 CA GLY A 26 10.088 7.740 5.051 1.00 0.00 C ATOM 408 C GLY A 26 8.797 8.558 5.113 1.00 0.00 C ATOM 409 O GLY A 26 8.292 8.855 6.176 1.00 0.00 O ATOM 0 H GLY A 26 9.969 7.074 3.025 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.918 6.743 5.458 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.857 8.208 5.666 1.00 0.00 H new ATOM 413 N ASP A 27 8.256 8.925 3.983 1.00 0.00 N ATOM 414 CA ASP A 27 6.997 9.722 3.989 1.00 0.00 C ATOM 415 C ASP A 27 5.858 8.864 4.545 1.00 0.00 C ATOM 416 O ASP A 27 6.053 7.726 4.925 1.00 0.00 O ATOM 417 CB ASP A 27 6.658 10.163 2.564 1.00 0.00 C ATOM 418 CG ASP A 27 7.360 11.488 2.258 1.00 0.00 C ATOM 419 OD1 ASP A 27 8.289 11.822 2.975 1.00 0.00 O ATOM 420 OD2 ASP A 27 6.956 12.146 1.314 1.00 0.00 O ATOM 0 H ASP A 27 8.630 8.708 3.059 1.00 0.00 H new ATOM 0 HA ASP A 27 7.129 10.605 4.615 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.972 9.400 1.852 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.580 10.277 2.454 1.00 0.00 H new ATOM 425 N THR A 28 4.673 9.403 4.599 1.00 0.00 N ATOM 426 CA THR A 28 3.523 8.629 5.132 1.00 0.00 C ATOM 427 C THR A 28 2.498 8.402 4.018 1.00 0.00 C ATOM 428 O THR A 28 2.091 9.325 3.340 1.00 0.00 O ATOM 429 CB THR A 28 2.871 9.411 6.274 1.00 0.00 C ATOM 430 OG1 THR A 28 3.883 9.993 7.084 1.00 0.00 O ATOM 431 CG2 THR A 28 2.017 8.468 7.121 1.00 0.00 C ATOM 0 H THR A 28 4.452 10.351 4.295 1.00 0.00 H new ATOM 0 HA THR A 28 3.873 7.666 5.503 1.00 0.00 H new ATOM 0 HB THR A 28 2.238 10.196 5.861 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.468 10.496 7.815 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.554 9.028 7.934 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.241 8.022 6.499 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.646 7.681 7.535 1.00 0.00 H new ATOM 439 N VAL A 29 2.076 7.183 3.823 1.00 0.00 N ATOM 440 CA VAL A 29 1.081 6.903 2.757 1.00 0.00 C ATOM 441 C VAL A 29 -0.218 6.400 3.389 1.00 0.00 C ATOM 442 O VAL A 29 -0.208 5.566 4.272 1.00 0.00 O ATOM 443 CB VAL A 29 1.633 5.839 1.807 1.00 0.00 C ATOM 444 CG1 VAL A 29 0.791 5.812 0.530 1.00 0.00 C ATOM 445 CG2 VAL A 29 3.084 6.174 1.453 1.00 0.00 C ATOM 0 H VAL A 29 2.379 6.369 4.358 1.00 0.00 H new ATOM 0 HA VAL A 29 0.882 7.818 2.199 1.00 0.00 H new ATOM 0 HB VAL A 29 1.593 4.863 2.291 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.183 5.054 -0.148 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.243 5.575 0.781 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.832 6.788 0.046 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.478 5.416 0.776 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.124 7.149 0.968 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.685 6.196 2.362 1.00 0.00 H new ATOM 455 N GLU A 30 -1.338 6.902 2.947 1.00 0.00 N ATOM 456 CA GLU A 30 -2.631 6.455 3.524 1.00 0.00 C ATOM 457 C GLU A 30 -3.320 5.489 2.557 1.00 0.00 C ATOM 458 O GLU A 30 -3.474 5.772 1.386 1.00 0.00 O ATOM 459 CB GLU A 30 -3.531 7.669 3.762 1.00 0.00 C ATOM 460 CG GLU A 30 -3.920 7.736 5.240 1.00 0.00 C ATOM 461 CD GLU A 30 -4.819 8.950 5.478 1.00 0.00 C ATOM 462 OE1 GLU A 30 -4.642 9.939 4.786 1.00 0.00 O ATOM 463 OE2 GLU A 30 -5.671 8.870 6.348 1.00 0.00 O ATOM 0 H GLU A 30 -1.411 7.603 2.210 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.447 5.947 4.471 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.012 8.582 3.470 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.425 7.599 3.143 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.439 6.823 5.532 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.026 7.806 5.859 1.00 0.00 H new ATOM 470 N PHE A 31 -3.739 4.351 3.040 1.00 0.00 N ATOM 471 CA PHE A 31 -4.424 3.366 2.150 1.00 0.00 C ATOM 472 C PHE A 31 -5.757 2.983 2.793 1.00 0.00 C ATOM 473 O PHE A 31 -5.857 1.988 3.480 1.00 0.00 O ATOM 474 CB PHE A 31 -3.550 2.112 1.980 1.00 0.00 C ATOM 475 CG PHE A 31 -2.126 2.415 2.394 1.00 0.00 C ATOM 476 CD1 PHE A 31 -1.754 2.312 3.739 1.00 0.00 C ATOM 477 CD2 PHE A 31 -1.185 2.811 1.436 1.00 0.00 C ATOM 478 CE1 PHE A 31 -0.442 2.605 4.126 1.00 0.00 C ATOM 479 CE2 PHE A 31 0.127 3.101 1.823 1.00 0.00 C ATOM 480 CZ PHE A 31 0.498 2.999 3.168 1.00 0.00 C ATOM 0 H PHE A 31 -3.637 4.059 4.012 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.592 3.807 1.167 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.948 1.297 2.584 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.573 1.780 0.942 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.480 2.006 4.478 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.472 2.892 0.398 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.155 2.527 5.164 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.854 3.404 1.084 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.511 3.225 3.467 1.00 0.00 H new ATOM 490 N LEU A 32 -6.775 3.779 2.586 1.00 0.00 N ATOM 491 CA LEU A 32 -8.098 3.495 3.212 1.00 0.00 C ATOM 492 C LEU A 32 -9.005 2.748 2.241 1.00 0.00 C ATOM 493 O LEU A 32 -8.822 2.781 1.043 1.00 0.00 O ATOM 494 CB LEU A 32 -8.760 4.816 3.594 1.00 0.00 C ATOM 495 CG LEU A 32 -8.741 5.760 2.392 1.00 0.00 C ATOM 496 CD1 LEU A 32 -10.076 6.500 2.307 1.00 0.00 C ATOM 497 CD2 LEU A 32 -7.605 6.772 2.558 1.00 0.00 C ATOM 0 H LEU A 32 -6.744 4.618 2.007 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.943 2.875 4.095 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.786 4.641 3.917 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.234 5.269 4.435 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.585 5.186 1.479 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.065 7.174 1.450 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.885 5.779 2.191 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.232 7.076 3.219 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.590 7.446 1.701 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.761 7.348 3.470 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.654 6.244 2.621 1.00 0.00 H new ATOM 509 N ASN A 33 -9.976 2.055 2.769 1.00 0.00 N ATOM 510 CA ASN A 33 -10.897 1.271 1.907 1.00 0.00 C ATOM 511 C ASN A 33 -11.924 2.182 1.237 1.00 0.00 C ATOM 512 O ASN A 33 -12.036 3.352 1.544 1.00 0.00 O ATOM 513 CB ASN A 33 -11.586 0.199 2.765 1.00 0.00 C ATOM 514 CG ASN A 33 -12.824 0.731 3.497 1.00 0.00 C ATOM 515 OD1 ASN A 33 -13.435 1.705 3.109 1.00 0.00 O ATOM 516 ND2 ASN A 33 -13.220 0.099 4.565 1.00 0.00 N ATOM 0 H ASN A 33 -10.170 2.000 3.769 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.329 0.787 1.112 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.877 -0.637 2.129 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.875 -0.188 3.496 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.043 0.423 5.074 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -12.708 -0.720 4.892 1.00 0.00 H new ATOM 523 N ASN A 34 -12.677 1.641 0.325 1.00 0.00 N ATOM 524 CA ASN A 34 -13.713 2.447 -0.380 1.00 0.00 C ATOM 525 C ASN A 34 -14.868 1.525 -0.778 1.00 0.00 C ATOM 526 O ASN A 34 -16.024 1.897 -0.724 1.00 0.00 O ATOM 527 CB ASN A 34 -13.103 3.079 -1.633 1.00 0.00 C ATOM 528 CG ASN A 34 -14.155 3.934 -2.339 1.00 0.00 C ATOM 529 OD1 ASN A 34 -14.214 5.132 -2.144 1.00 0.00 O ATOM 530 ND2 ASN A 34 -14.994 3.365 -3.161 1.00 0.00 N ATOM 0 H ASN A 34 -12.620 0.665 0.033 1.00 0.00 H new ATOM 0 HA ASN A 34 -14.080 3.237 0.275 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -12.243 3.692 -1.362 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -12.741 2.301 -2.305 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -15.699 3.926 -3.639 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -14.945 2.359 -3.325 1.00 0.00 H new ATOM 537 N LYS A 35 -14.558 0.318 -1.171 1.00 0.00 N ATOM 538 CA LYS A 35 -15.622 -0.643 -1.568 1.00 0.00 C ATOM 539 C LYS A 35 -15.909 -1.596 -0.404 1.00 0.00 C ATOM 540 O LYS A 35 -15.883 -1.212 0.747 1.00 0.00 O ATOM 541 CB LYS A 35 -15.154 -1.435 -2.790 1.00 0.00 C ATOM 542 CG LYS A 35 -16.371 -1.854 -3.618 1.00 0.00 C ATOM 543 CD LYS A 35 -16.138 -1.501 -5.087 1.00 0.00 C ATOM 544 CE LYS A 35 -17.021 -2.386 -5.968 1.00 0.00 C ATOM 545 NZ LYS A 35 -17.416 -1.634 -7.192 1.00 0.00 N ATOM 0 H LYS A 35 -13.606 -0.043 -1.234 1.00 0.00 H new ATOM 0 HA LYS A 35 -16.535 -0.102 -1.818 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -14.480 -0.828 -3.395 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -14.594 -2.315 -2.474 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -16.543 -2.925 -3.514 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -17.265 -1.350 -3.250 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -16.369 -0.450 -5.261 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -15.089 -1.644 -5.345 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -16.484 -3.294 -6.244 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -17.909 -2.696 -5.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -18.110 -2.190 -7.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -17.838 -0.724 -6.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.576 -1.463 -7.781 1.00 0.00 H new ATOM 559 N VAL A 36 -16.201 -2.829 -0.704 1.00 0.00 N ATOM 560 CA VAL A 36 -16.516 -3.821 0.367 1.00 0.00 C ATOM 561 C VAL A 36 -15.261 -4.142 1.201 1.00 0.00 C ATOM 562 O VAL A 36 -14.330 -4.743 0.703 1.00 0.00 O ATOM 563 CB VAL A 36 -17.019 -5.106 -0.292 1.00 0.00 C ATOM 564 CG1 VAL A 36 -17.068 -6.232 0.743 1.00 0.00 C ATOM 565 CG2 VAL A 36 -18.422 -4.871 -0.856 1.00 0.00 C ATOM 0 H VAL A 36 -16.236 -3.198 -1.654 1.00 0.00 H new ATOM 0 HA VAL A 36 -17.275 -3.402 1.028 1.00 0.00 H new ATOM 0 HB VAL A 36 -16.342 -5.388 -1.099 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -17.427 -7.146 0.270 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -16.069 -6.400 1.145 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -17.743 -5.953 1.552 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -18.783 -5.786 -1.326 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -19.096 -4.588 -0.048 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -18.387 -4.072 -1.596 1.00 0.00 H new ATOM 575 N PRO A 37 -15.286 -3.743 2.453 1.00 0.00 N ATOM 576 CA PRO A 37 -14.175 -3.986 3.398 1.00 0.00 C ATOM 577 C PRO A 37 -14.310 -5.388 4.009 1.00 0.00 C ATOM 578 O PRO A 37 -15.272 -6.080 3.739 1.00 0.00 O ATOM 579 CB PRO A 37 -14.399 -2.920 4.475 1.00 0.00 C ATOM 580 CG PRO A 37 -15.896 -2.536 4.414 1.00 0.00 C ATOM 581 CD PRO A 37 -16.418 -3.001 3.044 1.00 0.00 C ATOM 0 HA PRO A 37 -13.189 -3.933 2.936 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -14.138 -3.305 5.461 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -13.768 -2.049 4.295 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -16.451 -3.014 5.222 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -16.024 -1.460 4.532 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -17.298 -3.636 3.148 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -16.707 -2.155 2.421 1.00 0.00 H new ATOM 589 N PRO A 38 -13.368 -5.755 4.848 1.00 0.00 N ATOM 590 CA PRO A 38 -12.193 -4.931 5.190 1.00 0.00 C ATOM 591 C PRO A 38 -11.057 -5.210 4.202 1.00 0.00 C ATOM 592 O PRO A 38 -11.103 -6.158 3.448 1.00 0.00 O ATOM 593 CB PRO A 38 -11.803 -5.443 6.577 1.00 0.00 C ATOM 594 CG PRO A 38 -12.365 -6.883 6.686 1.00 0.00 C ATOM 595 CD PRO A 38 -13.423 -7.035 5.577 1.00 0.00 C ATOM 0 HA PRO A 38 -12.393 -3.860 5.160 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.720 -5.438 6.702 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.217 -4.804 7.357 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.570 -7.618 6.564 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.808 -7.052 7.668 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -13.196 -7.876 4.922 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -14.414 -7.214 5.994 1.00 0.00 H new ATOM 603 N HIS A 39 -10.030 -4.404 4.209 1.00 0.00 N ATOM 604 CA HIS A 39 -8.896 -4.644 3.273 1.00 0.00 C ATOM 605 C HIS A 39 -7.593 -4.794 4.058 1.00 0.00 C ATOM 606 O HIS A 39 -7.372 -4.127 5.050 1.00 0.00 O ATOM 607 CB HIS A 39 -8.771 -3.466 2.307 1.00 0.00 C ATOM 608 CG HIS A 39 -9.973 -3.429 1.407 1.00 0.00 C ATOM 609 ND1 HIS A 39 -11.226 -2.903 1.580 1.00 0.00 N flip ATOM 610 CD2 HIS A 39 -9.964 -4.002 0.140 1.00 0.00 C flip ATOM 611 CE1 HIS A 39 -11.984 -3.144 0.447 1.00 0.00 C flip ATOM 612 NE2 HIS A 39 -11.189 -3.802 -0.392 1.00 0.00 N flip ATOM 0 H HIS A 39 -9.928 -3.593 4.820 1.00 0.00 H new ATOM 0 HA HIS A 39 -9.086 -5.560 2.713 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -8.691 -2.532 2.863 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.862 -3.563 1.714 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -11.550 -2.411 2.413 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.135 -4.510 -0.329 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -13.011 -2.856 0.279 1.00 0.00 H new ATOM 620 N ASN A 40 -6.723 -5.660 3.614 1.00 0.00 N ATOM 621 CA ASN A 40 -5.428 -5.851 4.323 1.00 0.00 C ATOM 622 C ASN A 40 -4.319 -5.158 3.529 1.00 0.00 C ATOM 623 O ASN A 40 -4.334 -5.139 2.314 1.00 0.00 O ATOM 624 CB ASN A 40 -5.118 -7.345 4.432 1.00 0.00 C ATOM 625 CG ASN A 40 -3.993 -7.556 5.446 1.00 0.00 C ATOM 626 OD1 ASN A 40 -2.840 -7.664 5.079 1.00 0.00 O ATOM 627 ND2 ASN A 40 -4.281 -7.619 6.717 1.00 0.00 N ATOM 0 H ASN A 40 -6.855 -6.244 2.788 1.00 0.00 H new ATOM 0 HA ASN A 40 -5.490 -5.423 5.323 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.009 -7.891 4.742 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -4.825 -7.739 3.459 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -3.538 -7.759 7.402 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -5.249 -7.528 7.026 1.00 0.00 H new ATOM 634 N VAL A 41 -3.359 -4.585 4.201 1.00 0.00 N ATOM 635 CA VAL A 41 -2.260 -3.890 3.474 1.00 0.00 C ATOM 636 C VAL A 41 -0.920 -4.548 3.803 1.00 0.00 C ATOM 637 O VAL A 41 -0.537 -4.664 4.950 1.00 0.00 O ATOM 638 CB VAL A 41 -2.220 -2.422 3.892 1.00 0.00 C ATOM 639 CG1 VAL A 41 -0.950 -1.771 3.343 1.00 0.00 C ATOM 640 CG2 VAL A 41 -3.448 -1.703 3.330 1.00 0.00 C ATOM 0 H VAL A 41 -3.288 -4.568 5.218 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.441 -3.961 2.402 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.222 -2.350 4.980 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.920 -0.723 3.641 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.076 -2.286 3.741 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.947 -1.839 2.255 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.423 -0.654 3.626 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.444 -1.773 2.242 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.353 -2.169 3.720 1.00 0.00 H new ATOM 650 N VAL A 42 -0.202 -4.973 2.801 1.00 0.00 N ATOM 651 CA VAL A 42 1.118 -5.619 3.047 1.00 0.00 C ATOM 652 C VAL A 42 2.034 -5.351 1.851 1.00 0.00 C ATOM 653 O VAL A 42 1.597 -4.897 0.813 1.00 0.00 O ATOM 654 CB VAL A 42 0.925 -7.128 3.224 1.00 0.00 C ATOM 655 CG1 VAL A 42 2.025 -7.685 4.129 1.00 0.00 C ATOM 656 CG2 VAL A 42 -0.438 -7.397 3.864 1.00 0.00 C ATOM 0 H VAL A 42 -0.473 -4.901 1.820 1.00 0.00 H new ATOM 0 HA VAL A 42 1.568 -5.209 3.951 1.00 0.00 H new ATOM 0 HB VAL A 42 0.975 -7.613 2.249 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.885 -8.759 4.253 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.999 -7.496 3.677 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.976 -7.198 5.103 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.575 -8.471 3.990 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.486 -6.909 4.837 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.226 -7.003 3.222 1.00 0.00 H new ATOM 666 N PHE A 43 3.302 -5.617 1.989 1.00 0.00 N ATOM 667 CA PHE A 43 4.240 -5.363 0.861 1.00 0.00 C ATOM 668 C PHE A 43 4.890 -6.677 0.421 1.00 0.00 C ATOM 669 O PHE A 43 5.557 -7.344 1.187 1.00 0.00 O ATOM 670 CB PHE A 43 5.303 -4.368 1.325 1.00 0.00 C ATOM 671 CG PHE A 43 4.612 -3.222 2.018 1.00 0.00 C ATOM 672 CD1 PHE A 43 4.085 -3.406 3.299 1.00 0.00 C ATOM 673 CD2 PHE A 43 4.485 -1.983 1.379 1.00 0.00 C ATOM 674 CE1 PHE A 43 3.431 -2.353 3.944 1.00 0.00 C ATOM 675 CE2 PHE A 43 3.831 -0.928 2.026 1.00 0.00 C ATOM 676 CZ PHE A 43 3.304 -1.115 3.310 1.00 0.00 C ATOM 0 H PHE A 43 3.729 -5.999 2.833 1.00 0.00 H new ATOM 0 HA PHE A 43 3.701 -4.947 0.010 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.006 -4.853 2.003 1.00 0.00 H new ATOM 0 HB3 PHE A 43 5.879 -4.005 0.474 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.183 -4.363 3.791 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.891 -1.841 0.388 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.023 -2.497 4.934 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.733 0.029 1.536 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.799 -0.302 3.810 1.00 0.00 H new ATOM 686 N ASP A 44 4.688 -7.055 -0.814 1.00 0.00 N ATOM 687 CA ASP A 44 5.278 -8.328 -1.320 1.00 0.00 C ATOM 688 C ASP A 44 6.713 -8.477 -0.815 1.00 0.00 C ATOM 689 O ASP A 44 7.423 -7.509 -0.627 1.00 0.00 O ATOM 690 CB ASP A 44 5.278 -8.313 -2.851 1.00 0.00 C ATOM 691 CG ASP A 44 5.349 -9.747 -3.377 1.00 0.00 C ATOM 692 OD1 ASP A 44 5.721 -10.620 -2.610 1.00 0.00 O ATOM 693 OD2 ASP A 44 5.032 -9.948 -4.537 1.00 0.00 O ATOM 0 H ASP A 44 4.137 -6.534 -1.496 1.00 0.00 H new ATOM 0 HA ASP A 44 4.683 -9.167 -0.958 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.377 -7.824 -3.220 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.127 -7.737 -3.219 1.00 0.00 H new ATOM 698 N ALA A 45 7.145 -9.689 -0.596 1.00 0.00 N ATOM 699 CA ALA A 45 8.530 -9.914 -0.109 1.00 0.00 C ATOM 700 C ALA A 45 9.413 -10.345 -1.282 1.00 0.00 C ATOM 701 O ALA A 45 10.625 -10.338 -1.197 1.00 0.00 O ATOM 702 CB ALA A 45 8.525 -11.012 0.955 1.00 0.00 C ATOM 0 H ALA A 45 6.593 -10.535 -0.735 1.00 0.00 H new ATOM 0 HA ALA A 45 8.920 -8.993 0.324 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.541 -11.177 1.312 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.892 -10.708 1.789 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.138 -11.935 0.524 1.00 0.00 H new ATOM 708 N ALA A 46 8.811 -10.721 -2.377 1.00 0.00 N ATOM 709 CA ALA A 46 9.610 -11.154 -3.557 1.00 0.00 C ATOM 710 C ALA A 46 9.701 -10.005 -4.563 1.00 0.00 C ATOM 711 O ALA A 46 10.306 -10.130 -5.609 1.00 0.00 O ATOM 712 CB ALA A 46 8.934 -12.360 -4.214 1.00 0.00 C ATOM 0 H ALA A 46 7.799 -10.747 -2.505 1.00 0.00 H new ATOM 0 HA ALA A 46 10.614 -11.431 -3.235 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.518 -12.678 -5.078 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.872 -13.178 -3.496 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.930 -12.084 -4.536 1.00 0.00 H new ATOM 718 N LEU A 47 9.108 -8.883 -4.255 1.00 0.00 N ATOM 719 CA LEU A 47 9.166 -7.728 -5.191 1.00 0.00 C ATOM 720 C LEU A 47 9.885 -6.563 -4.509 1.00 0.00 C ATOM 721 O LEU A 47 9.433 -5.435 -4.544 1.00 0.00 O ATOM 722 CB LEU A 47 7.745 -7.303 -5.568 1.00 0.00 C ATOM 723 CG LEU A 47 7.430 -7.777 -6.986 1.00 0.00 C ATOM 724 CD1 LEU A 47 8.254 -6.968 -7.989 1.00 0.00 C ATOM 725 CD2 LEU A 47 7.783 -9.261 -7.116 1.00 0.00 C ATOM 0 H LEU A 47 8.586 -8.718 -3.394 1.00 0.00 H new ATOM 0 HA LEU A 47 9.707 -8.014 -6.093 1.00 0.00 H new ATOM 0 HB2 LEU A 47 7.029 -7.727 -4.864 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.650 -6.219 -5.506 1.00 0.00 H new ATOM 0 HG LEU A 47 6.369 -7.635 -7.190 1.00 0.00 H new ATOM 0 HD11 LEU A 47 8.030 -7.306 -9.001 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.005 -5.911 -7.896 1.00 0.00 H new ATOM 0 HD13 LEU A 47 9.316 -7.110 -7.786 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.559 -9.601 -8.127 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.845 -9.402 -6.913 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.197 -9.838 -6.401 1.00 0.00 H new ATOM 737 N ASN A 48 11.001 -6.828 -3.887 1.00 0.00 N ATOM 738 CA ASN A 48 11.748 -5.737 -3.201 1.00 0.00 C ATOM 739 C ASN A 48 12.984 -5.366 -4.027 1.00 0.00 C ATOM 740 O ASN A 48 13.403 -6.117 -4.885 1.00 0.00 O ATOM 741 CB ASN A 48 12.181 -6.208 -1.811 1.00 0.00 C ATOM 742 CG ASN A 48 12.528 -7.697 -1.862 1.00 0.00 C ATOM 743 OD1 ASN A 48 12.787 -8.236 -2.919 1.00 0.00 O ATOM 744 ND2 ASN A 48 12.546 -8.389 -0.756 1.00 0.00 N ATOM 0 H ASN A 48 11.427 -7.752 -3.824 1.00 0.00 H new ATOM 0 HA ASN A 48 11.104 -4.863 -3.101 1.00 0.00 H new ATOM 0 HB2 ASN A 48 13.044 -5.634 -1.473 1.00 0.00 H new ATOM 0 HB3 ASN A 48 11.381 -6.035 -1.091 1.00 0.00 H new ATOM 0 HD21 ASN A 48 12.778 -9.382 -0.779 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.329 -7.937 0.132 1.00 0.00 H new ATOM 751 N PRO A 49 13.524 -4.208 -3.744 1.00 0.00 N ATOM 752 CA PRO A 49 14.711 -3.688 -4.447 1.00 0.00 C ATOM 753 C PRO A 49 15.988 -4.360 -3.934 1.00 0.00 C ATOM 754 O PRO A 49 16.943 -4.532 -4.665 1.00 0.00 O ATOM 755 CB PRO A 49 14.709 -2.198 -4.097 1.00 0.00 C ATOM 756 CG PRO A 49 13.893 -2.058 -2.791 1.00 0.00 C ATOM 757 CD PRO A 49 13.000 -3.308 -2.695 1.00 0.00 C ATOM 0 HA PRO A 49 14.683 -3.876 -5.520 1.00 0.00 H new ATOM 0 HB2 PRO A 49 15.726 -1.830 -3.961 1.00 0.00 H new ATOM 0 HB3 PRO A 49 14.262 -1.611 -4.899 1.00 0.00 H new ATOM 0 HG2 PRO A 49 14.554 -1.986 -1.927 1.00 0.00 H new ATOM 0 HG3 PRO A 49 13.289 -1.151 -2.807 1.00 0.00 H new ATOM 0 HD2 PRO A 49 13.062 -3.767 -1.708 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.952 -3.063 -2.867 1.00 0.00 H new ATOM 765 N ALA A 50 16.021 -4.731 -2.683 1.00 0.00 N ATOM 766 CA ALA A 50 17.247 -5.379 -2.138 1.00 0.00 C ATOM 767 C ALA A 50 16.903 -6.754 -1.567 1.00 0.00 C ATOM 768 O ALA A 50 17.525 -7.218 -0.633 1.00 0.00 O ATOM 769 CB ALA A 50 17.841 -4.501 -1.036 1.00 0.00 C ATOM 0 H ALA A 50 15.256 -4.614 -2.018 1.00 0.00 H new ATOM 0 HA ALA A 50 17.974 -5.499 -2.941 1.00 0.00 H new ATOM 0 HB1 ALA A 50 18.738 -4.975 -0.637 1.00 0.00 H new ATOM 0 HB2 ALA A 50 18.099 -3.525 -1.448 1.00 0.00 H new ATOM 0 HB3 ALA A 50 17.110 -4.376 -0.237 1.00 0.00 H new ATOM 775 N LYS A 51 15.924 -7.405 -2.135 1.00 0.00 N ATOM 776 CA LYS A 51 15.524 -8.763 -1.651 1.00 0.00 C ATOM 777 C LYS A 51 15.679 -8.857 -0.129 1.00 0.00 C ATOM 778 O LYS A 51 16.064 -9.881 0.400 1.00 0.00 O ATOM 779 CB LYS A 51 16.410 -9.818 -2.317 1.00 0.00 C ATOM 780 CG LYS A 51 17.811 -9.245 -2.544 1.00 0.00 C ATOM 781 CD LYS A 51 18.705 -10.316 -3.170 1.00 0.00 C ATOM 782 CE LYS A 51 18.295 -10.536 -4.627 1.00 0.00 C ATOM 783 NZ LYS A 51 18.081 -11.991 -4.868 1.00 0.00 N ATOM 0 H LYS A 51 15.378 -7.053 -2.921 1.00 0.00 H new ATOM 0 HA LYS A 51 14.479 -8.936 -1.909 1.00 0.00 H new ATOM 0 HB2 LYS A 51 16.467 -10.707 -1.690 1.00 0.00 H new ATOM 0 HB3 LYS A 51 15.974 -10.126 -3.267 1.00 0.00 H new ATOM 0 HG2 LYS A 51 17.758 -8.374 -3.197 1.00 0.00 H new ATOM 0 HG3 LYS A 51 18.236 -8.909 -1.598 1.00 0.00 H new ATOM 0 HD2 LYS A 51 19.750 -10.009 -3.118 1.00 0.00 H new ATOM 0 HD3 LYS A 51 18.619 -11.248 -2.612 1.00 0.00 H new ATOM 0 HE2 LYS A 51 17.382 -9.982 -4.847 1.00 0.00 H new ATOM 0 HE3 LYS A 51 19.068 -10.156 -5.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 17.802 -12.141 -5.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 18.962 -12.508 -4.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 17.329 -12.340 -4.240 1.00 0.00 H new ATOM 797 N SER A 52 15.389 -7.800 0.580 1.00 0.00 N ATOM 798 CA SER A 52 15.531 -7.842 2.064 1.00 0.00 C ATOM 799 C SER A 52 14.159 -8.037 2.714 1.00 0.00 C ATOM 800 O SER A 52 13.163 -7.510 2.259 1.00 0.00 O ATOM 801 CB SER A 52 16.144 -6.530 2.555 1.00 0.00 C ATOM 802 OG SER A 52 17.562 -6.639 2.533 1.00 0.00 O ATOM 0 H SER A 52 15.061 -6.913 0.198 1.00 0.00 H new ATOM 0 HA SER A 52 16.179 -8.675 2.338 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.821 -5.704 1.921 1.00 0.00 H new ATOM 0 HB3 SER A 52 15.800 -6.310 3.566 1.00 0.00 H new ATOM 0 HG SER A 52 17.861 -6.831 1.620 1.00 0.00 H new ATOM 808 N ALA A 53 14.101 -8.789 3.780 1.00 0.00 N ATOM 809 CA ALA A 53 12.798 -9.020 4.465 1.00 0.00 C ATOM 810 C ALA A 53 12.610 -7.979 5.571 1.00 0.00 C ATOM 811 O ALA A 53 12.384 -8.311 6.718 1.00 0.00 O ATOM 812 CB ALA A 53 12.787 -10.421 5.081 1.00 0.00 C ATOM 0 H ALA A 53 14.902 -9.254 4.206 1.00 0.00 H new ATOM 0 HA ALA A 53 11.988 -8.933 3.741 1.00 0.00 H new ATOM 0 HB1 ALA A 53 11.834 -10.591 5.582 1.00 0.00 H new ATOM 0 HB2 ALA A 53 12.921 -11.165 4.296 1.00 0.00 H new ATOM 0 HB3 ALA A 53 13.598 -10.507 5.804 1.00 0.00 H new ATOM 818 N ASP A 54 12.700 -6.722 5.237 1.00 0.00 N ATOM 819 CA ASP A 54 12.525 -5.664 6.265 1.00 0.00 C ATOM 820 C ASP A 54 11.732 -4.499 5.671 1.00 0.00 C ATOM 821 O ASP A 54 11.811 -3.381 6.137 1.00 0.00 O ATOM 822 CB ASP A 54 13.895 -5.167 6.729 1.00 0.00 C ATOM 823 CG ASP A 54 13.765 -4.527 8.112 1.00 0.00 C ATOM 824 OD1 ASP A 54 13.463 -5.247 9.050 1.00 0.00 O ATOM 825 OD2 ASP A 54 13.970 -3.329 8.211 1.00 0.00 O ATOM 0 H ASP A 54 12.888 -6.383 4.293 1.00 0.00 H new ATOM 0 HA ASP A 54 11.982 -6.074 7.117 1.00 0.00 H new ATOM 0 HB2 ASP A 54 14.601 -5.997 6.766 1.00 0.00 H new ATOM 0 HB3 ASP A 54 14.291 -4.443 6.017 1.00 0.00 H new ATOM 830 N LEU A 55 10.967 -4.752 4.644 1.00 0.00 N ATOM 831 CA LEU A 55 10.171 -3.658 4.022 1.00 0.00 C ATOM 832 C LEU A 55 8.680 -3.984 4.132 1.00 0.00 C ATOM 833 O LEU A 55 7.845 -3.324 3.545 1.00 0.00 O ATOM 834 CB LEU A 55 10.555 -3.520 2.549 1.00 0.00 C ATOM 835 CG LEU A 55 11.154 -2.134 2.308 1.00 0.00 C ATOM 836 CD1 LEU A 55 10.132 -1.064 2.694 1.00 0.00 C ATOM 837 CD2 LEU A 55 12.412 -1.968 3.163 1.00 0.00 C ATOM 0 H LEU A 55 10.859 -5.669 4.210 1.00 0.00 H new ATOM 0 HA LEU A 55 10.377 -2.721 4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.274 -4.292 2.276 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.678 -3.664 1.918 1.00 0.00 H new ATOM 0 HG LEU A 55 11.413 -2.027 1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 55 10.558 -0.075 2.523 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.234 -1.183 2.087 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.874 -1.170 3.748 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.840 -0.980 2.992 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.153 -2.074 4.216 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.141 -2.731 2.890 1.00 0.00 H new ATOM 849 N ALA A 56 8.339 -4.997 4.880 1.00 0.00 N ATOM 850 CA ALA A 56 6.903 -5.363 5.028 1.00 0.00 C ATOM 851 C ALA A 56 6.642 -5.827 6.462 1.00 0.00 C ATOM 852 O ALA A 56 5.692 -5.411 7.096 1.00 0.00 O ATOM 853 CB ALA A 56 6.561 -6.493 4.057 1.00 0.00 C ATOM 0 H ALA A 56 8.993 -5.587 5.395 1.00 0.00 H new ATOM 0 HA ALA A 56 6.282 -4.495 4.807 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.510 -6.761 4.166 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.748 -6.163 3.035 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.181 -7.362 4.277 1.00 0.00 H new ATOM 859 N LYS A 57 7.477 -6.687 6.980 1.00 0.00 N ATOM 860 CA LYS A 57 7.270 -7.173 8.373 1.00 0.00 C ATOM 861 C LYS A 57 7.014 -5.978 9.294 1.00 0.00 C ATOM 862 O LYS A 57 6.389 -6.100 10.328 1.00 0.00 O ATOM 863 CB LYS A 57 8.516 -7.925 8.845 1.00 0.00 C ATOM 864 CG LYS A 57 8.427 -9.387 8.402 1.00 0.00 C ATOM 865 CD LYS A 57 8.045 -10.259 9.600 1.00 0.00 C ATOM 866 CE LYS A 57 6.656 -10.857 9.372 1.00 0.00 C ATOM 867 NZ LYS A 57 6.290 -11.720 10.531 1.00 0.00 N ATOM 0 H LYS A 57 8.290 -7.072 6.500 1.00 0.00 H new ATOM 0 HA LYS A 57 6.412 -7.845 8.400 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.412 -7.462 8.431 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.600 -7.867 9.930 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.686 -9.494 7.610 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.383 -9.713 7.991 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.778 -11.055 9.733 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.051 -9.664 10.513 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.921 -10.061 9.251 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.647 -11.442 8.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.345 -12.127 10.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.986 -12.487 10.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.283 -11.149 11.400 1.00 0.00 H new ATOM 881 N SER A 58 7.491 -4.820 8.924 1.00 0.00 N ATOM 882 CA SER A 58 7.272 -3.619 9.777 1.00 0.00 C ATOM 883 C SER A 58 6.466 -2.581 8.994 1.00 0.00 C ATOM 884 O SER A 58 5.856 -1.696 9.562 1.00 0.00 O ATOM 885 CB SER A 58 8.622 -3.022 10.175 1.00 0.00 C ATOM 886 OG SER A 58 8.425 -2.066 11.208 1.00 0.00 O ATOM 0 H SER A 58 8.022 -4.655 8.069 1.00 0.00 H new ATOM 0 HA SER A 58 6.724 -3.905 10.675 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.295 -3.809 10.515 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.093 -2.551 9.312 1.00 0.00 H new ATOM 0 HG SER A 58 9.289 -1.682 11.467 1.00 0.00 H new ATOM 892 N LEU A 59 6.456 -2.682 7.692 1.00 0.00 N ATOM 893 CA LEU A 59 5.687 -1.702 6.874 1.00 0.00 C ATOM 894 C LEU A 59 4.206 -2.081 6.895 1.00 0.00 C ATOM 895 O LEU A 59 3.338 -1.233 6.937 1.00 0.00 O ATOM 896 CB LEU A 59 6.200 -1.728 5.431 1.00 0.00 C ATOM 897 CG LEU A 59 6.031 -0.345 4.797 1.00 0.00 C ATOM 898 CD1 LEU A 59 6.713 0.708 5.672 1.00 0.00 C ATOM 899 CD2 LEU A 59 6.675 -0.340 3.408 1.00 0.00 C ATOM 0 H LEU A 59 6.947 -3.401 7.160 1.00 0.00 H new ATOM 0 HA LEU A 59 5.815 -0.701 7.286 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.250 -2.021 5.414 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.652 -2.473 4.854 1.00 0.00 H new ATOM 0 HG LEU A 59 4.969 -0.115 4.711 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.591 1.692 5.219 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.260 0.707 6.663 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.775 0.477 5.758 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.555 0.644 2.955 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.736 -0.572 3.498 1.00 0.00 H new ATOM 0 HD23 LEU A 59 6.192 -1.089 2.780 1.00 0.00 H new ATOM 911 N SER A 60 3.911 -3.351 6.862 1.00 0.00 N ATOM 912 CA SER A 60 2.487 -3.787 6.874 1.00 0.00 C ATOM 913 C SER A 60 1.940 -3.715 8.299 1.00 0.00 C ATOM 914 O SER A 60 2.554 -4.178 9.239 1.00 0.00 O ATOM 915 CB SER A 60 2.396 -5.224 6.365 1.00 0.00 C ATOM 916 OG SER A 60 3.425 -5.445 5.412 1.00 0.00 O ATOM 0 H SER A 60 4.596 -4.106 6.827 1.00 0.00 H new ATOM 0 HA SER A 60 1.900 -3.132 6.230 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.495 -5.924 7.195 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.420 -5.402 5.913 1.00 0.00 H new ATOM 0 HG SER A 60 4.277 -5.584 5.876 1.00 0.00 H new ATOM 922 N HIS A 61 0.785 -3.129 8.462 1.00 0.00 N ATOM 923 CA HIS A 61 0.187 -3.014 9.821 1.00 0.00 C ATOM 924 C HIS A 61 -0.561 -4.305 10.164 1.00 0.00 C ATOM 925 O HIS A 61 -0.982 -4.511 11.285 1.00 0.00 O ATOM 926 CB HIS A 61 -0.788 -1.835 9.844 1.00 0.00 C ATOM 927 CG HIS A 61 -1.824 -2.019 8.769 1.00 0.00 C ATOM 928 ND1 HIS A 61 -2.729 -3.072 8.788 1.00 0.00 N ATOM 929 CD2 HIS A 61 -2.112 -1.291 7.640 1.00 0.00 C ATOM 930 CE1 HIS A 61 -3.512 -2.946 7.697 1.00 0.00 C ATOM 931 NE2 HIS A 61 -3.176 -1.880 6.970 1.00 0.00 N ATOM 0 H HIS A 61 0.229 -2.724 7.709 1.00 0.00 H new ATOM 0 HA HIS A 61 0.976 -2.851 10.555 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.269 -1.766 10.820 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.249 -0.901 9.688 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -2.790 -3.804 9.495 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -1.592 -0.399 7.323 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -4.313 -3.625 7.443 1.00 0.00 H new ATOM 939 N LYS A 62 -0.728 -5.177 9.208 1.00 0.00 N ATOM 940 CA LYS A 62 -1.446 -6.455 9.479 1.00 0.00 C ATOM 941 C LYS A 62 -2.821 -6.157 10.078 1.00 0.00 C ATOM 942 O LYS A 62 -3.259 -5.025 10.124 1.00 0.00 O ATOM 943 CB LYS A 62 -0.640 -7.298 10.469 1.00 0.00 C ATOM 944 CG LYS A 62 0.133 -8.378 9.710 1.00 0.00 C ATOM 945 CD LYS A 62 -0.553 -9.731 9.907 1.00 0.00 C ATOM 946 CE LYS A 62 0.216 -10.546 10.948 1.00 0.00 C ATOM 947 NZ LYS A 62 -0.614 -11.702 11.389 1.00 0.00 N ATOM 0 H LYS A 62 -0.398 -5.060 8.250 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.565 -7.002 8.544 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.051 -6.664 11.024 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.307 -7.758 11.198 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.176 -8.131 8.649 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.161 -8.424 10.069 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.583 -9.585 10.233 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.591 -10.272 8.962 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.156 -10.900 10.525 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.467 -9.918 11.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.090 -12.255 12.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.500 -11.354 11.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.832 -12.305 10.570 1.00 0.00 H new ATOM 961 N GLN A 63 -3.502 -7.167 10.543 1.00 0.00 N ATOM 962 CA GLN A 63 -4.845 -6.949 11.143 1.00 0.00 C ATOM 963 C GLN A 63 -5.870 -6.698 10.035 1.00 0.00 C ATOM 964 O GLN A 63 -5.546 -6.701 8.864 1.00 0.00 O ATOM 965 CB GLN A 63 -4.794 -5.737 12.073 1.00 0.00 C ATOM 966 CG GLN A 63 -5.638 -6.014 13.318 1.00 0.00 C ATOM 967 CD GLN A 63 -5.352 -4.948 14.376 1.00 0.00 C ATOM 968 OE1 GLN A 63 -5.232 -3.780 14.061 1.00 0.00 O ATOM 969 NE2 GLN A 63 -5.236 -5.302 15.627 1.00 0.00 N ATOM 0 H GLN A 63 -3.184 -8.136 10.533 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.136 -7.833 11.710 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.763 -5.527 12.359 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.168 -4.853 11.557 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -6.697 -6.011 13.060 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -5.409 -7.004 13.713 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.337 -6.282 15.891 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.045 -4.599 16.340 1.00 0.00 H new ATOM 978 N LEU A 64 -7.105 -6.482 10.396 1.00 0.00 N ATOM 979 CA LEU A 64 -8.151 -6.232 9.366 1.00 0.00 C ATOM 980 C LEU A 64 -8.747 -4.837 9.572 1.00 0.00 C ATOM 981 O LEU A 64 -8.713 -4.292 10.658 1.00 0.00 O ATOM 982 CB LEU A 64 -9.253 -7.284 9.498 1.00 0.00 C ATOM 983 CG LEU A 64 -8.644 -8.682 9.376 1.00 0.00 C ATOM 984 CD1 LEU A 64 -8.039 -9.095 10.719 1.00 0.00 C ATOM 985 CD2 LEU A 64 -9.734 -9.681 8.981 1.00 0.00 C ATOM 0 H LEU A 64 -7.435 -6.468 11.361 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.707 -6.292 8.372 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.757 -7.178 10.458 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.006 -7.136 8.724 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.865 -8.672 8.614 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.605 -10.091 10.632 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.262 -8.385 11.002 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.818 -9.104 11.482 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.300 -10.677 8.894 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.513 -9.690 9.743 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.166 -9.389 8.024 1.00 0.00 H new ATOM 997 N LEU A 65 -9.294 -4.255 8.539 1.00 0.00 N ATOM 998 CA LEU A 65 -9.892 -2.896 8.679 1.00 0.00 C ATOM 999 C LEU A 65 -11.323 -3.020 9.207 1.00 0.00 C ATOM 1000 O LEU A 65 -11.783 -4.097 9.530 1.00 0.00 O ATOM 1001 CB LEU A 65 -9.908 -2.205 7.313 1.00 0.00 C ATOM 1002 CG LEU A 65 -8.551 -1.542 7.046 1.00 0.00 C ATOM 1003 CD1 LEU A 65 -7.419 -2.472 7.490 1.00 0.00 C ATOM 1004 CD2 LEU A 65 -8.412 -1.259 5.548 1.00 0.00 C ATOM 0 H LEU A 65 -9.353 -4.661 7.605 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.298 -2.306 9.378 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.127 -2.932 6.531 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.700 -1.457 7.284 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.492 -0.609 7.607 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.459 -1.994 7.297 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.514 -2.678 8.556 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.477 -3.407 6.933 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.448 -0.788 5.355 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.476 -2.195 4.993 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.213 -0.592 5.228 1.00 0.00 H new ATOM 1016 N MET A 66 -12.032 -1.926 9.302 1.00 0.00 N ATOM 1017 CA MET A 66 -13.431 -1.990 9.813 1.00 0.00 C ATOM 1018 C MET A 66 -14.197 -0.731 9.395 1.00 0.00 C ATOM 1019 O MET A 66 -15.371 -0.783 9.085 1.00 0.00 O ATOM 1020 CB MET A 66 -13.410 -2.087 11.340 1.00 0.00 C ATOM 1021 CG MET A 66 -14.456 -3.102 11.803 1.00 0.00 C ATOM 1022 SD MET A 66 -13.711 -4.751 11.862 1.00 0.00 S ATOM 1023 CE MET A 66 -14.733 -5.508 10.576 1.00 0.00 C ATOM 0 H MET A 66 -11.703 -0.994 9.049 1.00 0.00 H new ATOM 0 HA MET A 66 -13.926 -2.867 9.395 1.00 0.00 H new ATOM 0 HB2 MET A 66 -12.420 -2.388 11.682 1.00 0.00 H new ATOM 0 HB3 MET A 66 -13.616 -1.111 11.780 1.00 0.00 H new ATOM 0 HG2 MET A 66 -14.835 -2.827 12.787 1.00 0.00 H new ATOM 0 HG3 MET A 66 -15.307 -3.100 11.122 1.00 0.00 H new ATOM 0 HE1 MET A 66 -14.579 -6.587 10.577 1.00 0.00 H new ATOM 0 HE2 MET A 66 -15.783 -5.291 10.771 1.00 0.00 H new ATOM 0 HE3 MET A 66 -14.454 -5.103 9.604 1.00 0.00 H new ATOM 1033 N SER A 67 -13.548 0.402 9.395 1.00 0.00 N ATOM 1034 CA SER A 67 -14.246 1.661 9.008 1.00 0.00 C ATOM 1035 C SER A 67 -14.251 1.807 7.482 1.00 0.00 C ATOM 1036 O SER A 67 -13.323 1.392 6.817 1.00 0.00 O ATOM 1037 CB SER A 67 -13.522 2.855 9.630 1.00 0.00 C ATOM 1038 OG SER A 67 -14.394 3.978 9.642 1.00 0.00 O ATOM 0 H SER A 67 -12.565 0.510 9.646 1.00 0.00 H new ATOM 0 HA SER A 67 -15.274 1.626 9.368 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.206 2.615 10.645 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.621 3.085 9.061 1.00 0.00 H new ATOM 0 HG SER A 67 -13.934 4.745 10.042 1.00 0.00 H new ATOM 1044 N PRO A 68 -15.304 2.401 6.975 1.00 0.00 N ATOM 1045 CA PRO A 68 -15.474 2.628 5.529 1.00 0.00 C ATOM 1046 C PRO A 68 -14.650 3.838 5.078 1.00 0.00 C ATOM 1047 O PRO A 68 -15.111 4.961 5.125 1.00 0.00 O ATOM 1048 CB PRO A 68 -16.972 2.908 5.385 1.00 0.00 C ATOM 1049 CG PRO A 68 -17.464 3.385 6.773 1.00 0.00 C ATOM 1050 CD PRO A 68 -16.425 2.898 7.800 1.00 0.00 C ATOM 0 HA PRO A 68 -15.140 1.788 4.921 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -17.153 3.669 4.626 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -17.506 2.011 5.071 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -17.555 4.471 6.799 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -18.450 2.977 6.996 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -16.107 3.706 8.458 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -16.832 2.111 8.435 1.00 0.00 H new ATOM 1058 N GLY A 69 -13.436 3.626 4.642 1.00 0.00 N ATOM 1059 CA GLY A 69 -12.607 4.780 4.196 1.00 0.00 C ATOM 1060 C GLY A 69 -11.571 5.114 5.270 1.00 0.00 C ATOM 1061 O GLY A 69 -10.850 6.086 5.168 1.00 0.00 O ATOM 0 H GLY A 69 -12.988 2.712 4.576 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.108 4.541 3.257 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.242 5.646 4.008 1.00 0.00 H new ATOM 1065 N GLN A 70 -11.485 4.313 6.295 1.00 0.00 N ATOM 1066 CA GLN A 70 -10.488 4.586 7.368 1.00 0.00 C ATOM 1067 C GLN A 70 -9.606 3.350 7.558 1.00 0.00 C ATOM 1068 O GLN A 70 -10.011 2.371 8.153 1.00 0.00 O ATOM 1069 CB GLN A 70 -11.217 4.910 8.674 1.00 0.00 C ATOM 1070 CG GLN A 70 -10.665 6.214 9.254 1.00 0.00 C ATOM 1071 CD GLN A 70 -11.661 6.790 10.262 1.00 0.00 C ATOM 1072 OE1 GLN A 70 -12.351 7.747 9.972 1.00 0.00 O ATOM 1073 NE2 GLN A 70 -11.765 6.244 11.443 1.00 0.00 N ATOM 0 H GLN A 70 -12.060 3.483 6.436 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.867 5.436 7.087 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -12.288 5.004 8.492 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -11.086 4.097 9.388 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -9.706 6.031 9.739 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.485 6.932 8.454 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -11.186 5.441 11.686 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -12.426 6.621 12.123 1.00 0.00 H new ATOM 1082 N SER A 71 -8.407 3.384 7.044 1.00 0.00 N ATOM 1083 CA SER A 71 -7.502 2.209 7.178 1.00 0.00 C ATOM 1084 C SER A 71 -6.422 2.491 8.234 1.00 0.00 C ATOM 1085 O SER A 71 -6.676 2.458 9.422 1.00 0.00 O ATOM 1086 CB SER A 71 -6.824 1.952 5.841 1.00 0.00 C ATOM 1087 OG SER A 71 -6.330 3.189 5.331 1.00 0.00 O ATOM 0 H SER A 71 -8.015 4.177 6.536 1.00 0.00 H new ATOM 0 HA SER A 71 -8.086 1.341 7.482 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.007 1.241 5.963 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.530 1.509 5.139 1.00 0.00 H new ATOM 0 HG SER A 71 -5.387 3.088 5.084 1.00 0.00 H new ATOM 1093 N THR A 72 -5.215 2.767 7.800 1.00 0.00 N ATOM 1094 CA THR A 72 -4.109 3.050 8.748 1.00 0.00 C ATOM 1095 C THR A 72 -3.012 3.804 7.995 1.00 0.00 C ATOM 1096 O THR A 72 -2.829 3.621 6.808 1.00 0.00 O ATOM 1097 CB THR A 72 -3.545 1.731 9.279 1.00 0.00 C ATOM 1098 OG1 THR A 72 -4.476 1.149 10.181 1.00 0.00 O ATOM 1099 CG2 THR A 72 -2.222 1.993 9.998 1.00 0.00 C ATOM 0 H THR A 72 -4.953 2.807 6.815 1.00 0.00 H new ATOM 0 HA THR A 72 -4.472 3.647 9.584 1.00 0.00 H new ATOM 0 HB THR A 72 -3.372 1.047 8.448 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.260 1.731 10.262 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.821 1.053 10.376 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.511 2.437 9.301 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.389 2.677 10.830 1.00 0.00 H new ATOM 1107 N SER A 73 -2.282 4.648 8.664 1.00 0.00 N ATOM 1108 CA SER A 73 -1.206 5.403 7.965 1.00 0.00 C ATOM 1109 C SER A 73 0.133 4.702 8.187 1.00 0.00 C ATOM 1110 O SER A 73 0.724 4.790 9.245 1.00 0.00 O ATOM 1111 CB SER A 73 -1.141 6.825 8.521 1.00 0.00 C ATOM 1112 OG SER A 73 -1.351 6.789 9.926 1.00 0.00 O ATOM 0 H SER A 73 -2.382 4.848 9.659 1.00 0.00 H new ATOM 0 HA SER A 73 -1.420 5.442 6.897 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.172 7.271 8.298 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.897 7.449 8.044 1.00 0.00 H new ATOM 0 HG SER A 73 -0.741 6.138 10.331 1.00 0.00 H new ATOM 1118 N THR A 74 0.617 4.002 7.196 1.00 0.00 N ATOM 1119 CA THR A 74 1.918 3.295 7.353 1.00 0.00 C ATOM 1120 C THR A 74 3.062 4.300 7.242 1.00 0.00 C ATOM 1121 O THR A 74 3.421 4.729 6.163 1.00 0.00 O ATOM 1122 CB THR A 74 2.074 2.233 6.257 1.00 0.00 C ATOM 1123 OG1 THR A 74 1.015 1.291 6.355 1.00 0.00 O ATOM 1124 CG2 THR A 74 3.412 1.515 6.433 1.00 0.00 C ATOM 0 H THR A 74 0.168 3.890 6.287 1.00 0.00 H new ATOM 0 HA THR A 74 1.943 2.812 8.330 1.00 0.00 H new ATOM 0 HB THR A 74 2.043 2.713 5.279 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.554 1.226 5.492 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.525 0.760 5.655 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.225 2.237 6.358 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.442 1.035 7.411 1.00 0.00 H new ATOM 1132 N THR A 75 3.647 4.671 8.345 1.00 0.00 N ATOM 1133 CA THR A 75 4.777 5.635 8.293 1.00 0.00 C ATOM 1134 C THR A 75 6.034 4.876 7.880 1.00 0.00 C ATOM 1135 O THR A 75 6.733 4.314 8.700 1.00 0.00 O ATOM 1136 CB THR A 75 4.981 6.265 9.672 1.00 0.00 C ATOM 1137 OG1 THR A 75 3.738 6.755 10.155 1.00 0.00 O ATOM 1138 CG2 THR A 75 5.980 7.419 9.565 1.00 0.00 C ATOM 0 H THR A 75 3.392 4.349 9.278 1.00 0.00 H new ATOM 0 HA THR A 75 4.564 6.427 7.575 1.00 0.00 H new ATOM 0 HB THR A 75 5.369 5.515 10.361 1.00 0.00 H new ATOM 0 HG1 THR A 75 3.866 7.157 11.039 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.125 7.867 10.548 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.933 7.042 9.194 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.595 8.171 8.876 1.00 0.00 H new ATOM 1146 N PHE A 76 6.315 4.841 6.609 1.00 0.00 N ATOM 1147 CA PHE A 76 7.515 4.106 6.125 1.00 0.00 C ATOM 1148 C PHE A 76 8.703 4.399 7.049 1.00 0.00 C ATOM 1149 O PHE A 76 8.653 5.315 7.846 1.00 0.00 O ATOM 1150 CB PHE A 76 7.820 4.539 4.689 1.00 0.00 C ATOM 1151 CG PHE A 76 7.011 3.682 3.739 1.00 0.00 C ATOM 1152 CD1 PHE A 76 5.624 3.568 3.910 1.00 0.00 C ATOM 1153 CD2 PHE A 76 7.643 2.994 2.696 1.00 0.00 C ATOM 1154 CE1 PHE A 76 4.873 2.771 3.040 1.00 0.00 C ATOM 1155 CE2 PHE A 76 6.889 2.195 1.825 1.00 0.00 C ATOM 1156 CZ PHE A 76 5.504 2.084 1.999 1.00 0.00 C ATOM 0 H PHE A 76 5.762 5.292 5.880 1.00 0.00 H new ATOM 0 HA PHE A 76 7.329 3.032 6.136 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.573 5.592 4.552 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.885 4.432 4.481 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.135 4.096 4.715 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.711 3.079 2.562 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.805 2.686 3.173 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.376 1.665 1.020 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.923 1.468 1.329 1.00 0.00 H new ATOM 1166 N PRO A 77 9.730 3.597 6.928 1.00 0.00 N ATOM 1167 CA PRO A 77 10.941 3.730 7.760 1.00 0.00 C ATOM 1168 C PRO A 77 11.782 4.932 7.328 1.00 0.00 C ATOM 1169 O PRO A 77 11.499 5.584 6.343 1.00 0.00 O ATOM 1170 CB PRO A 77 11.690 2.416 7.519 1.00 0.00 C ATOM 1171 CG PRO A 77 11.170 1.856 6.176 1.00 0.00 C ATOM 1172 CD PRO A 77 9.787 2.492 5.946 1.00 0.00 C ATOM 0 HA PRO A 77 10.712 3.900 8.812 1.00 0.00 H new ATOM 0 HB2 PRO A 77 12.766 2.584 7.479 1.00 0.00 H new ATOM 0 HB3 PRO A 77 11.508 1.711 8.330 1.00 0.00 H new ATOM 0 HG2 PRO A 77 11.851 2.104 5.362 1.00 0.00 H new ATOM 0 HG3 PRO A 77 11.097 0.769 6.211 1.00 0.00 H new ATOM 0 HD2 PRO A 77 9.682 2.860 4.925 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.985 1.772 6.109 1.00 0.00 H new ATOM 1180 N ALA A 78 12.819 5.225 8.067 1.00 0.00 N ATOM 1181 CA ALA A 78 13.689 6.381 7.715 1.00 0.00 C ATOM 1182 C ALA A 78 14.662 5.970 6.608 1.00 0.00 C ATOM 1183 O ALA A 78 15.564 6.704 6.258 1.00 0.00 O ATOM 1184 CB ALA A 78 14.479 6.817 8.951 1.00 0.00 C ATOM 0 H ALA A 78 13.100 4.711 8.902 1.00 0.00 H new ATOM 0 HA ALA A 78 13.071 7.208 7.366 1.00 0.00 H new ATOM 0 HB1 ALA A 78 15.117 7.663 8.695 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.787 7.110 9.741 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.097 5.989 9.299 1.00 0.00 H new ATOM 1190 N ASP A 79 14.484 4.802 6.051 1.00 0.00 N ATOM 1191 CA ASP A 79 15.396 4.348 4.968 1.00 0.00 C ATOM 1192 C ASP A 79 14.725 4.586 3.614 1.00 0.00 C ATOM 1193 O ASP A 79 15.076 5.504 2.900 1.00 0.00 O ATOM 1194 CB ASP A 79 15.698 2.856 5.143 1.00 0.00 C ATOM 1195 CG ASP A 79 16.018 2.569 6.611 1.00 0.00 C ATOM 1196 OD1 ASP A 79 16.991 3.116 7.102 1.00 0.00 O ATOM 1197 OD2 ASP A 79 15.286 1.805 7.219 1.00 0.00 O ATOM 0 H ASP A 79 13.746 4.144 6.301 1.00 0.00 H new ATOM 0 HA ASP A 79 16.330 4.908 5.014 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.843 2.261 4.823 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.540 2.568 4.513 1.00 0.00 H new ATOM 1202 N ALA A 80 13.756 3.773 3.266 1.00 0.00 N ATOM 1203 CA ALA A 80 13.047 3.948 1.960 1.00 0.00 C ATOM 1204 C ALA A 80 14.027 4.446 0.892 1.00 0.00 C ATOM 1205 O ALA A 80 13.948 5.579 0.461 1.00 0.00 O ATOM 1206 CB ALA A 80 11.919 4.965 2.132 1.00 0.00 C ATOM 0 H ALA A 80 13.425 2.993 3.833 1.00 0.00 H new ATOM 0 HA ALA A 80 12.635 2.990 1.643 1.00 0.00 H new ATOM 0 HB1 ALA A 80 11.399 5.096 1.183 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.216 4.605 2.884 1.00 0.00 H new ATOM 0 HB3 ALA A 80 12.336 5.920 2.452 1.00 0.00 H new ATOM 1212 N PRO A 81 14.929 3.582 0.504 1.00 0.00 N ATOM 1213 CA PRO A 81 15.952 3.904 -0.508 1.00 0.00 C ATOM 1214 C PRO A 81 15.346 3.904 -1.913 1.00 0.00 C ATOM 1215 O PRO A 81 14.316 3.308 -2.157 1.00 0.00 O ATOM 1216 CB PRO A 81 16.980 2.780 -0.350 1.00 0.00 C ATOM 1217 CG PRO A 81 16.237 1.601 0.323 1.00 0.00 C ATOM 1218 CD PRO A 81 15.010 2.205 1.031 1.00 0.00 C ATOM 0 HA PRO A 81 16.387 4.894 -0.374 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.383 2.483 -1.318 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.823 3.107 0.259 1.00 0.00 H new ATOM 0 HG2 PRO A 81 15.933 0.861 -0.417 1.00 0.00 H new ATOM 0 HG3 PRO A 81 16.884 1.091 1.036 1.00 0.00 H new ATOM 0 HD2 PRO A 81 14.104 1.640 0.810 1.00 0.00 H new ATOM 0 HD3 PRO A 81 15.132 2.200 2.114 1.00 0.00 H new ATOM 1226 N ALA A 82 15.979 4.573 -2.838 1.00 0.00 N ATOM 1227 CA ALA A 82 15.445 4.619 -4.228 1.00 0.00 C ATOM 1228 C ALA A 82 15.109 3.202 -4.696 1.00 0.00 C ATOM 1229 O ALA A 82 15.969 2.458 -5.123 1.00 0.00 O ATOM 1230 CB ALA A 82 16.497 5.225 -5.158 1.00 0.00 C ATOM 0 H ALA A 82 16.845 5.091 -2.690 1.00 0.00 H new ATOM 0 HA ALA A 82 14.543 5.231 -4.249 1.00 0.00 H new ATOM 0 HB1 ALA A 82 16.107 5.259 -6.175 1.00 0.00 H new ATOM 0 HB2 ALA A 82 16.736 6.236 -4.827 1.00 0.00 H new ATOM 0 HB3 ALA A 82 17.399 4.613 -5.135 1.00 0.00 H new ATOM 1236 N GLY A 83 13.863 2.824 -4.621 1.00 0.00 N ATOM 1237 CA GLY A 83 13.471 1.457 -5.065 1.00 0.00 C ATOM 1238 C GLY A 83 11.950 1.378 -5.183 1.00 0.00 C ATOM 1239 O GLY A 83 11.226 2.052 -4.477 1.00 0.00 O ATOM 0 H GLY A 83 13.099 3.403 -4.271 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.934 1.228 -6.025 1.00 0.00 H new ATOM 0 HA3 GLY A 83 13.831 0.714 -4.353 1.00 0.00 H new ATOM 1243 N GLU A 84 11.457 0.561 -6.072 1.00 0.00 N ATOM 1244 CA GLU A 84 9.982 0.443 -6.235 1.00 0.00 C ATOM 1245 C GLU A 84 9.423 -0.501 -5.168 1.00 0.00 C ATOM 1246 O GLU A 84 10.008 -1.519 -4.856 1.00 0.00 O ATOM 1247 CB GLU A 84 9.664 -0.111 -7.625 1.00 0.00 C ATOM 1248 CG GLU A 84 9.597 1.041 -8.630 1.00 0.00 C ATOM 1249 CD GLU A 84 10.237 0.606 -9.949 1.00 0.00 C ATOM 1250 OE1 GLU A 84 11.068 -0.287 -9.916 1.00 0.00 O ATOM 1251 OE2 GLU A 84 9.886 1.173 -10.971 1.00 0.00 O ATOM 0 H GLU A 84 12.012 -0.029 -6.692 1.00 0.00 H new ATOM 0 HA GLU A 84 9.525 1.426 -6.124 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.429 -0.827 -7.927 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.715 -0.647 -7.606 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.560 1.333 -8.796 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.115 1.914 -8.233 1.00 0.00 H new ATOM 1258 N TYR A 85 8.288 -0.174 -4.615 1.00 0.00 N ATOM 1259 CA TYR A 85 7.680 -1.051 -3.575 1.00 0.00 C ATOM 1260 C TYR A 85 6.322 -1.535 -4.081 1.00 0.00 C ATOM 1261 O TYR A 85 5.646 -0.842 -4.815 1.00 0.00 O ATOM 1262 CB TYR A 85 7.501 -0.259 -2.277 1.00 0.00 C ATOM 1263 CG TYR A 85 8.837 0.289 -1.836 1.00 0.00 C ATOM 1264 CD1 TYR A 85 9.330 1.474 -2.397 1.00 0.00 C ATOM 1265 CD2 TYR A 85 9.584 -0.389 -0.865 1.00 0.00 C ATOM 1266 CE1 TYR A 85 10.571 1.979 -1.987 1.00 0.00 C ATOM 1267 CE2 TYR A 85 10.823 0.117 -0.455 1.00 0.00 C ATOM 1268 CZ TYR A 85 11.317 1.301 -1.016 1.00 0.00 C ATOM 1269 OH TYR A 85 12.539 1.799 -0.612 1.00 0.00 O ATOM 0 H TYR A 85 7.754 0.665 -4.839 1.00 0.00 H new ATOM 0 HA TYR A 85 8.327 -1.906 -3.379 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.794 0.556 -2.430 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.085 -0.901 -1.501 1.00 0.00 H new ATOM 0 HD1 TYR A 85 8.754 1.998 -3.145 1.00 0.00 H new ATOM 0 HD2 TYR A 85 9.204 -1.303 -0.432 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.952 2.892 -2.420 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.398 -0.406 0.295 1.00 0.00 H new ATOM 0 HH TYR A 85 12.953 2.290 -1.352 1.00 0.00 H new ATOM 1279 N THR A 86 5.917 -2.720 -3.715 1.00 0.00 N ATOM 1280 CA THR A 86 4.606 -3.226 -4.209 1.00 0.00 C ATOM 1281 C THR A 86 3.801 -3.845 -3.068 1.00 0.00 C ATOM 1282 O THR A 86 4.196 -4.828 -2.472 1.00 0.00 O ATOM 1283 CB THR A 86 4.843 -4.285 -5.288 1.00 0.00 C ATOM 1284 OG1 THR A 86 5.562 -3.705 -6.368 1.00 0.00 O ATOM 1285 CG2 THR A 86 3.497 -4.812 -5.789 1.00 0.00 C ATOM 0 H THR A 86 6.431 -3.353 -3.102 1.00 0.00 H new ATOM 0 HA THR A 86 4.044 -2.388 -4.622 1.00 0.00 H new ATOM 0 HB THR A 86 5.420 -5.110 -4.871 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.716 -4.382 -7.059 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.665 -5.566 -6.558 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.948 -5.256 -4.958 1.00 0.00 H new ATOM 0 HG23 THR A 86 2.918 -3.990 -6.208 1.00 0.00 H new ATOM 1293 N PHE A 87 2.655 -3.291 -2.785 1.00 0.00 N ATOM 1294 CA PHE A 87 1.793 -3.850 -1.715 1.00 0.00 C ATOM 1295 C PHE A 87 0.558 -4.470 -2.367 1.00 0.00 C ATOM 1296 O PHE A 87 0.344 -4.324 -3.554 1.00 0.00 O ATOM 1297 CB PHE A 87 1.382 -2.753 -0.729 1.00 0.00 C ATOM 1298 CG PHE A 87 1.350 -1.428 -1.439 1.00 0.00 C ATOM 1299 CD1 PHE A 87 2.550 -0.784 -1.756 1.00 0.00 C ATOM 1300 CD2 PHE A 87 0.129 -0.847 -1.786 1.00 0.00 C ATOM 1301 CE1 PHE A 87 2.531 0.442 -2.420 1.00 0.00 C ATOM 1302 CE2 PHE A 87 0.106 0.381 -2.451 1.00 0.00 C ATOM 1303 CZ PHE A 87 1.307 1.029 -2.770 1.00 0.00 C ATOM 0 H PHE A 87 2.279 -2.468 -3.255 1.00 0.00 H new ATOM 0 HA PHE A 87 2.341 -4.610 -1.158 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.402 -2.976 -0.308 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.085 -2.715 0.103 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.493 -1.237 -1.486 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -0.797 -1.346 -1.541 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.458 0.939 -2.664 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.838 0.832 -2.720 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.290 1.979 -3.284 1.00 0.00 H new ATOM 1313 N TYR A 88 -0.252 -5.170 -1.625 1.00 0.00 N ATOM 1314 CA TYR A 88 -1.447 -5.792 -2.252 1.00 0.00 C ATOM 1315 C TYR A 88 -2.505 -6.103 -1.194 1.00 0.00 C ATOM 1316 O TYR A 88 -2.469 -5.598 -0.089 1.00 0.00 O ATOM 1317 CB TYR A 88 -1.032 -7.087 -2.950 1.00 0.00 C ATOM 1318 CG TYR A 88 -0.484 -8.054 -1.929 1.00 0.00 C ATOM 1319 CD1 TYR A 88 0.770 -7.824 -1.350 1.00 0.00 C ATOM 1320 CD2 TYR A 88 -1.229 -9.179 -1.560 1.00 0.00 C ATOM 1321 CE1 TYR A 88 1.279 -8.721 -0.402 1.00 0.00 C ATOM 1322 CE2 TYR A 88 -0.721 -10.075 -0.612 1.00 0.00 C ATOM 1323 CZ TYR A 88 0.532 -9.846 -0.033 1.00 0.00 C ATOM 1324 OH TYR A 88 1.032 -10.729 0.902 1.00 0.00 O ATOM 0 H TYR A 88 -0.140 -5.337 -0.625 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.869 -5.096 -2.976 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.888 -7.528 -3.462 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.279 -6.878 -3.710 1.00 0.00 H new ATOM 0 HD1 TYR A 88 1.345 -6.955 -1.634 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.196 -9.356 -2.007 1.00 0.00 H new ATOM 0 HE1 TYR A 88 2.247 -8.545 0.044 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -1.297 -10.943 -0.327 1.00 0.00 H new ATOM 0 HH TYR A 88 0.388 -11.454 1.045 1.00 0.00 H new ATOM 1334 N CYS A 89 -3.453 -6.931 -1.536 1.00 0.00 N ATOM 1335 CA CYS A 89 -4.529 -7.284 -0.572 1.00 0.00 C ATOM 1336 C CYS A 89 -4.614 -8.805 -0.440 1.00 0.00 C ATOM 1337 O CYS A 89 -4.406 -9.534 -1.389 1.00 0.00 O ATOM 1338 CB CYS A 89 -5.860 -6.746 -1.096 1.00 0.00 C ATOM 1339 SG CYS A 89 -6.861 -6.127 0.278 1.00 0.00 S ATOM 0 H CYS A 89 -3.528 -7.380 -2.449 1.00 0.00 H new ATOM 0 HA CYS A 89 -4.310 -6.847 0.403 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -5.681 -5.947 -1.815 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -6.398 -7.534 -1.623 1.00 0.00 H new ATOM 0 HG CYS A 89 -8.118 -6.355 0.037 1.00 0.00 H new ATOM 1344 N GLU A 90 -4.922 -9.289 0.729 1.00 0.00 N ATOM 1345 CA GLU A 90 -5.027 -10.760 0.925 1.00 0.00 C ATOM 1346 C GLU A 90 -6.412 -11.268 0.483 1.00 0.00 C ATOM 1347 O GLU A 90 -6.502 -12.297 -0.156 1.00 0.00 O ATOM 1348 CB GLU A 90 -4.796 -11.101 2.399 1.00 0.00 C ATOM 1349 CG GLU A 90 -4.980 -12.605 2.612 1.00 0.00 C ATOM 1350 CD GLU A 90 -3.731 -13.348 2.133 1.00 0.00 C ATOM 1351 OE1 GLU A 90 -2.865 -12.706 1.562 1.00 0.00 O ATOM 1352 OE2 GLU A 90 -3.663 -14.548 2.345 1.00 0.00 O ATOM 0 H GLU A 90 -5.106 -8.727 1.560 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.267 -11.249 0.315 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -3.792 -10.801 2.699 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.495 -10.546 3.025 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.158 -12.814 3.667 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.856 -12.955 2.066 1.00 0.00 H new ATOM 1359 N PRO A 91 -7.459 -10.547 0.833 1.00 0.00 N ATOM 1360 CA PRO A 91 -8.833 -10.940 0.471 1.00 0.00 C ATOM 1361 C PRO A 91 -9.131 -10.594 -0.992 1.00 0.00 C ATOM 1362 O PRO A 91 -9.162 -11.458 -1.845 1.00 0.00 O ATOM 1363 CB PRO A 91 -9.708 -10.115 1.418 1.00 0.00 C ATOM 1364 CG PRO A 91 -8.852 -8.907 1.862 1.00 0.00 C ATOM 1365 CD PRO A 91 -7.382 -9.290 1.611 1.00 0.00 C ATOM 0 HA PRO A 91 -9.006 -12.012 0.565 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -10.617 -9.783 0.917 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -10.017 -10.709 2.278 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.121 -8.014 1.298 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -9.019 -8.681 2.915 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.857 -8.511 1.058 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -6.843 -9.434 2.547 1.00 0.00 H new ATOM 1373 N HIS A 92 -9.356 -9.342 -1.292 1.00 0.00 N ATOM 1374 CA HIS A 92 -9.656 -8.962 -2.703 1.00 0.00 C ATOM 1375 C HIS A 92 -8.429 -9.228 -3.576 1.00 0.00 C ATOM 1376 O HIS A 92 -7.790 -8.315 -4.061 1.00 0.00 O ATOM 1377 CB HIS A 92 -10.015 -7.477 -2.778 1.00 0.00 C ATOM 1378 CG HIS A 92 -10.936 -7.116 -1.646 1.00 0.00 C ATOM 1379 ND1 HIS A 92 -10.453 -6.773 -0.388 1.00 0.00 N ATOM 1380 CD2 HIS A 92 -12.305 -7.033 -1.566 1.00 0.00 C ATOM 1381 CE1 HIS A 92 -11.526 -6.505 0.384 1.00 0.00 C ATOM 1382 NE2 HIS A 92 -12.666 -6.650 -0.286 1.00 0.00 N ATOM 0 H HIS A 92 -9.345 -8.570 -0.625 1.00 0.00 H new ATOM 0 HA HIS A 92 -10.498 -9.556 -3.060 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -9.110 -6.872 -2.729 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -10.494 -7.257 -3.732 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -12.992 -7.235 -2.375 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -11.467 -6.209 1.421 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -13.611 -6.508 0.070 1.00 0.00 H new ATOM 1390 N ARG A 93 -8.095 -10.471 -3.786 1.00 0.00 N ATOM 1391 CA ARG A 93 -6.912 -10.790 -4.633 1.00 0.00 C ATOM 1392 C ARG A 93 -7.362 -10.945 -6.087 1.00 0.00 C ATOM 1393 O ARG A 93 -6.561 -10.938 -7.001 1.00 0.00 O ATOM 1394 CB ARG A 93 -6.273 -12.094 -4.151 1.00 0.00 C ATOM 1395 CG ARG A 93 -4.999 -12.366 -4.952 1.00 0.00 C ATOM 1396 CD ARG A 93 -3.873 -11.462 -4.446 1.00 0.00 C ATOM 1397 NE ARG A 93 -2.803 -11.377 -5.479 1.00 0.00 N ATOM 1398 CZ ARG A 93 -1.593 -11.028 -5.137 1.00 0.00 C ATOM 1399 NH1 ARG A 93 -1.304 -9.769 -4.950 1.00 0.00 N ATOM 1400 NH2 ARG A 93 -0.671 -11.938 -4.980 1.00 0.00 N ATOM 0 H ARG A 93 -8.590 -11.279 -3.408 1.00 0.00 H new ATOM 0 HA ARG A 93 -6.181 -9.984 -4.560 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -6.039 -12.026 -3.089 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.974 -12.920 -4.271 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -4.711 -13.413 -4.853 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -5.177 -12.183 -6.012 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -4.261 -10.467 -4.226 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -3.465 -11.857 -3.516 1.00 0.00 H new ATOM 0 HE ARG A 93 -3.016 -11.591 -6.453 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -2.024 -9.057 -5.071 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -0.358 -9.497 -4.683 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -0.896 -12.922 -5.125 1.00 0.00 H new ATOM 0 HH22 ARG A 93 0.275 -11.665 -4.713 1.00 0.00 H new ATOM 1414 N GLY A 94 -8.642 -11.083 -6.307 1.00 0.00 N ATOM 1415 CA GLY A 94 -9.148 -11.236 -7.700 1.00 0.00 C ATOM 1416 C GLY A 94 -9.377 -9.854 -8.317 1.00 0.00 C ATOM 1417 O GLY A 94 -9.819 -9.733 -9.443 1.00 0.00 O ATOM 0 H GLY A 94 -9.359 -11.096 -5.581 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.431 -11.798 -8.298 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -10.078 -11.804 -7.700 1.00 0.00 H new ATOM 1421 N ALA A 95 -9.081 -8.810 -7.590 1.00 0.00 N ATOM 1422 CA ALA A 95 -9.283 -7.439 -8.140 1.00 0.00 C ATOM 1423 C ALA A 95 -7.928 -6.751 -8.305 1.00 0.00 C ATOM 1424 O ALA A 95 -7.806 -5.551 -8.156 1.00 0.00 O ATOM 1425 CB ALA A 95 -10.159 -6.626 -7.184 1.00 0.00 C ATOM 0 H ALA A 95 -8.709 -8.847 -6.641 1.00 0.00 H new ATOM 0 HA ALA A 95 -9.775 -7.507 -9.110 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -10.305 -5.624 -7.588 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -11.126 -7.116 -7.070 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -9.670 -6.558 -6.212 1.00 0.00 H new ATOM 1431 N GLY A 96 -6.914 -7.506 -8.621 1.00 0.00 N ATOM 1432 CA GLY A 96 -5.558 -6.915 -8.809 1.00 0.00 C ATOM 1433 C GLY A 96 -5.296 -5.841 -7.750 1.00 0.00 C ATOM 1434 O GLY A 96 -4.666 -4.836 -8.018 1.00 0.00 O ATOM 0 H GLY A 96 -6.966 -8.515 -8.758 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.801 -7.696 -8.740 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.478 -6.480 -9.805 1.00 0.00 H new ATOM 1438 N MET A 97 -5.765 -6.041 -6.548 1.00 0.00 N ATOM 1439 CA MET A 97 -5.529 -5.025 -5.483 1.00 0.00 C ATOM 1440 C MET A 97 -4.030 -4.950 -5.183 1.00 0.00 C ATOM 1441 O MET A 97 -3.569 -5.411 -4.158 1.00 0.00 O ATOM 1442 CB MET A 97 -6.283 -5.425 -4.212 1.00 0.00 C ATOM 1443 CG MET A 97 -7.781 -5.185 -4.411 1.00 0.00 C ATOM 1444 SD MET A 97 -8.489 -4.466 -2.908 1.00 0.00 S ATOM 1445 CE MET A 97 -8.240 -2.721 -3.316 1.00 0.00 C ATOM 0 H MET A 97 -6.299 -6.860 -6.258 1.00 0.00 H new ATOM 0 HA MET A 97 -5.886 -4.053 -5.822 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.099 -6.475 -3.982 1.00 0.00 H new ATOM 0 HB3 MET A 97 -5.920 -4.845 -3.363 1.00 0.00 H new ATOM 0 HG2 MET A 97 -7.943 -4.516 -5.257 1.00 0.00 H new ATOM 0 HG3 MET A 97 -8.281 -6.124 -4.647 1.00 0.00 H new ATOM 0 HE1 MET A 97 -7.506 -2.289 -2.636 1.00 0.00 H new ATOM 0 HE2 MET A 97 -7.880 -2.635 -4.341 1.00 0.00 H new ATOM 0 HE3 MET A 97 -9.184 -2.186 -3.217 1.00 0.00 H new ATOM 1455 N VAL A 98 -3.265 -4.378 -6.072 1.00 0.00 N ATOM 1456 CA VAL A 98 -1.796 -4.280 -5.839 1.00 0.00 C ATOM 1457 C VAL A 98 -1.320 -2.856 -6.134 1.00 0.00 C ATOM 1458 O VAL A 98 -1.324 -2.411 -7.265 1.00 0.00 O ATOM 1459 CB VAL A 98 -1.068 -5.258 -6.763 1.00 0.00 C ATOM 1460 CG1 VAL A 98 0.443 -5.134 -6.552 1.00 0.00 C ATOM 1461 CG2 VAL A 98 -1.511 -6.688 -6.447 1.00 0.00 C ATOM 0 H VAL A 98 -3.593 -3.974 -6.949 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.579 -4.526 -4.799 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.310 -5.024 -7.800 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.961 -5.831 -7.211 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.760 -4.116 -6.780 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.686 -5.366 -5.515 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.992 -7.384 -7.106 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.271 -6.923 -5.410 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -2.587 -6.778 -6.600 1.00 0.00 H new ATOM 1471 N GLY A 99 -0.903 -2.139 -5.127 1.00 0.00 N ATOM 1472 CA GLY A 99 -0.421 -0.751 -5.348 1.00 0.00 C ATOM 1473 C GLY A 99 1.109 -0.743 -5.368 1.00 0.00 C ATOM 1474 O GLY A 99 1.743 -1.778 -5.312 1.00 0.00 O ATOM 0 H GLY A 99 -0.876 -2.458 -4.158 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.810 -0.364 -6.290 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -0.789 -0.096 -4.558 1.00 0.00 H new ATOM 1478 N LYS A 100 1.712 0.413 -5.451 1.00 0.00 N ATOM 1479 CA LYS A 100 3.202 0.471 -5.479 1.00 0.00 C ATOM 1480 C LYS A 100 3.680 1.857 -5.037 1.00 0.00 C ATOM 1481 O LYS A 100 3.059 2.861 -5.322 1.00 0.00 O ATOM 1482 CB LYS A 100 3.692 0.201 -6.903 1.00 0.00 C ATOM 1483 CG LYS A 100 3.785 -1.307 -7.138 1.00 0.00 C ATOM 1484 CD LYS A 100 4.437 -1.570 -8.495 1.00 0.00 C ATOM 1485 CE LYS A 100 5.912 -1.175 -8.439 1.00 0.00 C ATOM 1486 NZ LYS A 100 6.706 -2.107 -9.289 1.00 0.00 N ATOM 0 H LYS A 100 1.240 1.316 -5.500 1.00 0.00 H new ATOM 0 HA LYS A 100 3.602 -0.281 -4.799 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.009 0.650 -7.624 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.667 0.664 -7.056 1.00 0.00 H new ATOM 0 HG2 LYS A 100 4.369 -1.774 -6.345 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.791 -1.753 -7.107 1.00 0.00 H new ATOM 0 HD2 LYS A 100 4.342 -2.624 -8.758 1.00 0.00 H new ATOM 0 HD3 LYS A 100 3.927 -1.000 -9.272 1.00 0.00 H new ATOM 0 HE2 LYS A 100 6.039 -0.150 -8.787 1.00 0.00 H new ATOM 0 HE3 LYS A 100 6.270 -1.209 -7.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 7.710 -1.840 -9.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.593 -3.079 -8.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 6.369 -2.053 -10.271 1.00 0.00 H new ATOM 1500 N ILE A 101 4.790 1.917 -4.349 1.00 0.00 N ATOM 1501 CA ILE A 101 5.322 3.233 -3.896 1.00 0.00 C ATOM 1502 C ILE A 101 6.606 3.540 -4.679 1.00 0.00 C ATOM 1503 O ILE A 101 7.457 2.690 -4.854 1.00 0.00 O ATOM 1504 CB ILE A 101 5.606 3.175 -2.378 1.00 0.00 C ATOM 1505 CG1 ILE A 101 4.440 3.829 -1.626 1.00 0.00 C ATOM 1506 CG2 ILE A 101 6.908 3.913 -2.031 1.00 0.00 C ATOM 1507 CD1 ILE A 101 4.846 4.109 -0.175 1.00 0.00 C ATOM 0 H ILE A 101 5.351 1.108 -4.081 1.00 0.00 H new ATOM 0 HA ILE A 101 4.595 4.024 -4.080 1.00 0.00 H new ATOM 0 HB ILE A 101 5.713 2.131 -2.084 1.00 0.00 H new ATOM 0 HG12 ILE A 101 4.154 4.758 -2.118 1.00 0.00 H new ATOM 0 HG13 ILE A 101 3.568 3.175 -1.649 1.00 0.00 H new ATOM 0 HG21 ILE A 101 7.083 3.856 -0.957 1.00 0.00 H new ATOM 0 HG22 ILE A 101 7.741 3.449 -2.559 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.825 4.958 -2.330 1.00 0.00 H new ATOM 0 HD11 ILE A 101 4.013 4.573 0.353 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.110 3.172 0.316 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.704 4.781 -0.160 1.00 0.00 H new ATOM 1519 N THR A 102 6.752 4.749 -5.143 1.00 0.00 N ATOM 1520 CA THR A 102 7.980 5.110 -5.904 1.00 0.00 C ATOM 1521 C THR A 102 8.779 6.141 -5.105 1.00 0.00 C ATOM 1522 O THR A 102 8.522 7.326 -5.171 1.00 0.00 O ATOM 1523 CB THR A 102 7.586 5.701 -7.260 1.00 0.00 C ATOM 1524 OG1 THR A 102 6.492 4.968 -7.792 1.00 0.00 O ATOM 1525 CG2 THR A 102 8.774 5.618 -8.220 1.00 0.00 C ATOM 0 H THR A 102 6.074 5.503 -5.028 1.00 0.00 H new ATOM 0 HA THR A 102 8.589 4.220 -6.065 1.00 0.00 H new ATOM 0 HB THR A 102 7.298 6.745 -7.133 1.00 0.00 H new ATOM 0 HG1 THR A 102 5.666 5.236 -7.337 1.00 0.00 H new ATOM 0 HG21 THR A 102 8.492 6.039 -9.185 1.00 0.00 H new ATOM 0 HG22 THR A 102 9.613 6.180 -7.810 1.00 0.00 H new ATOM 0 HG23 THR A 102 9.065 4.576 -8.350 1.00 0.00 H new ATOM 1533 N VAL A 103 9.742 5.698 -4.344 1.00 0.00 N ATOM 1534 CA VAL A 103 10.550 6.652 -3.533 1.00 0.00 C ATOM 1535 C VAL A 103 11.879 6.936 -4.238 1.00 0.00 C ATOM 1536 O VAL A 103 12.631 6.035 -4.552 1.00 0.00 O ATOM 1537 CB VAL A 103 10.821 6.042 -2.157 1.00 0.00 C ATOM 1538 CG1 VAL A 103 11.143 7.155 -1.159 1.00 0.00 C ATOM 1539 CG2 VAL A 103 9.580 5.280 -1.684 1.00 0.00 C ATOM 0 H VAL A 103 10.004 4.717 -4.249 1.00 0.00 H new ATOM 0 HA VAL A 103 10.000 7.586 -3.418 1.00 0.00 H new ATOM 0 HB VAL A 103 11.667 5.358 -2.224 1.00 0.00 H new ATOM 0 HG11 VAL A 103 11.336 6.720 -0.178 1.00 0.00 H new ATOM 0 HG12 VAL A 103 12.025 7.700 -1.494 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.297 7.839 -1.092 1.00 0.00 H new ATOM 0 HG21 VAL A 103 9.772 4.845 -0.703 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.735 5.966 -1.618 1.00 0.00 H new ATOM 0 HG23 VAL A 103 9.348 4.486 -2.394 1.00 0.00 H new ATOM 1549 N ALA A 104 12.175 8.184 -4.485 1.00 0.00 N ATOM 1550 CA ALA A 104 13.457 8.525 -5.164 1.00 0.00 C ATOM 1551 C ALA A 104 14.610 8.379 -4.168 1.00 0.00 C ATOM 1552 O ALA A 104 14.574 7.548 -3.283 1.00 0.00 O ATOM 1553 CB ALA A 104 13.399 9.968 -5.672 1.00 0.00 C ATOM 0 H ALA A 104 11.585 8.981 -4.246 1.00 0.00 H new ATOM 0 HA ALA A 104 13.615 7.852 -6.007 1.00 0.00 H new ATOM 0 HB1 ALA A 104 14.337 10.217 -6.169 1.00 0.00 H new ATOM 0 HB2 ALA A 104 12.576 10.072 -6.379 1.00 0.00 H new ATOM 0 HB3 ALA A 104 13.243 10.644 -4.831 1.00 0.00 H new