USER MOD reduce.3.24.130724 H: found=0, std=0, add=999, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1000 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 70 LYS NZ :NH3+ -113:sc= -0.746 (180deg=-2.26!) USER MOD Set 1.2: A 71 THR OG1 : rot 80:sc= 1.24 USER MOD Set 2.1: A 56 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.0192 X(o=-0.019,f=-0.17) USER MOD Single : A 26 LYS NZ :NH3+ -154:sc= -1.2 (180deg=-1.92) USER MOD Single : A 31 ASN :FLIP amide:sc= -0.281 F(o=-1.2,f=-0.28) USER MOD Single : A 32 ASN : amide:sc= -0.0734 X(o=-0.073,f=0) USER MOD Single : A 44 ASN :FLIP amide:sc= -4.55! C(o=-5.6!,f=-4.5!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot -60:sc= -3.7! USER MOD Single : A 59 ASN :FLIP amide:sc= -3.56! C(o=-4.1!,f=-3.6!) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN :FLIP amide:sc= -2.63! C(o=-3.2!,f=-2.6!) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -68:sc= 0.486 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 157:sc= -0.0203 (180deg=-0.227) USER MOD Single : A 92 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0613) USER MOD Single : A 94 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 100 GLN :FLIP amide:sc= -0.168 F(o=-2.5!,f=-0.17) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= -2.19 USER MOD Single : A 109 LYS NZ :NH3+ -121:sc= -0.751 (180deg=-3.23!) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= -1.41 (180deg=-1.41) USER MOD Single : A 121 ASN : amide:sc= -0.0873 X(o=-0.087,f=-0.49) USER MOD Single : A 122 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0729) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 MET CE :methyl 173:sc= 0 (180deg=-0.00477) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -14.092 0.460 8.086 1.00 0.00 N ATOM 2 CA ALA A 2 -13.011 1.132 8.862 1.00 0.00 C ATOM 3 C ALA A 2 -12.833 2.563 8.349 1.00 0.00 C ATOM 4 O ALA A 2 -12.050 2.813 7.454 1.00 0.00 O ATOM 5 CB ALA A 2 -11.702 0.362 8.682 1.00 0.00 C ATOM 0 HA ALA A 2 -13.279 1.153 9.918 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.911 0.852 9.249 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.828 -0.659 9.043 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.433 0.343 7.626 1.00 0.00 H new ATOM 11 N ASP A 3 -13.553 3.502 8.906 1.00 0.00 N ATOM 12 CA ASP A 3 -13.434 4.920 8.447 1.00 0.00 C ATOM 13 C ASP A 3 -13.819 5.003 6.967 1.00 0.00 C ATOM 14 O ASP A 3 -13.345 4.244 6.150 1.00 0.00 O ATOM 15 CB ASP A 3 -11.999 5.426 8.638 1.00 0.00 C ATOM 16 CG ASP A 3 -11.956 6.397 9.820 1.00 0.00 C ATOM 17 OD1 ASP A 3 -12.347 5.997 10.904 1.00 0.00 O ATOM 18 OD2 ASP A 3 -11.533 7.524 9.621 1.00 0.00 O ATOM 0 H ASP A 3 -14.221 3.348 9.662 1.00 0.00 H new ATOM 0 HA ASP A 3 -14.103 5.544 9.039 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.327 4.587 8.818 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.653 5.923 7.732 1.00 0.00 H new ATOM 23 N LYS A 4 -14.689 5.906 6.615 1.00 0.00 N ATOM 24 CA LYS A 4 -15.102 6.014 5.188 1.00 0.00 C ATOM 25 C LYS A 4 -14.184 6.986 4.449 1.00 0.00 C ATOM 26 O LYS A 4 -14.563 7.562 3.448 1.00 0.00 O ATOM 27 CB LYS A 4 -16.546 6.519 5.089 1.00 0.00 C ATOM 28 CG LYS A 4 -17.480 5.655 5.950 1.00 0.00 C ATOM 29 CD LYS A 4 -17.900 4.402 5.172 1.00 0.00 C ATOM 30 CE LYS A 4 -19.265 4.632 4.520 1.00 0.00 C ATOM 31 NZ LYS A 4 -19.664 3.412 3.763 1.00 0.00 N ATOM 0 H LYS A 4 -15.131 6.571 7.249 1.00 0.00 H new ATOM 0 HA LYS A 4 -15.031 5.025 4.735 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.597 7.557 5.416 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.875 6.496 4.050 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.976 5.368 6.873 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -18.362 6.230 6.234 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -17.157 4.170 4.409 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -17.947 3.544 5.843 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -20.010 4.861 5.282 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -19.220 5.491 3.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -20.592 3.567 3.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -18.957 3.213 3.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -19.722 2.603 4.414 1.00 0.00 H new ATOM 45 N GLU A 5 -12.985 7.190 4.924 1.00 0.00 N ATOM 46 CA GLU A 5 -12.081 8.142 4.220 1.00 0.00 C ATOM 47 C GLU A 5 -10.626 7.922 4.642 1.00 0.00 C ATOM 48 O GLU A 5 -9.879 8.864 4.816 1.00 0.00 O ATOM 49 CB GLU A 5 -12.493 9.575 4.563 1.00 0.00 C ATOM 50 CG GLU A 5 -12.356 9.799 6.069 1.00 0.00 C ATOM 51 CD GLU A 5 -11.180 10.738 6.341 1.00 0.00 C ATOM 52 OE1 GLU A 5 -11.126 11.785 5.716 1.00 0.00 O ATOM 53 OE2 GLU A 5 -10.353 10.396 7.172 1.00 0.00 O ATOM 0 H GLU A 5 -12.597 6.746 5.756 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.163 7.972 3.146 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.867 10.284 4.021 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.522 9.754 4.250 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -13.276 10.226 6.469 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -12.200 8.847 6.576 1.00 0.00 H new ATOM 60 N LEU A 6 -10.202 6.696 4.786 1.00 0.00 N ATOM 61 CA LEU A 6 -8.790 6.456 5.169 1.00 0.00 C ATOM 62 C LEU A 6 -7.914 6.911 4.000 1.00 0.00 C ATOM 63 O LEU A 6 -8.205 6.628 2.860 1.00 0.00 O ATOM 64 CB LEU A 6 -8.609 4.965 5.461 1.00 0.00 C ATOM 65 CG LEU A 6 -7.171 4.649 5.893 1.00 0.00 C ATOM 66 CD1 LEU A 6 -6.821 5.410 7.169 1.00 0.00 C ATOM 67 CD2 LEU A 6 -7.068 3.153 6.165 1.00 0.00 C ATOM 0 H LEU A 6 -10.770 5.859 4.655 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.508 7.011 6.064 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.301 4.660 6.246 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -8.859 4.386 4.572 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.481 4.947 5.104 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.798 5.176 7.463 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.911 6.481 6.990 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.504 5.117 7.966 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.052 2.908 6.474 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.764 2.879 6.958 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.315 2.601 5.258 1.00 0.00 H new ATOM 79 N LYS A 7 -6.875 7.656 4.261 1.00 0.00 N ATOM 80 CA LYS A 7 -6.025 8.165 3.141 1.00 0.00 C ATOM 81 C LYS A 7 -5.139 7.057 2.567 1.00 0.00 C ATOM 82 O LYS A 7 -4.312 6.489 3.256 1.00 0.00 O ATOM 83 CB LYS A 7 -5.136 9.296 3.658 1.00 0.00 C ATOM 84 CG LYS A 7 -5.786 10.648 3.346 1.00 0.00 C ATOM 85 CD LYS A 7 -4.911 11.779 3.895 1.00 0.00 C ATOM 86 CE LYS A 7 -5.800 12.924 4.382 1.00 0.00 C ATOM 87 NZ LYS A 7 -4.956 14.117 4.674 1.00 0.00 N ATOM 0 H LYS A 7 -6.577 7.935 5.196 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.683 8.525 2.350 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.988 9.192 4.733 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.152 9.239 3.193 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.912 10.762 2.269 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.780 10.696 3.790 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.294 11.410 4.714 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.232 12.136 3.121 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.545 13.168 3.624 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.343 12.622 5.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.559 14.896 5.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.262 13.879 5.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.457 14.409 3.810 1.00 0.00 H new ATOM 101 N PHE A 8 -5.292 6.770 1.295 1.00 0.00 N ATOM 102 CA PHE A 8 -4.454 5.731 0.645 1.00 0.00 C ATOM 103 C PHE A 8 -3.484 6.405 -0.315 1.00 0.00 C ATOM 104 O PHE A 8 -3.808 7.405 -0.922 1.00 0.00 O ATOM 105 CB PHE A 8 -5.325 4.797 -0.201 1.00 0.00 C ATOM 106 CG PHE A 8 -6.252 3.984 0.662 1.00 0.00 C ATOM 107 CD1 PHE A 8 -7.431 4.548 1.143 1.00 0.00 C ATOM 108 CD2 PHE A 8 -5.931 2.661 0.971 1.00 0.00 C ATOM 109 CE1 PHE A 8 -8.294 3.790 1.942 1.00 0.00 C ATOM 110 CE2 PHE A 8 -6.792 1.897 1.772 1.00 0.00 C ATOM 111 CZ PHE A 8 -7.974 2.464 2.258 1.00 0.00 C ATOM 0 H PHE A 8 -5.970 7.220 0.680 1.00 0.00 H new ATOM 0 HA PHE A 8 -3.935 5.173 1.425 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -5.907 5.384 -0.912 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.689 4.131 -0.783 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.679 5.570 0.899 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.018 2.225 0.593 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.208 4.228 2.315 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.543 0.874 2.013 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.639 1.880 2.876 1.00 0.00 H new ATOM 121 N LEU A 9 -2.318 5.843 -0.487 1.00 0.00 N ATOM 122 CA LEU A 9 -1.344 6.426 -1.455 1.00 0.00 C ATOM 123 C LEU A 9 -0.989 5.359 -2.488 1.00 0.00 C ATOM 124 O LEU A 9 -0.461 4.318 -2.158 1.00 0.00 O ATOM 125 CB LEU A 9 -0.079 6.883 -0.730 1.00 0.00 C ATOM 126 CG LEU A 9 0.981 7.310 -1.752 1.00 0.00 C ATOM 127 CD1 LEU A 9 0.406 8.389 -2.669 1.00 0.00 C ATOM 128 CD2 LEU A 9 2.196 7.869 -1.024 1.00 0.00 C ATOM 0 H LEU A 9 -1.998 5.006 0.000 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.790 7.292 -1.944 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.311 7.714 -0.064 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.307 6.075 -0.109 1.00 0.00 H new ATOM 0 HG LEU A 9 1.275 6.444 -2.345 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.162 8.691 -3.394 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.464 7.995 -3.194 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.110 9.253 -2.074 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.949 8.172 -1.752 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.898 8.732 -0.429 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.612 7.103 -0.369 1.00 0.00 H new ATOM 140 N VAL A 10 -1.275 5.615 -3.736 1.00 0.00 N ATOM 141 CA VAL A 10 -0.963 4.622 -4.803 1.00 0.00 C ATOM 142 C VAL A 10 0.200 5.132 -5.662 1.00 0.00 C ATOM 143 O VAL A 10 0.042 6.008 -6.489 1.00 0.00 O ATOM 144 CB VAL A 10 -2.207 4.424 -5.671 1.00 0.00 C ATOM 145 CG1 VAL A 10 -2.442 2.931 -5.891 1.00 0.00 C ATOM 146 CG2 VAL A 10 -3.420 5.023 -4.953 1.00 0.00 C ATOM 0 H VAL A 10 -1.714 6.475 -4.064 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.675 3.672 -4.353 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.064 4.917 -6.633 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.328 2.789 -6.509 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.577 2.496 -6.392 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.589 2.440 -4.929 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.310 4.885 -5.566 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.559 4.523 -3.994 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.255 6.088 -4.787 1.00 0.00 H new ATOM 156 N VAL A 11 1.372 4.590 -5.466 1.00 0.00 N ATOM 157 CA VAL A 11 2.545 5.033 -6.256 1.00 0.00 C ATOM 158 C VAL A 11 2.704 4.132 -7.483 1.00 0.00 C ATOM 159 O VAL A 11 3.800 3.883 -7.946 1.00 0.00 O ATOM 160 CB VAL A 11 3.804 4.951 -5.389 1.00 0.00 C ATOM 161 CG1 VAL A 11 5.016 5.448 -6.180 1.00 0.00 C ATOM 162 CG2 VAL A 11 3.618 5.825 -4.148 1.00 0.00 C ATOM 0 H VAL A 11 1.563 3.854 -4.786 1.00 0.00 H new ATOM 0 HA VAL A 11 2.398 6.063 -6.582 1.00 0.00 H new ATOM 0 HB VAL A 11 3.970 3.915 -5.093 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.908 5.387 -5.556 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.150 4.829 -7.067 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.854 6.483 -6.481 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.512 5.770 -3.527 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.450 6.858 -4.452 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.759 5.471 -3.579 1.00 0.00 H new ATOM 172 N ASP A 12 1.617 3.636 -8.008 1.00 0.00 N ATOM 173 CA ASP A 12 1.700 2.747 -9.199 1.00 0.00 C ATOM 174 C ASP A 12 2.279 3.523 -10.384 1.00 0.00 C ATOM 175 O ASP A 12 2.221 4.737 -10.432 1.00 0.00 O ATOM 176 CB ASP A 12 0.301 2.242 -9.555 1.00 0.00 C ATOM 177 CG ASP A 12 0.410 0.885 -10.253 1.00 0.00 C ATOM 178 OD1 ASP A 12 0.726 0.871 -11.431 1.00 0.00 O ATOM 179 OD2 ASP A 12 0.174 -0.117 -9.597 1.00 0.00 O ATOM 0 H ASP A 12 0.673 3.809 -7.662 1.00 0.00 H new ATOM 0 HA ASP A 12 2.348 1.900 -8.973 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.305 2.151 -8.653 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -0.201 2.958 -10.206 1.00 0.00 H new ATOM 184 N ASP A 13 2.834 2.830 -11.341 1.00 0.00 N ATOM 185 CA ASP A 13 3.417 3.524 -12.526 1.00 0.00 C ATOM 186 C ASP A 13 2.381 3.568 -13.651 1.00 0.00 C ATOM 187 O ASP A 13 2.356 4.483 -14.449 1.00 0.00 O ATOM 188 CB ASP A 13 4.655 2.761 -13.003 1.00 0.00 C ATOM 189 CG ASP A 13 5.595 3.719 -13.735 1.00 0.00 C ATOM 190 OD1 ASP A 13 5.120 4.442 -14.595 1.00 0.00 O ATOM 191 OD2 ASP A 13 6.774 3.715 -13.422 1.00 0.00 O ATOM 0 H ASP A 13 2.909 1.813 -11.354 1.00 0.00 H new ATOM 0 HA ASP A 13 3.699 4.541 -12.251 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.168 2.311 -12.153 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.361 1.947 -13.665 1.00 0.00 H new ATOM 196 N PHE A 14 1.525 2.584 -13.722 1.00 0.00 N ATOM 197 CA PHE A 14 0.492 2.569 -14.796 1.00 0.00 C ATOM 198 C PHE A 14 -0.498 3.713 -14.567 1.00 0.00 C ATOM 199 O PHE A 14 -0.740 4.122 -13.449 1.00 0.00 O ATOM 200 CB PHE A 14 -0.254 1.235 -14.767 1.00 0.00 C ATOM 201 CG PHE A 14 0.068 0.449 -16.017 1.00 0.00 C ATOM 202 CD1 PHE A 14 -0.320 0.939 -17.269 1.00 0.00 C ATOM 203 CD2 PHE A 14 0.756 -0.768 -15.924 1.00 0.00 C ATOM 204 CE1 PHE A 14 -0.023 0.213 -18.428 1.00 0.00 C ATOM 205 CE2 PHE A 14 1.053 -1.494 -17.083 1.00 0.00 C ATOM 206 CZ PHE A 14 0.664 -1.004 -18.336 1.00 0.00 C ATOM 0 H PHE A 14 1.497 1.790 -13.082 1.00 0.00 H new ATOM 0 HA PHE A 14 0.974 2.694 -15.766 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.032 0.665 -13.883 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -1.328 1.408 -14.700 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.849 1.878 -17.341 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.057 -1.146 -14.958 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.324 0.591 -19.394 1.00 0.00 H new ATOM 0 HE2 PHE A 14 1.582 -2.433 -17.011 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.894 -1.564 -19.230 1.00 0.00 H new ATOM 216 N SER A 15 -1.072 4.234 -15.617 1.00 0.00 N ATOM 217 CA SER A 15 -2.045 5.350 -15.458 1.00 0.00 C ATOM 218 C SER A 15 -3.462 4.782 -15.350 1.00 0.00 C ATOM 219 O SER A 15 -4.350 5.403 -14.799 1.00 0.00 O ATOM 220 CB SER A 15 -1.960 6.277 -16.670 1.00 0.00 C ATOM 221 OG SER A 15 -3.265 6.719 -17.018 1.00 0.00 O ATOM 0 H SER A 15 -0.909 3.934 -16.578 1.00 0.00 H new ATOM 0 HA SER A 15 -1.808 5.911 -14.554 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.323 7.132 -16.444 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.505 5.754 -17.511 1.00 0.00 H new ATOM 0 HG SER A 15 -3.212 7.315 -17.794 1.00 0.00 H new ATOM 227 N THR A 16 -3.682 3.606 -15.872 1.00 0.00 N ATOM 228 CA THR A 16 -5.041 3.001 -15.798 1.00 0.00 C ATOM 229 C THR A 16 -5.143 2.122 -14.549 1.00 0.00 C ATOM 230 O THR A 16 -6.221 1.827 -14.072 1.00 0.00 O ATOM 231 CB THR A 16 -5.286 2.146 -17.043 1.00 0.00 C ATOM 232 OG1 THR A 16 -6.368 1.256 -16.800 1.00 0.00 O ATOM 233 CG2 THR A 16 -4.025 1.342 -17.369 1.00 0.00 C ATOM 0 H THR A 16 -2.979 3.039 -16.346 1.00 0.00 H new ATOM 0 HA THR A 16 -5.788 3.793 -15.746 1.00 0.00 H new ATOM 0 HB THR A 16 -5.530 2.793 -17.886 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.527 0.709 -17.597 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.201 0.733 -18.256 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.196 2.025 -17.556 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.779 0.694 -16.528 1.00 0.00 H new ATOM 241 N MET A 17 -4.029 1.702 -14.015 1.00 0.00 N ATOM 242 CA MET A 17 -4.064 0.844 -12.798 1.00 0.00 C ATOM 243 C MET A 17 -4.616 1.651 -11.622 1.00 0.00 C ATOM 244 O MET A 17 -5.539 1.235 -10.950 1.00 0.00 O ATOM 245 CB MET A 17 -2.647 0.368 -12.468 1.00 0.00 C ATOM 246 CG MET A 17 -2.679 -0.504 -11.212 1.00 0.00 C ATOM 247 SD MET A 17 -1.683 -1.990 -11.484 1.00 0.00 S ATOM 248 CE MET A 17 -3.057 -3.150 -11.685 1.00 0.00 C ATOM 0 H MET A 17 -3.097 1.916 -14.369 1.00 0.00 H new ATOM 0 HA MET A 17 -4.704 -0.019 -12.980 1.00 0.00 H new ATOM 0 HB2 MET A 17 -2.238 -0.197 -13.305 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.992 1.225 -12.312 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.293 0.054 -10.359 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.706 -0.780 -10.974 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.665 -4.151 -11.867 1.00 0.00 H new ATOM 0 HE2 MET A 17 -3.663 -3.157 -10.779 1.00 0.00 H new ATOM 0 HE3 MET A 17 -3.672 -2.842 -12.531 1.00 0.00 H new ATOM 258 N ARG A 18 -4.057 2.803 -11.367 1.00 0.00 N ATOM 259 CA ARG A 18 -4.548 3.638 -10.236 1.00 0.00 C ATOM 260 C ARG A 18 -6.057 3.762 -10.323 1.00 0.00 C ATOM 261 O ARG A 18 -6.747 3.874 -9.329 1.00 0.00 O ATOM 262 CB ARG A 18 -3.878 5.025 -10.307 1.00 0.00 C ATOM 263 CG ARG A 18 -4.826 6.148 -10.776 1.00 0.00 C ATOM 264 CD ARG A 18 -5.719 6.606 -9.619 1.00 0.00 C ATOM 265 NE ARG A 18 -7.115 6.784 -10.105 1.00 0.00 N ATOM 266 CZ ARG A 18 -7.467 7.900 -10.682 1.00 0.00 C ATOM 267 NH1 ARG A 18 -7.647 8.976 -9.965 1.00 0.00 N ATOM 268 NH2 ARG A 18 -7.638 7.943 -11.975 1.00 0.00 N ATOM 0 H ARG A 18 -3.280 3.202 -11.895 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.293 3.174 -9.283 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.486 5.280 -9.323 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.027 4.973 -10.986 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.245 6.990 -11.152 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.442 5.792 -11.602 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.694 5.871 -8.814 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.345 7.543 -9.206 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.796 6.034 -9.987 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.512 8.944 -8.954 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.922 9.849 -10.415 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.496 7.103 -12.536 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.913 8.816 -12.424 1.00 0.00 H new ATOM 282 N ARG A 19 -6.578 3.761 -11.509 1.00 0.00 N ATOM 283 CA ARG A 19 -8.034 3.911 -11.651 1.00 0.00 C ATOM 284 C ARG A 19 -8.739 2.652 -11.132 1.00 0.00 C ATOM 285 O ARG A 19 -9.763 2.726 -10.482 1.00 0.00 O ATOM 286 CB ARG A 19 -8.383 4.155 -13.126 1.00 0.00 C ATOM 287 CG ARG A 19 -9.763 3.566 -13.453 1.00 0.00 C ATOM 288 CD ARG A 19 -10.253 4.122 -14.793 1.00 0.00 C ATOM 289 NE ARG A 19 -10.762 3.005 -15.636 1.00 0.00 N ATOM 290 CZ ARG A 19 -10.332 2.863 -16.860 1.00 0.00 C ATOM 291 NH1 ARG A 19 -10.502 3.824 -17.726 1.00 0.00 N ATOM 292 NH2 ARG A 19 -9.731 1.762 -17.217 1.00 0.00 N ATOM 0 H ARG A 19 -6.058 3.663 -12.381 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.372 4.765 -11.064 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.378 5.225 -13.336 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.626 3.701 -13.766 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.704 2.479 -13.498 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.472 3.814 -12.663 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.042 4.856 -14.628 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.440 4.637 -15.305 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.447 2.351 -15.257 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.971 4.686 -17.446 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -10.166 3.714 -18.683 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.597 1.011 -16.539 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.395 1.651 -18.174 1.00 0.00 H new ATOM 306 N ILE A 20 -8.202 1.500 -11.421 1.00 0.00 N ATOM 307 CA ILE A 20 -8.841 0.236 -10.954 1.00 0.00 C ATOM 308 C ILE A 20 -8.964 0.250 -9.427 1.00 0.00 C ATOM 309 O ILE A 20 -10.041 0.112 -8.880 1.00 0.00 O ATOM 310 CB ILE A 20 -7.978 -0.954 -11.391 1.00 0.00 C ATOM 311 CG1 ILE A 20 -8.415 -1.411 -12.786 1.00 0.00 C ATOM 312 CG2 ILE A 20 -8.138 -2.117 -10.403 1.00 0.00 C ATOM 313 CD1 ILE A 20 -7.378 -2.378 -13.359 1.00 0.00 C ATOM 0 H ILE A 20 -7.346 1.378 -11.962 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.836 0.148 -11.390 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.933 -0.646 -11.411 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.389 -1.897 -12.732 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.525 -0.549 -13.444 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -7.520 -2.955 -10.725 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.825 -1.796 -9.409 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.183 -2.427 -10.372 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.692 -2.702 -14.352 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.413 -1.877 -13.429 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -7.290 -3.246 -12.706 1.00 0.00 H new ATOM 325 N VAL A 21 -7.869 0.393 -8.737 1.00 0.00 N ATOM 326 CA VAL A 21 -7.918 0.392 -7.247 1.00 0.00 C ATOM 327 C VAL A 21 -8.808 1.532 -6.746 1.00 0.00 C ATOM 328 O VAL A 21 -9.537 1.380 -5.784 1.00 0.00 O ATOM 329 CB VAL A 21 -6.505 0.550 -6.684 1.00 0.00 C ATOM 330 CG1 VAL A 21 -6.093 -0.750 -5.995 1.00 0.00 C ATOM 331 CG2 VAL A 21 -5.524 0.846 -7.821 1.00 0.00 C ATOM 0 H VAL A 21 -6.939 0.511 -9.140 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.337 -0.555 -6.908 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.490 1.373 -5.970 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.086 -0.644 -5.591 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.788 -0.968 -5.184 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.110 -1.566 -6.717 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.519 0.958 -7.414 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.537 0.023 -8.536 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.817 1.768 -8.323 1.00 0.00 H new ATOM 341 N ARG A 22 -8.763 2.671 -7.381 1.00 0.00 N ATOM 342 CA ARG A 22 -9.617 3.806 -6.926 1.00 0.00 C ATOM 343 C ARG A 22 -11.046 3.308 -6.720 1.00 0.00 C ATOM 344 O ARG A 22 -11.639 3.487 -5.675 1.00 0.00 O ATOM 345 CB ARG A 22 -9.622 4.897 -7.997 1.00 0.00 C ATOM 346 CG ARG A 22 -8.803 6.102 -7.519 1.00 0.00 C ATOM 347 CD ARG A 22 -9.488 6.761 -6.316 1.00 0.00 C ATOM 348 NE ARG A 22 -9.630 8.223 -6.565 1.00 0.00 N ATOM 349 CZ ARG A 22 -8.576 8.993 -6.547 1.00 0.00 C ATOM 350 NH1 ARG A 22 -7.427 8.536 -6.965 1.00 0.00 N ATOM 351 NH2 ARG A 22 -8.672 10.219 -6.112 1.00 0.00 N ATOM 0 H ARG A 22 -8.175 2.865 -8.192 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.224 4.207 -5.992 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.205 4.508 -8.926 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.646 5.204 -8.211 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.798 5.782 -7.245 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.698 6.824 -8.328 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -10.468 6.312 -6.151 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.903 6.590 -5.412 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.550 8.622 -6.749 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.353 7.577 -7.306 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.603 9.137 -6.951 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.570 10.576 -5.786 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.849 10.821 -6.098 1.00 0.00 H new ATOM 365 N ASN A 23 -11.596 2.676 -7.716 1.00 0.00 N ATOM 366 CA ASN A 23 -12.972 2.150 -7.618 1.00 0.00 C ATOM 367 C ASN A 23 -13.019 1.071 -6.548 1.00 0.00 C ATOM 368 O ASN A 23 -13.778 1.140 -5.604 1.00 0.00 O ATOM 369 CB ASN A 23 -13.301 1.515 -8.955 1.00 0.00 C ATOM 370 CG ASN A 23 -14.700 1.937 -9.408 1.00 0.00 C ATOM 371 OD1 ASN A 23 -15.014 3.110 -9.435 1.00 0.00 O ATOM 372 ND2 ASN A 23 -15.559 1.022 -9.767 1.00 0.00 N ATOM 0 H ASN A 23 -11.136 2.501 -8.609 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.675 2.944 -7.367 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.564 1.814 -9.700 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.249 0.429 -8.873 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -16.495 1.292 -10.070 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -15.295 0.037 -9.744 1.00 0.00 H new ATOM 379 N LEU A 24 -12.201 0.074 -6.714 1.00 0.00 N ATOM 380 CA LEU A 24 -12.145 -1.056 -5.744 1.00 0.00 C ATOM 381 C LEU A 24 -12.271 -0.517 -4.312 1.00 0.00 C ATOM 382 O LEU A 24 -13.108 -0.954 -3.547 1.00 0.00 O ATOM 383 CB LEU A 24 -10.799 -1.759 -5.929 1.00 0.00 C ATOM 384 CG LEU A 24 -10.822 -3.184 -5.323 1.00 0.00 C ATOM 385 CD1 LEU A 24 -10.649 -4.233 -6.431 1.00 0.00 C ATOM 386 CD2 LEU A 24 -9.685 -3.364 -4.306 1.00 0.00 C ATOM 0 H LEU A 24 -11.554 -0.009 -7.498 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.963 -1.755 -5.917 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.559 -1.817 -6.991 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.012 -1.173 -5.456 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.782 -3.317 -4.824 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.667 -5.231 -5.993 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.461 -4.138 -7.152 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.696 -4.075 -6.936 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.722 -4.372 -3.894 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.726 -3.209 -4.801 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.799 -2.639 -3.500 1.00 0.00 H new ATOM 398 N LEU A 25 -11.458 0.441 -3.949 1.00 0.00 N ATOM 399 CA LEU A 25 -11.547 1.021 -2.574 1.00 0.00 C ATOM 400 C LEU A 25 -12.914 1.683 -2.406 1.00 0.00 C ATOM 401 O LEU A 25 -13.588 1.496 -1.413 1.00 0.00 O ATOM 402 CB LEU A 25 -10.445 2.071 -2.392 1.00 0.00 C ATOM 403 CG LEU A 25 -9.117 1.388 -2.040 1.00 0.00 C ATOM 404 CD1 LEU A 25 -7.999 2.433 -2.037 1.00 0.00 C ATOM 405 CD2 LEU A 25 -9.198 0.738 -0.651 1.00 0.00 C ATOM 0 H LEU A 25 -10.736 0.847 -4.544 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.422 0.235 -1.830 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.332 2.653 -3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.724 2.769 -1.603 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.911 0.616 -2.782 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.053 1.953 -1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.925 2.889 -3.024 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.222 3.202 -1.297 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.247 0.258 -0.418 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.412 1.502 0.096 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.992 -0.008 -0.644 1.00 0.00 H new ATOM 417 N LYS A 26 -13.329 2.454 -3.372 1.00 0.00 N ATOM 418 CA LYS A 26 -14.648 3.124 -3.274 1.00 0.00 C ATOM 419 C LYS A 26 -15.741 2.070 -3.078 1.00 0.00 C ATOM 420 O LYS A 26 -16.736 2.308 -2.422 1.00 0.00 O ATOM 421 CB LYS A 26 -14.919 3.908 -4.560 1.00 0.00 C ATOM 422 CG LYS A 26 -15.968 4.988 -4.288 1.00 0.00 C ATOM 423 CD LYS A 26 -16.477 5.555 -5.615 1.00 0.00 C ATOM 424 CE LYS A 26 -15.300 6.092 -6.434 1.00 0.00 C ATOM 425 NZ LYS A 26 -14.355 6.813 -5.537 1.00 0.00 N ATOM 0 H LYS A 26 -12.807 2.647 -4.227 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.647 3.808 -2.426 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -13.997 4.364 -4.921 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -15.269 3.234 -5.342 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -16.797 4.569 -3.718 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -15.536 5.785 -3.682 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -16.999 4.780 -6.176 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -17.196 6.352 -5.428 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -14.787 5.271 -6.934 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -15.662 6.763 -7.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.829 7.523 -6.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -14.888 7.285 -4.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -13.687 6.134 -5.119 1.00 0.00 H new ATOM 439 N GLU A 27 -15.564 0.906 -3.644 1.00 0.00 N ATOM 440 CA GLU A 27 -16.589 -0.157 -3.493 1.00 0.00 C ATOM 441 C GLU A 27 -16.843 -0.409 -2.008 1.00 0.00 C ATOM 442 O GLU A 27 -17.969 -0.571 -1.579 1.00 0.00 O ATOM 443 CB GLU A 27 -16.095 -1.446 -4.156 1.00 0.00 C ATOM 444 CG GLU A 27 -17.294 -2.249 -4.663 1.00 0.00 C ATOM 445 CD GLU A 27 -16.930 -3.735 -4.715 1.00 0.00 C ATOM 446 OE1 GLU A 27 -15.768 -4.032 -4.937 1.00 0.00 O ATOM 447 OE2 GLU A 27 -17.819 -4.550 -4.533 1.00 0.00 O ATOM 0 H GLU A 27 -14.751 0.649 -4.204 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.515 0.161 -3.972 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.426 -1.209 -4.983 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.522 -2.038 -3.443 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -18.151 -2.097 -4.007 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -17.586 -1.900 -5.654 1.00 0.00 H new ATOM 454 N LEU A 28 -15.806 -0.441 -1.222 1.00 0.00 N ATOM 455 CA LEU A 28 -15.986 -0.679 0.237 1.00 0.00 C ATOM 456 C LEU A 28 -16.522 0.591 0.893 1.00 0.00 C ATOM 457 O LEU A 28 -17.544 0.581 1.550 1.00 0.00 O ATOM 458 CB LEU A 28 -14.638 -1.045 0.868 1.00 0.00 C ATOM 459 CG LEU A 28 -14.523 -2.565 1.022 1.00 0.00 C ATOM 460 CD1 LEU A 28 -14.520 -3.226 -0.359 1.00 0.00 C ATOM 461 CD2 LEU A 28 -13.218 -2.899 1.746 1.00 0.00 C ATOM 0 H LEU A 28 -14.841 -0.313 -1.526 1.00 0.00 H new ATOM 0 HA LEU A 28 -16.691 -1.497 0.387 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.824 -0.672 0.247 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.541 -0.565 1.842 1.00 0.00 H new ATOM 0 HG LEU A 28 -15.371 -2.937 1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -14.438 -4.307 -0.245 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -15.447 -2.985 -0.880 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.673 -2.857 -0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.131 -3.980 1.859 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.374 -2.525 1.166 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.218 -2.431 2.730 1.00 0.00 H new ATOM 473 N GLY A 29 -15.835 1.684 0.723 1.00 0.00 N ATOM 474 CA GLY A 29 -16.290 2.951 1.333 1.00 0.00 C ATOM 475 C GLY A 29 -15.080 3.839 1.624 1.00 0.00 C ATOM 476 O GLY A 29 -14.631 3.940 2.744 1.00 0.00 O ATOM 0 H GLY A 29 -14.972 1.749 0.183 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.978 3.464 0.661 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.836 2.748 2.254 1.00 0.00 H new ATOM 480 N PHE A 30 -14.550 4.481 0.624 1.00 0.00 N ATOM 481 CA PHE A 30 -13.372 5.367 0.852 1.00 0.00 C ATOM 482 C PHE A 30 -13.396 6.511 -0.168 1.00 0.00 C ATOM 483 O PHE A 30 -13.847 6.348 -1.284 1.00 0.00 O ATOM 484 CB PHE A 30 -12.076 4.561 0.689 1.00 0.00 C ATOM 485 CG PHE A 30 -11.857 3.684 1.900 1.00 0.00 C ATOM 486 CD1 PHE A 30 -11.628 4.268 3.147 1.00 0.00 C ATOM 487 CD2 PHE A 30 -11.877 2.288 1.774 1.00 0.00 C ATOM 488 CE1 PHE A 30 -11.418 3.460 4.272 1.00 0.00 C ATOM 489 CE2 PHE A 30 -11.667 1.480 2.898 1.00 0.00 C ATOM 490 CZ PHE A 30 -11.437 2.067 4.147 1.00 0.00 C ATOM 0 H PHE A 30 -14.879 4.433 -0.340 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.415 5.774 1.862 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -12.131 3.947 -0.210 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.231 5.238 0.562 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.613 5.343 3.245 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.054 1.836 0.810 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.241 3.913 5.236 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.683 0.404 2.801 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.274 1.445 5.014 1.00 0.00 H new ATOM 500 N ASN A 31 -12.920 7.670 0.206 1.00 0.00 N ATOM 501 CA ASN A 31 -12.929 8.816 -0.749 1.00 0.00 C ATOM 502 C ASN A 31 -11.752 9.757 -0.456 1.00 0.00 C ATOM 503 O ASN A 31 -11.937 10.928 -0.188 1.00 0.00 O ATOM 504 CB ASN A 31 -14.242 9.586 -0.600 1.00 0.00 C ATOM 505 CG ASN A 31 -14.329 10.666 -1.680 1.00 0.00 C ATOM 506 OD1 ASN A 31 -13.847 10.424 -2.869 1.00 0.00 O flip ATOM 507 ND2 ASN A 31 -14.841 11.742 -1.440 1.00 0.00 N flip ATOM 0 H ASN A 31 -12.528 7.871 1.126 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.835 8.435 -1.766 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.087 8.903 -0.685 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.298 10.041 0.389 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -15.218 11.932 -0.511 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -14.894 12.455 -2.167 1.00 0.00 H new ATOM 514 N ASN A 32 -10.546 9.260 -0.508 1.00 0.00 N ATOM 515 CA ASN A 32 -9.366 10.132 -0.238 1.00 0.00 C ATOM 516 C ASN A 32 -8.085 9.378 -0.617 1.00 0.00 C ATOM 517 O ASN A 32 -7.537 8.628 0.165 1.00 0.00 O ATOM 518 CB ASN A 32 -9.341 10.503 1.250 1.00 0.00 C ATOM 519 CG ASN A 32 -9.200 12.019 1.396 1.00 0.00 C ATOM 520 OD1 ASN A 32 -9.948 12.643 2.122 1.00 0.00 O ATOM 521 ND2 ASN A 32 -8.266 12.643 0.732 1.00 0.00 N ATOM 0 H ASN A 32 -10.326 8.288 -0.726 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.432 11.044 -0.831 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.256 10.164 1.736 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.511 10.000 1.747 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.164 13.654 0.823 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.638 12.120 0.122 1.00 0.00 H new ATOM 528 N VAL A 33 -7.616 9.564 -1.827 1.00 0.00 N ATOM 529 CA VAL A 33 -6.384 8.849 -2.281 1.00 0.00 C ATOM 530 C VAL A 33 -5.490 9.801 -3.084 1.00 0.00 C ATOM 531 O VAL A 33 -5.974 10.705 -3.735 1.00 0.00 O ATOM 532 CB VAL A 33 -6.793 7.690 -3.195 1.00 0.00 C ATOM 533 CG1 VAL A 33 -5.546 6.954 -3.685 1.00 0.00 C ATOM 534 CG2 VAL A 33 -7.695 6.717 -2.435 1.00 0.00 C ATOM 0 H VAL A 33 -8.035 10.182 -2.521 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.842 8.483 -1.409 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.338 8.089 -4.050 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.841 6.130 -4.335 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.911 7.644 -4.240 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.995 6.562 -2.830 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -7.981 5.896 -3.093 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.158 6.321 -1.573 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -8.590 7.239 -2.097 1.00 0.00 H new ATOM 544 N GLU A 34 -4.193 9.582 -3.069 1.00 0.00 N ATOM 545 CA GLU A 34 -3.272 10.446 -3.861 1.00 0.00 C ATOM 546 C GLU A 34 -2.435 9.533 -4.753 1.00 0.00 C ATOM 547 O GLU A 34 -2.702 8.354 -4.853 1.00 0.00 O ATOM 548 CB GLU A 34 -2.367 11.251 -2.920 1.00 0.00 C ATOM 549 CG GLU A 34 -3.168 12.379 -2.245 1.00 0.00 C ATOM 550 CD GLU A 34 -2.261 13.595 -2.038 1.00 0.00 C ATOM 551 OE1 GLU A 34 -1.596 13.982 -2.984 1.00 0.00 O ATOM 552 OE2 GLU A 34 -2.247 14.117 -0.935 1.00 0.00 O ATOM 0 H GLU A 34 -3.738 8.839 -2.539 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.836 11.154 -4.468 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.942 10.593 -2.162 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.532 11.673 -3.480 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.024 12.651 -2.862 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.561 12.038 -1.287 1.00 0.00 H new ATOM 559 N GLU A 35 -1.445 10.054 -5.420 1.00 0.00 N ATOM 560 CA GLU A 35 -0.636 9.178 -6.313 1.00 0.00 C ATOM 561 C GLU A 35 0.802 9.683 -6.414 1.00 0.00 C ATOM 562 O GLU A 35 1.087 10.845 -6.201 1.00 0.00 O ATOM 563 CB GLU A 35 -1.267 9.167 -7.709 1.00 0.00 C ATOM 564 CG GLU A 35 -1.275 7.741 -8.266 1.00 0.00 C ATOM 565 CD GLU A 35 -1.949 7.731 -9.639 1.00 0.00 C ATOM 566 OE1 GLU A 35 -2.899 8.477 -9.817 1.00 0.00 O ATOM 567 OE2 GLU A 35 -1.506 6.977 -10.490 1.00 0.00 O ATOM 0 H GLU A 35 -1.163 11.034 -5.388 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.621 8.171 -5.896 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.285 9.553 -7.660 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.708 9.824 -8.375 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.255 7.366 -8.348 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.806 7.076 -7.584 1.00 0.00 H new ATOM 574 N ALA A 36 1.705 8.807 -6.759 1.00 0.00 N ATOM 575 CA ALA A 36 3.132 9.206 -6.905 1.00 0.00 C ATOM 576 C ALA A 36 3.720 8.463 -8.105 1.00 0.00 C ATOM 577 O ALA A 36 2.999 7.863 -8.876 1.00 0.00 O ATOM 578 CB ALA A 36 3.902 8.844 -5.636 1.00 0.00 C ATOM 0 H ALA A 36 1.513 7.823 -6.948 1.00 0.00 H new ATOM 0 HA ALA A 36 3.208 10.282 -7.061 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.946 9.138 -5.747 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.467 9.367 -4.785 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.844 7.768 -5.469 1.00 0.00 H new ATOM 584 N GLU A 37 5.015 8.502 -8.275 1.00 0.00 N ATOM 585 CA GLU A 37 5.634 7.798 -9.439 1.00 0.00 C ATOM 586 C GLU A 37 6.924 7.093 -9.014 1.00 0.00 C ATOM 587 O GLU A 37 7.579 6.462 -9.818 1.00 0.00 O ATOM 588 CB GLU A 37 5.952 8.814 -10.540 1.00 0.00 C ATOM 589 CG GLU A 37 6.642 10.036 -9.932 1.00 0.00 C ATOM 590 CD GLU A 37 7.809 10.460 -10.827 1.00 0.00 C ATOM 591 OE1 GLU A 37 8.734 9.679 -10.971 1.00 0.00 O ATOM 592 OE2 GLU A 37 7.755 11.560 -11.354 1.00 0.00 O ATOM 0 H GLU A 37 5.669 8.988 -7.662 1.00 0.00 H new ATOM 0 HA GLU A 37 4.931 7.054 -9.812 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.595 8.359 -11.293 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.035 9.116 -11.045 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.931 10.856 -9.831 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.004 9.802 -8.931 1.00 0.00 H new ATOM 599 N ASP A 38 7.297 7.183 -7.763 1.00 0.00 N ATOM 600 CA ASP A 38 8.547 6.504 -7.317 1.00 0.00 C ATOM 601 C ASP A 38 8.684 6.637 -5.801 1.00 0.00 C ATOM 602 O ASP A 38 7.903 7.303 -5.152 1.00 0.00 O ATOM 603 CB ASP A 38 9.760 7.155 -7.996 1.00 0.00 C ATOM 604 CG ASP A 38 11.047 6.530 -7.457 1.00 0.00 C ATOM 605 OD1 ASP A 38 11.528 6.996 -6.437 1.00 0.00 O ATOM 606 OD2 ASP A 38 11.530 5.596 -8.073 1.00 0.00 O ATOM 0 H ASP A 38 6.794 7.693 -7.037 1.00 0.00 H new ATOM 0 HA ASP A 38 8.502 5.450 -7.590 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.702 7.018 -9.076 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.760 8.229 -7.811 1.00 0.00 H new ATOM 611 N GLY A 39 9.674 6.009 -5.233 1.00 0.00 N ATOM 612 CA GLY A 39 9.867 6.097 -3.761 1.00 0.00 C ATOM 613 C GLY A 39 10.069 7.554 -3.358 1.00 0.00 C ATOM 614 O GLY A 39 9.343 8.092 -2.546 1.00 0.00 O ATOM 0 H GLY A 39 10.359 5.437 -5.727 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.001 5.683 -3.245 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.730 5.503 -3.461 1.00 0.00 H new ATOM 618 N VAL A 40 11.052 8.198 -3.920 1.00 0.00 N ATOM 619 CA VAL A 40 11.299 9.620 -3.570 1.00 0.00 C ATOM 620 C VAL A 40 9.989 10.388 -3.709 1.00 0.00 C ATOM 621 O VAL A 40 9.760 11.374 -3.037 1.00 0.00 O ATOM 622 CB VAL A 40 12.347 10.208 -4.519 1.00 0.00 C ATOM 623 CG1 VAL A 40 11.810 10.182 -5.951 1.00 0.00 C ATOM 624 CG2 VAL A 40 12.650 11.653 -4.116 1.00 0.00 C ATOM 0 H VAL A 40 11.694 7.800 -4.606 1.00 0.00 H new ATOM 0 HA VAL A 40 11.668 9.695 -2.547 1.00 0.00 H new ATOM 0 HB VAL A 40 13.260 9.616 -4.461 1.00 0.00 H new ATOM 0 HG11 VAL A 40 12.556 10.601 -6.627 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.595 9.153 -6.240 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.896 10.774 -6.008 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.396 12.070 -4.792 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.737 12.246 -4.173 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.033 11.673 -3.096 1.00 0.00 H new ATOM 634 N ASP A 41 9.122 9.938 -4.573 1.00 0.00 N ATOM 635 CA ASP A 41 7.824 10.635 -4.754 1.00 0.00 C ATOM 636 C ASP A 41 6.905 10.293 -3.584 1.00 0.00 C ATOM 637 O ASP A 41 6.285 11.155 -2.994 1.00 0.00 O ATOM 638 CB ASP A 41 7.182 10.162 -6.057 1.00 0.00 C ATOM 639 CG ASP A 41 6.128 11.174 -6.517 1.00 0.00 C ATOM 640 OD1 ASP A 41 5.957 12.176 -5.842 1.00 0.00 O ATOM 641 OD2 ASP A 41 5.507 10.927 -7.537 1.00 0.00 O ATOM 0 H ASP A 41 9.259 9.116 -5.161 1.00 0.00 H new ATOM 0 HA ASP A 41 7.983 11.713 -4.792 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.945 10.044 -6.826 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.721 9.185 -5.912 1.00 0.00 H new ATOM 646 N ALA A 42 6.813 9.037 -3.243 1.00 0.00 N ATOM 647 CA ALA A 42 5.934 8.635 -2.111 1.00 0.00 C ATOM 648 C ALA A 42 6.309 9.428 -0.857 1.00 0.00 C ATOM 649 O ALA A 42 5.543 10.230 -0.364 1.00 0.00 O ATOM 650 CB ALA A 42 6.115 7.142 -1.837 1.00 0.00 C ATOM 0 H ALA A 42 7.309 8.272 -3.700 1.00 0.00 H new ATOM 0 HA ALA A 42 4.895 8.840 -2.370 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.473 6.844 -1.008 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.846 6.573 -2.727 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.155 6.943 -1.580 1.00 0.00 H new ATOM 656 N LEU A 43 7.482 9.198 -0.335 1.00 0.00 N ATOM 657 CA LEU A 43 7.915 9.923 0.895 1.00 0.00 C ATOM 658 C LEU A 43 7.700 11.431 0.731 1.00 0.00 C ATOM 659 O LEU A 43 7.211 12.095 1.625 1.00 0.00 O ATOM 660 CB LEU A 43 9.398 9.647 1.144 1.00 0.00 C ATOM 661 CG LEU A 43 9.549 8.338 1.921 1.00 0.00 C ATOM 662 CD1 LEU A 43 10.901 7.702 1.595 1.00 0.00 C ATOM 663 CD2 LEU A 43 9.470 8.627 3.422 1.00 0.00 C ATOM 0 H LEU A 43 8.163 8.537 -0.708 1.00 0.00 H new ATOM 0 HA LEU A 43 7.322 9.574 1.740 1.00 0.00 H new ATOM 0 HB2 LEU A 43 9.931 9.583 0.196 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.843 10.469 1.705 1.00 0.00 H new ATOM 0 HG LEU A 43 8.750 7.653 1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.007 6.769 2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.959 7.497 0.526 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.702 8.385 1.877 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.577 7.696 3.978 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.270 9.312 3.703 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.506 9.080 3.655 1.00 0.00 H new ATOM 675 N ASN A 44 8.074 11.985 -0.391 1.00 0.00 N ATOM 676 CA ASN A 44 7.902 13.455 -0.584 1.00 0.00 C ATOM 677 C ASN A 44 6.419 13.830 -0.560 1.00 0.00 C ATOM 678 O ASN A 44 6.039 14.852 -0.025 1.00 0.00 O ATOM 679 CB ASN A 44 8.503 13.868 -1.930 1.00 0.00 C ATOM 680 CG ASN A 44 10.024 13.964 -1.806 1.00 0.00 C ATOM 681 OD1 ASN A 44 10.774 13.559 -2.794 1.00 0.00 O flip ATOM 682 ND2 ASN A 44 10.536 14.413 -0.800 1.00 0.00 N flip ATOM 0 H ASN A 44 8.489 11.487 -1.179 1.00 0.00 H new ATOM 0 HA ASN A 44 8.412 13.974 0.227 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.236 13.141 -2.697 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.092 14.828 -2.244 1.00 0.00 H new ATOM 0 HD21 ASN A 44 9.950 14.730 -0.027 1.00 0.00 H new ATOM 0 HD22 ASN A 44 11.552 14.473 -0.728 1.00 0.00 H new ATOM 689 N LYS A 45 5.579 13.024 -1.143 1.00 0.00 N ATOM 690 CA LYS A 45 4.125 13.356 -1.162 1.00 0.00 C ATOM 691 C LYS A 45 3.423 12.766 0.064 1.00 0.00 C ATOM 692 O LYS A 45 2.236 12.948 0.249 1.00 0.00 O ATOM 693 CB LYS A 45 3.488 12.795 -2.436 1.00 0.00 C ATOM 694 CG LYS A 45 3.400 13.904 -3.488 1.00 0.00 C ATOM 695 CD LYS A 45 2.821 13.334 -4.787 1.00 0.00 C ATOM 696 CE LYS A 45 2.552 14.474 -5.773 1.00 0.00 C ATOM 697 NZ LYS A 45 3.277 14.209 -7.047 1.00 0.00 N ATOM 0 H LYS A 45 5.833 12.152 -1.607 1.00 0.00 H new ATOM 0 HA LYS A 45 4.014 14.440 -1.141 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.080 11.963 -2.817 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.494 12.405 -2.218 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.771 14.716 -3.123 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.389 14.324 -3.672 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.517 12.618 -5.224 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.897 12.794 -4.579 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.482 14.561 -5.962 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.878 15.423 -5.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.095 14.983 -7.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.298 14.147 -6.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.945 13.312 -7.455 1.00 0.00 H new ATOM 711 N LEU A 46 4.134 12.069 0.911 1.00 0.00 N ATOM 712 CA LEU A 46 3.472 11.491 2.117 1.00 0.00 C ATOM 713 C LEU A 46 3.496 12.527 3.238 1.00 0.00 C ATOM 714 O LEU A 46 2.607 12.580 4.066 1.00 0.00 O ATOM 715 CB LEU A 46 4.218 10.223 2.578 1.00 0.00 C ATOM 716 CG LEU A 46 3.308 8.971 2.552 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.883 7.933 1.596 1.00 0.00 C ATOM 718 CD2 LEU A 46 3.242 8.362 3.951 1.00 0.00 C ATOM 0 H LEU A 46 5.132 11.877 0.822 1.00 0.00 H new ATOM 0 HA LEU A 46 2.444 11.226 1.872 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.082 10.057 1.934 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.598 10.374 3.588 1.00 0.00 H new ATOM 0 HG LEU A 46 2.311 9.264 2.222 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.238 7.054 1.582 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.942 8.355 0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.881 7.646 1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.601 7.480 3.934 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.244 8.077 4.271 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.833 9.094 4.648 1.00 0.00 H new ATOM 730 N GLN A 47 4.497 13.362 3.270 1.00 0.00 N ATOM 731 CA GLN A 47 4.557 14.399 4.336 1.00 0.00 C ATOM 732 C GLN A 47 3.258 15.201 4.308 1.00 0.00 C ATOM 733 O GLN A 47 2.986 16.002 5.182 1.00 0.00 O ATOM 734 CB GLN A 47 5.744 15.329 4.076 1.00 0.00 C ATOM 735 CG GLN A 47 7.018 14.702 4.641 1.00 0.00 C ATOM 736 CD GLN A 47 8.239 15.323 3.961 1.00 0.00 C ATOM 737 OE1 GLN A 47 8.477 16.509 4.080 1.00 0.00 O ATOM 738 NE2 GLN A 47 9.030 14.567 3.247 1.00 0.00 N ATOM 0 H GLN A 47 5.272 13.371 2.607 1.00 0.00 H new ATOM 0 HA GLN A 47 4.681 13.929 5.311 1.00 0.00 H new ATOM 0 HB2 GLN A 47 5.856 15.503 3.006 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.567 16.299 4.540 1.00 0.00 H new ATOM 0 HG2 GLN A 47 7.068 14.862 5.718 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.008 13.624 4.479 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.831 13.572 3.147 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.847 14.972 2.790 1.00 0.00 H new ATOM 747 N ALA A 48 2.452 14.988 3.302 1.00 0.00 N ATOM 748 CA ALA A 48 1.166 15.725 3.193 1.00 0.00 C ATOM 749 C ALA A 48 0.461 15.738 4.550 1.00 0.00 C ATOM 750 O ALA A 48 0.311 16.775 5.166 1.00 0.00 O ATOM 751 CB ALA A 48 0.274 15.036 2.158 1.00 0.00 C ATOM 0 H ALA A 48 2.634 14.328 2.546 1.00 0.00 H new ATOM 0 HA ALA A 48 1.362 16.751 2.882 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.670 15.574 2.076 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.775 15.033 1.190 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.081 14.010 2.470 1.00 0.00 H new ATOM 757 N GLY A 49 0.021 14.598 5.021 1.00 0.00 N ATOM 758 CA GLY A 49 -0.677 14.561 6.340 1.00 0.00 C ATOM 759 C GLY A 49 -0.312 13.277 7.086 1.00 0.00 C ATOM 760 O GLY A 49 0.668 13.220 7.803 1.00 0.00 O ATOM 0 H GLY A 49 0.115 13.697 4.552 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.396 15.430 6.935 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.756 14.612 6.192 1.00 0.00 H new ATOM 764 N GLY A 50 -1.094 12.248 6.923 1.00 0.00 N ATOM 765 CA GLY A 50 -0.800 10.964 7.619 1.00 0.00 C ATOM 766 C GLY A 50 -1.467 9.827 6.854 1.00 0.00 C ATOM 767 O GLY A 50 -2.514 9.336 7.230 1.00 0.00 O ATOM 0 H GLY A 50 -1.928 12.240 6.335 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.277 10.802 7.673 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.169 10.997 8.644 1.00 0.00 H new ATOM 771 N TYR A 51 -0.874 9.414 5.773 1.00 0.00 N ATOM 772 CA TYR A 51 -1.470 8.322 4.965 1.00 0.00 C ATOM 773 C TYR A 51 -1.657 7.077 5.822 1.00 0.00 C ATOM 774 O TYR A 51 -0.779 6.245 5.930 1.00 0.00 O ATOM 775 CB TYR A 51 -0.546 8.008 3.796 1.00 0.00 C ATOM 776 CG TYR A 51 -0.779 9.023 2.711 1.00 0.00 C ATOM 777 CD1 TYR A 51 -0.043 10.210 2.700 1.00 0.00 C ATOM 778 CD2 TYR A 51 -1.740 8.782 1.725 1.00 0.00 C ATOM 779 CE1 TYR A 51 -0.267 11.161 1.701 1.00 0.00 C ATOM 780 CE2 TYR A 51 -1.963 9.733 0.722 1.00 0.00 C ATOM 781 CZ TYR A 51 -1.224 10.923 0.711 1.00 0.00 C ATOM 782 OH TYR A 51 -1.439 11.862 -0.270 1.00 0.00 O ATOM 0 H TYR A 51 0.004 9.789 5.413 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.444 8.638 4.591 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.495 8.033 4.120 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.739 7.003 3.421 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.699 10.393 3.463 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.309 7.864 1.737 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.300 12.080 1.694 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.704 9.549 -0.042 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.731 12.703 0.140 1.00 0.00 H new ATOM 792 N GLY A 52 -2.802 6.936 6.423 1.00 0.00 N ATOM 793 CA GLY A 52 -3.050 5.737 7.260 1.00 0.00 C ATOM 794 C GLY A 52 -2.871 4.487 6.406 1.00 0.00 C ATOM 795 O GLY A 52 -2.873 3.380 6.902 1.00 0.00 O ATOM 0 H GLY A 52 -3.575 7.599 6.370 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.360 5.718 8.104 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.058 5.769 7.673 1.00 0.00 H new ATOM 799 N PHE A 53 -2.733 4.652 5.117 1.00 0.00 N ATOM 800 CA PHE A 53 -2.579 3.468 4.235 1.00 0.00 C ATOM 801 C PHE A 53 -1.722 3.828 3.017 1.00 0.00 C ATOM 802 O PHE A 53 -1.882 4.876 2.421 1.00 0.00 O ATOM 803 CB PHE A 53 -3.966 3.053 3.766 1.00 0.00 C ATOM 804 CG PHE A 53 -4.220 1.600 4.075 1.00 0.00 C ATOM 805 CD1 PHE A 53 -4.535 1.205 5.376 1.00 0.00 C ATOM 806 CD2 PHE A 53 -4.189 0.656 3.050 1.00 0.00 C ATOM 807 CE1 PHE A 53 -4.810 -0.132 5.649 1.00 0.00 C ATOM 808 CE2 PHE A 53 -4.471 -0.678 3.317 1.00 0.00 C ATOM 809 CZ PHE A 53 -4.780 -1.080 4.619 1.00 0.00 C ATOM 0 H PHE A 53 -2.721 5.554 4.642 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.093 2.657 4.778 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.720 3.671 4.253 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.059 3.224 2.693 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.565 1.936 6.170 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.945 0.963 2.044 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.047 -0.439 6.657 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.451 -1.404 2.518 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.995 -2.117 4.830 1.00 0.00 H new ATOM 819 N VAL A 54 -0.820 2.962 2.633 1.00 0.00 N ATOM 820 CA VAL A 54 0.032 3.255 1.441 1.00 0.00 C ATOM 821 C VAL A 54 0.113 2.015 0.548 1.00 0.00 C ATOM 822 O VAL A 54 0.567 0.962 0.957 1.00 0.00 O ATOM 823 CB VAL A 54 1.437 3.668 1.889 1.00 0.00 C ATOM 824 CG1 VAL A 54 2.326 3.872 0.658 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.356 4.981 2.673 1.00 0.00 C ATOM 0 H VAL A 54 -0.637 2.069 3.090 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.413 4.075 0.877 1.00 0.00 H new ATOM 0 HB VAL A 54 1.859 2.887 2.522 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.326 4.166 0.976 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.384 2.942 0.093 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.901 4.654 0.028 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.355 5.276 2.993 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.934 5.759 2.037 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.721 4.844 3.548 1.00 0.00 H new ATOM 835 N ILE A 55 -0.331 2.146 -0.674 1.00 0.00 N ATOM 836 CA ILE A 55 -0.295 1.004 -1.632 1.00 0.00 C ATOM 837 C ILE A 55 0.815 1.258 -2.657 1.00 0.00 C ATOM 838 O ILE A 55 0.915 2.329 -3.221 1.00 0.00 O ATOM 839 CB ILE A 55 -1.644 0.909 -2.356 1.00 0.00 C ATOM 840 CG1 ILE A 55 -2.775 0.881 -1.326 1.00 0.00 C ATOM 841 CG2 ILE A 55 -1.696 -0.368 -3.198 1.00 0.00 C ATOM 842 CD1 ILE A 55 -4.121 0.786 -2.048 1.00 0.00 C ATOM 0 H ILE A 55 -0.722 3.008 -1.053 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.103 0.073 -1.098 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.760 1.775 -3.008 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.649 0.031 -0.655 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.743 1.780 -0.711 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.657 -0.428 -3.709 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.893 -0.351 -3.935 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.575 -1.236 -2.550 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.927 0.766 -1.314 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.246 1.650 -2.700 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.151 -0.126 -2.644 1.00 0.00 H new ATOM 854 N SER A 56 1.649 0.285 -2.903 1.00 0.00 N ATOM 855 CA SER A 56 2.748 0.480 -3.891 1.00 0.00 C ATOM 856 C SER A 56 3.077 -0.860 -4.553 1.00 0.00 C ATOM 857 O SER A 56 2.927 -1.907 -3.957 1.00 0.00 O ATOM 858 CB SER A 56 3.989 1.011 -3.173 1.00 0.00 C ATOM 859 OG SER A 56 4.516 -0.007 -2.333 1.00 0.00 O ATOM 0 H SER A 56 1.617 -0.635 -2.464 1.00 0.00 H new ATOM 0 HA SER A 56 2.434 1.196 -4.651 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.739 1.323 -3.900 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.733 1.890 -2.582 1.00 0.00 H new ATOM 0 HG SER A 56 5.313 0.329 -1.872 1.00 0.00 H new ATOM 865 N ASP A 57 3.527 -0.838 -5.779 1.00 0.00 N ATOM 866 CA ASP A 57 3.868 -2.115 -6.467 1.00 0.00 C ATOM 867 C ASP A 57 4.975 -2.827 -5.686 1.00 0.00 C ATOM 868 O ASP A 57 4.788 -3.231 -4.555 1.00 0.00 O ATOM 869 CB ASP A 57 4.355 -1.818 -7.887 1.00 0.00 C ATOM 870 CG ASP A 57 3.170 -1.393 -8.757 1.00 0.00 C ATOM 871 OD1 ASP A 57 2.263 -2.193 -8.921 1.00 0.00 O ATOM 872 OD2 ASP A 57 3.189 -0.275 -9.244 1.00 0.00 O ATOM 0 H ASP A 57 3.673 0.007 -6.332 1.00 0.00 H new ATOM 0 HA ASP A 57 2.985 -2.752 -6.515 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.106 -1.029 -7.867 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.832 -2.702 -8.311 1.00 0.00 H new ATOM 877 N TRP A 58 6.130 -2.976 -6.272 1.00 0.00 N ATOM 878 CA TRP A 58 7.244 -3.654 -5.549 1.00 0.00 C ATOM 879 C TRP A 58 8.583 -3.101 -6.036 1.00 0.00 C ATOM 880 O TRP A 58 9.481 -2.851 -5.256 1.00 0.00 O ATOM 881 CB TRP A 58 7.197 -5.160 -5.809 1.00 0.00 C ATOM 882 CG TRP A 58 8.344 -5.811 -5.102 1.00 0.00 C ATOM 883 CD1 TRP A 58 9.412 -6.377 -5.709 1.00 0.00 C ATOM 884 CD2 TRP A 58 8.558 -5.968 -3.669 1.00 0.00 C ATOM 885 NE1 TRP A 58 10.267 -6.871 -4.741 1.00 0.00 N ATOM 886 CE2 TRP A 58 9.784 -6.643 -3.467 1.00 0.00 C ATOM 887 CE3 TRP A 58 7.813 -5.594 -2.536 1.00 0.00 C ATOM 888 CZ2 TRP A 58 10.256 -6.936 -2.186 1.00 0.00 C ATOM 889 CZ3 TRP A 58 8.285 -5.888 -1.246 1.00 0.00 C ATOM 890 CH2 TRP A 58 9.504 -6.557 -1.072 1.00 0.00 C ATOM 0 H TRP A 58 6.351 -2.660 -7.216 1.00 0.00 H new ATOM 0 HA TRP A 58 7.136 -3.469 -4.480 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.253 -5.574 -5.456 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.252 -5.359 -6.879 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.571 -6.434 -6.776 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.147 -7.346 -4.943 1.00 0.00 H new ATOM 0 HE3 TRP A 58 6.872 -5.078 -2.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 11.196 -7.452 -2.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.705 -5.597 -0.383 1.00 0.00 H new ATOM 0 HH2 TRP A 58 9.862 -6.779 -0.077 1.00 0.00 H new ATOM 901 N ASN A 59 8.731 -2.910 -7.318 1.00 0.00 N ATOM 902 CA ASN A 59 10.020 -2.378 -7.839 1.00 0.00 C ATOM 903 C ASN A 59 9.967 -2.285 -9.365 1.00 0.00 C ATOM 904 O ASN A 59 9.882 -3.283 -10.053 1.00 0.00 O ATOM 905 CB ASN A 59 11.156 -3.318 -7.421 1.00 0.00 C ATOM 906 CG ASN A 59 12.272 -3.284 -8.468 1.00 0.00 C ATOM 907 OD1 ASN A 59 12.142 -3.971 -9.569 1.00 0.00 O flip ATOM 908 ND2 ASN A 59 13.277 -2.629 -8.279 1.00 0.00 N flip ATOM 0 H ASN A 59 8.019 -3.098 -8.023 1.00 0.00 H new ATOM 0 HA ASN A 59 10.194 -1.383 -7.429 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.548 -3.019 -6.449 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.778 -4.334 -7.313 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.381 -2.091 -7.419 1.00 0.00 H new ATOM 0 HD22 ASN A 59 14.017 -2.617 -8.981 1.00 0.00 H new ATOM 915 N MET A 60 10.025 -1.087 -9.892 1.00 0.00 N ATOM 916 CA MET A 60 9.992 -0.906 -11.375 1.00 0.00 C ATOM 917 C MET A 60 11.110 0.059 -11.821 1.00 0.00 C ATOM 918 O MET A 60 11.907 -0.312 -12.659 1.00 0.00 O ATOM 919 CB MET A 60 8.618 -0.396 -11.825 1.00 0.00 C ATOM 920 CG MET A 60 7.920 -1.480 -12.650 1.00 0.00 C ATOM 921 SD MET A 60 7.721 -2.971 -11.644 1.00 0.00 S ATOM 922 CE MET A 60 7.017 -4.028 -12.935 1.00 0.00 C ATOM 0 H MET A 60 10.094 -0.223 -9.355 1.00 0.00 H new ATOM 0 HA MET A 60 10.165 -1.873 -11.848 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.012 -0.137 -10.957 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.731 0.512 -12.418 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.947 -1.124 -12.988 1.00 0.00 H new ATOM 0 HG3 MET A 60 8.504 -1.706 -13.542 1.00 0.00 H new ATOM 0 HE1 MET A 60 6.813 -5.017 -12.524 1.00 0.00 H new ATOM 0 HE2 MET A 60 6.089 -3.588 -13.300 1.00 0.00 H new ATOM 0 HE3 MET A 60 7.725 -4.116 -13.759 1.00 0.00 H new ATOM 932 N PRO A 61 11.178 1.263 -11.265 1.00 0.00 N ATOM 933 CA PRO A 61 12.244 2.207 -11.655 1.00 0.00 C ATOM 934 C PRO A 61 13.596 1.630 -11.228 1.00 0.00 C ATOM 935 O PRO A 61 14.461 1.360 -12.040 1.00 0.00 O ATOM 936 CB PRO A 61 11.946 3.496 -10.877 1.00 0.00 C ATOM 937 CG PRO A 61 10.679 3.248 -10.025 1.00 0.00 C ATOM 938 CD PRO A 61 10.245 1.790 -10.242 1.00 0.00 C ATOM 0 HA PRO A 61 12.278 2.388 -12.729 1.00 0.00 H new ATOM 0 HB2 PRO A 61 12.789 3.762 -10.240 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.789 4.329 -11.562 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.886 3.432 -8.971 1.00 0.00 H new ATOM 0 HG3 PRO A 61 9.882 3.931 -10.318 1.00 0.00 H new ATOM 0 HD2 PRO A 61 10.308 1.217 -9.317 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.211 1.732 -10.583 1.00 0.00 H new ATOM 946 N ASN A 62 13.769 1.427 -9.952 1.00 0.00 N ATOM 947 CA ASN A 62 15.041 0.852 -9.429 1.00 0.00 C ATOM 948 C ASN A 62 14.738 0.159 -8.101 1.00 0.00 C ATOM 949 O ASN A 62 13.649 -0.337 -7.896 1.00 0.00 O ATOM 950 CB ASN A 62 16.063 1.969 -9.204 1.00 0.00 C ATOM 951 CG ASN A 62 15.966 2.988 -10.340 1.00 0.00 C ATOM 952 OD1 ASN A 62 15.184 4.023 -10.206 1.00 0.00 O flip ATOM 953 ND2 ASN A 62 16.608 2.840 -11.361 1.00 0.00 N flip ATOM 0 H ASN A 62 13.072 1.638 -9.238 1.00 0.00 H new ATOM 0 HA ASN A 62 15.454 0.140 -10.144 1.00 0.00 H new ATOM 0 HB2 ASN A 62 15.879 2.457 -8.247 1.00 0.00 H new ATOM 0 HB3 ASN A 62 17.069 1.552 -9.161 1.00 0.00 H new ATOM 0 HD21 ASN A 62 17.220 2.031 -11.466 1.00 0.00 H new ATOM 0 HD22 ASN A 62 16.535 3.525 -12.113 1.00 0.00 H new ATOM 960 N MET A 63 15.675 0.131 -7.190 1.00 0.00 N ATOM 961 CA MET A 63 15.402 -0.520 -5.878 1.00 0.00 C ATOM 962 C MET A 63 14.062 -0.004 -5.352 1.00 0.00 C ATOM 963 O MET A 63 13.050 -0.671 -5.440 1.00 0.00 O ATOM 964 CB MET A 63 16.512 -0.163 -4.886 1.00 0.00 C ATOM 965 CG MET A 63 17.688 -1.123 -5.064 1.00 0.00 C ATOM 966 SD MET A 63 19.202 -0.341 -4.453 1.00 0.00 S ATOM 967 CE MET A 63 19.999 -1.844 -3.835 1.00 0.00 C ATOM 0 H MET A 63 16.609 0.527 -7.297 1.00 0.00 H new ATOM 0 HA MET A 63 15.368 -1.603 -5.998 1.00 0.00 H new ATOM 0 HB2 MET A 63 16.840 0.864 -5.047 1.00 0.00 H new ATOM 0 HB3 MET A 63 16.134 -0.221 -3.865 1.00 0.00 H new ATOM 0 HG2 MET A 63 17.500 -2.050 -4.522 1.00 0.00 H new ATOM 0 HG3 MET A 63 17.801 -1.386 -6.116 1.00 0.00 H new ATOM 0 HE1 MET A 63 20.968 -1.591 -3.405 1.00 0.00 H new ATOM 0 HE2 MET A 63 19.371 -2.301 -3.070 1.00 0.00 H new ATOM 0 HE3 MET A 63 20.138 -2.546 -4.657 1.00 0.00 H new ATOM 977 N ASP A 64 14.047 1.193 -4.833 1.00 0.00 N ATOM 978 CA ASP A 64 12.778 1.784 -4.324 1.00 0.00 C ATOM 979 C ASP A 64 11.972 0.746 -3.538 1.00 0.00 C ATOM 980 O ASP A 64 12.505 -0.215 -3.023 1.00 0.00 O ATOM 981 CB ASP A 64 11.946 2.274 -5.511 1.00 0.00 C ATOM 982 CG ASP A 64 11.319 3.628 -5.173 1.00 0.00 C ATOM 983 OD1 ASP A 64 12.029 4.617 -5.229 1.00 0.00 O ATOM 984 OD2 ASP A 64 10.139 3.651 -4.867 1.00 0.00 O ATOM 0 H ASP A 64 14.867 1.792 -4.739 1.00 0.00 H new ATOM 0 HA ASP A 64 13.018 2.614 -3.659 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.575 2.364 -6.397 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.167 1.549 -5.746 1.00 0.00 H new ATOM 989 N GLY A 65 10.686 0.952 -3.445 1.00 0.00 N ATOM 990 CA GLY A 65 9.806 0.009 -2.693 1.00 0.00 C ATOM 991 C GLY A 65 10.389 -0.318 -1.312 1.00 0.00 C ATOM 992 O GLY A 65 10.007 0.270 -0.323 1.00 0.00 O ATOM 0 H GLY A 65 10.200 1.745 -3.864 1.00 0.00 H new ATOM 0 HA2 GLY A 65 8.815 0.448 -2.577 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.683 -0.911 -3.265 1.00 0.00 H new ATOM 996 N LEU A 66 11.289 -1.264 -1.225 1.00 0.00 N ATOM 997 CA LEU A 66 11.859 -1.624 0.111 1.00 0.00 C ATOM 998 C LEU A 66 12.353 -0.359 0.831 1.00 0.00 C ATOM 999 O LEU A 66 11.702 0.139 1.726 1.00 0.00 O ATOM 1000 CB LEU A 66 13.015 -2.620 -0.069 1.00 0.00 C ATOM 1001 CG LEU A 66 12.840 -3.813 0.885 1.00 0.00 C ATOM 1002 CD1 LEU A 66 12.697 -3.315 2.326 1.00 0.00 C ATOM 1003 CD2 LEU A 66 11.590 -4.611 0.499 1.00 0.00 C ATOM 0 H LEU A 66 11.652 -1.800 -2.013 1.00 0.00 H new ATOM 0 HA LEU A 66 11.082 -2.089 0.718 1.00 0.00 H new ATOM 0 HB2 LEU A 66 13.045 -2.971 -1.100 1.00 0.00 H new ATOM 0 HB3 LEU A 66 13.966 -2.124 0.127 1.00 0.00 H new ATOM 0 HG LEU A 66 13.718 -4.454 0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.573 -4.167 2.995 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.590 -2.758 2.609 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.825 -2.665 2.402 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.472 -5.455 1.179 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.713 -3.967 0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.694 -4.980 -0.521 1.00 0.00 H new ATOM 1015 N GLU A 67 13.489 0.168 0.457 1.00 0.00 N ATOM 1016 CA GLU A 67 13.995 1.395 1.137 1.00 0.00 C ATOM 1017 C GLU A 67 12.868 2.427 1.195 1.00 0.00 C ATOM 1018 O GLU A 67 12.747 3.188 2.133 1.00 0.00 O ATOM 1019 CB GLU A 67 15.171 1.961 0.340 1.00 0.00 C ATOM 1020 CG GLU A 67 16.471 1.298 0.801 1.00 0.00 C ATOM 1021 CD GLU A 67 17.452 1.231 -0.372 1.00 0.00 C ATOM 1022 OE1 GLU A 67 17.776 2.277 -0.910 1.00 0.00 O ATOM 1023 OE2 GLU A 67 17.864 0.133 -0.712 1.00 0.00 O ATOM 0 H GLU A 67 14.085 -0.196 -0.286 1.00 0.00 H new ATOM 0 HA GLU A 67 14.326 1.156 2.148 1.00 0.00 H new ATOM 0 HB2 GLU A 67 15.019 1.786 -0.725 1.00 0.00 H new ATOM 0 HB3 GLU A 67 15.232 3.040 0.480 1.00 0.00 H new ATOM 0 HG2 GLU A 67 16.909 1.864 1.623 1.00 0.00 H new ATOM 0 HG3 GLU A 67 16.267 0.295 1.177 1.00 0.00 H new ATOM 1030 N LEU A 68 12.039 2.439 0.192 1.00 0.00 N ATOM 1031 CA LEU A 68 10.898 3.394 0.147 1.00 0.00 C ATOM 1032 C LEU A 68 9.964 3.105 1.320 1.00 0.00 C ATOM 1033 O LEU A 68 9.380 3.996 1.906 1.00 0.00 O ATOM 1034 CB LEU A 68 10.186 3.180 -1.196 1.00 0.00 C ATOM 1035 CG LEU A 68 8.656 3.112 -1.068 1.00 0.00 C ATOM 1036 CD1 LEU A 68 8.119 4.398 -0.446 1.00 0.00 C ATOM 1037 CD2 LEU A 68 8.052 2.953 -2.468 1.00 0.00 C ATOM 0 H LEU A 68 12.104 1.816 -0.613 1.00 0.00 H new ATOM 0 HA LEU A 68 11.228 4.430 0.229 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.451 3.992 -1.874 1.00 0.00 H new ATOM 0 HB3 LEU A 68 10.547 2.256 -1.648 1.00 0.00 H new ATOM 0 HG LEU A 68 8.387 2.268 -0.433 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.034 4.336 -0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.553 4.532 0.545 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.386 5.246 -1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.966 2.903 -2.392 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.334 3.806 -3.085 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.426 2.036 -2.924 1.00 0.00 H new ATOM 1049 N LEU A 69 9.826 1.859 1.661 1.00 0.00 N ATOM 1050 CA LEU A 69 8.938 1.476 2.786 1.00 0.00 C ATOM 1051 C LEU A 69 9.748 1.475 4.080 1.00 0.00 C ATOM 1052 O LEU A 69 9.455 2.205 5.008 1.00 0.00 O ATOM 1053 CB LEU A 69 8.385 0.081 2.501 1.00 0.00 C ATOM 1054 CG LEU A 69 7.254 -0.266 3.487 1.00 0.00 C ATOM 1055 CD1 LEU A 69 6.306 -1.280 2.857 1.00 0.00 C ATOM 1056 CD2 LEU A 69 7.811 -0.893 4.764 1.00 0.00 C ATOM 0 H LEU A 69 10.297 1.080 1.202 1.00 0.00 H new ATOM 0 HA LEU A 69 8.113 2.181 2.891 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.010 0.034 1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.184 -0.656 2.582 1.00 0.00 H new ATOM 0 HG LEU A 69 6.733 0.662 3.724 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.509 -1.520 3.561 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.874 -0.859 1.949 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.856 -2.188 2.609 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.990 -1.128 5.442 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.349 -1.808 4.515 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.491 -0.192 5.247 1.00 0.00 H new ATOM 1068 N LYS A 70 10.762 0.652 4.132 1.00 0.00 N ATOM 1069 CA LYS A 70 11.632 0.574 5.347 1.00 0.00 C ATOM 1070 C LYS A 70 11.794 1.964 5.965 1.00 0.00 C ATOM 1071 O LYS A 70 11.863 2.112 7.169 1.00 0.00 O ATOM 1072 CB LYS A 70 13.006 0.030 4.948 1.00 0.00 C ATOM 1073 CG LYS A 70 13.809 -0.311 6.207 1.00 0.00 C ATOM 1074 CD LYS A 70 15.255 0.181 6.055 1.00 0.00 C ATOM 1075 CE LYS A 70 15.299 1.714 6.021 1.00 0.00 C ATOM 1076 NZ LYS A 70 15.518 2.172 4.620 1.00 0.00 N ATOM 0 H LYS A 70 11.029 0.022 3.376 1.00 0.00 H new ATOM 0 HA LYS A 70 11.170 -0.089 6.079 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.890 -0.858 4.327 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.542 0.769 4.352 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.348 0.152 7.079 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.798 -1.388 6.375 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.860 -0.188 6.883 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.688 -0.222 5.139 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.366 2.124 6.408 1.00 0.00 H new ATOM 0 HE3 LYS A 70 16.099 2.080 6.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.453 2.620 4.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.471 1.356 3.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.782 2.860 4.361 1.00 0.00 H new ATOM 1090 N THR A 71 11.834 2.988 5.154 1.00 0.00 N ATOM 1091 CA THR A 71 11.966 4.362 5.710 1.00 0.00 C ATOM 1092 C THR A 71 10.780 4.619 6.637 1.00 0.00 C ATOM 1093 O THR A 71 10.937 5.028 7.771 1.00 0.00 O ATOM 1094 CB THR A 71 11.959 5.385 4.572 1.00 0.00 C ATOM 1095 OG1 THR A 71 13.117 5.207 3.768 1.00 0.00 O ATOM 1096 CG2 THR A 71 11.951 6.798 5.155 1.00 0.00 C ATOM 0 H THR A 71 11.781 2.931 4.137 1.00 0.00 H new ATOM 0 HA THR A 71 12.903 4.455 6.259 1.00 0.00 H new ATOM 0 HB THR A 71 11.068 5.242 3.960 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.979 4.452 3.159 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.946 7.526 4.344 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.061 6.933 5.769 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.840 6.944 5.768 1.00 0.00 H new ATOM 1104 N ILE A 72 9.591 4.358 6.165 1.00 0.00 N ATOM 1105 CA ILE A 72 8.386 4.560 7.016 1.00 0.00 C ATOM 1106 C ILE A 72 8.574 3.778 8.317 1.00 0.00 C ATOM 1107 O ILE A 72 8.195 4.222 9.382 1.00 0.00 O ATOM 1108 CB ILE A 72 7.152 4.021 6.281 1.00 0.00 C ATOM 1109 CG1 ILE A 72 6.676 5.027 5.213 1.00 0.00 C ATOM 1110 CG2 ILE A 72 6.026 3.787 7.290 1.00 0.00 C ATOM 1111 CD1 ILE A 72 6.598 4.355 3.833 1.00 0.00 C ATOM 0 H ILE A 72 9.403 4.013 5.224 1.00 0.00 H new ATOM 0 HA ILE A 72 8.250 5.620 7.229 1.00 0.00 H new ATOM 0 HB ILE A 72 7.416 3.085 5.790 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.697 5.421 5.487 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.361 5.874 5.173 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.147 3.404 6.772 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.351 3.063 8.037 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.776 4.727 7.781 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.260 5.081 3.093 1.00 0.00 H new ATOM 0 HD12 ILE A 72 7.584 3.983 3.553 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.895 3.523 3.873 1.00 0.00 H new ATOM 1123 N ARG A 73 9.161 2.615 8.234 1.00 0.00 N ATOM 1124 CA ARG A 73 9.378 1.797 9.460 1.00 0.00 C ATOM 1125 C ARG A 73 10.448 2.457 10.332 1.00 0.00 C ATOM 1126 O ARG A 73 10.411 2.377 11.544 1.00 0.00 O ATOM 1127 CB ARG A 73 9.842 0.394 9.060 1.00 0.00 C ATOM 1128 CG ARG A 73 10.180 -0.412 10.316 1.00 0.00 C ATOM 1129 CD ARG A 73 11.698 -0.521 10.462 1.00 0.00 C ATOM 1130 NE ARG A 73 12.228 -1.459 9.433 1.00 0.00 N ATOM 1131 CZ ARG A 73 13.429 -1.956 9.562 1.00 0.00 C ATOM 1132 NH1 ARG A 73 14.472 -1.201 9.354 1.00 0.00 N ATOM 1133 NH2 ARG A 73 13.584 -3.208 9.899 1.00 0.00 N ATOM 0 H ARG A 73 9.500 2.196 7.368 1.00 0.00 H new ATOM 0 HA ARG A 73 8.445 1.727 10.020 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.061 -0.110 8.491 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.716 0.460 8.412 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.754 0.070 11.196 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.738 -1.406 10.252 1.00 0.00 H new ATOM 0 HD2 ARG A 73 12.157 0.461 10.346 1.00 0.00 H new ATOM 0 HD3 ARG A 73 11.954 -0.876 11.460 1.00 0.00 H new ATOM 0 HE ARG A 73 11.654 -1.713 8.629 1.00 0.00 H new ATOM 0 HH11 ARG A 73 14.349 -0.223 9.091 1.00 0.00 H new ATOM 0 HH12 ARG A 73 15.410 -1.588 9.455 1.00 0.00 H new ATOM 0 HH21 ARG A 73 12.767 -3.797 10.061 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.522 -3.597 10.000 1.00 0.00 H new ATOM 1147 N ALA A 74 11.404 3.106 9.726 1.00 0.00 N ATOM 1148 CA ALA A 74 12.478 3.769 10.519 1.00 0.00 C ATOM 1149 C ALA A 74 11.848 4.698 11.560 1.00 0.00 C ATOM 1150 O ALA A 74 12.411 4.940 12.609 1.00 0.00 O ATOM 1151 CB ALA A 74 13.372 4.584 9.584 1.00 0.00 C ATOM 0 H ALA A 74 11.488 3.206 8.714 1.00 0.00 H new ATOM 0 HA ALA A 74 13.075 3.010 11.025 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.158 5.069 10.163 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.823 3.923 8.844 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.774 5.342 9.078 1.00 0.00 H new ATOM 1157 N ASP A 75 10.688 5.221 11.277 1.00 0.00 N ATOM 1158 CA ASP A 75 10.026 6.136 12.251 1.00 0.00 C ATOM 1159 C ASP A 75 9.435 5.319 13.403 1.00 0.00 C ATOM 1160 O ASP A 75 8.360 4.763 13.293 1.00 0.00 O ATOM 1161 CB ASP A 75 8.908 6.908 11.548 1.00 0.00 C ATOM 1162 CG ASP A 75 8.026 7.593 12.593 1.00 0.00 C ATOM 1163 OD1 ASP A 75 8.542 7.930 13.646 1.00 0.00 O ATOM 1164 OD2 ASP A 75 6.850 7.769 12.324 1.00 0.00 O ATOM 0 H ASP A 75 10.169 5.055 10.415 1.00 0.00 H new ATOM 0 HA ASP A 75 10.761 6.838 12.644 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.333 7.650 10.873 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.310 6.229 10.940 1.00 0.00 H new ATOM 1169 N GLY A 76 10.128 5.242 14.505 1.00 0.00 N ATOM 1170 CA GLY A 76 9.605 4.462 15.661 1.00 0.00 C ATOM 1171 C GLY A 76 8.303 5.091 16.157 1.00 0.00 C ATOM 1172 O GLY A 76 7.483 4.440 16.773 1.00 0.00 O ATOM 0 H GLY A 76 11.034 5.686 14.655 1.00 0.00 H new ATOM 0 HA2 GLY A 76 9.431 3.427 15.366 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.342 4.445 16.464 1.00 0.00 H new ATOM 1176 N ALA A 77 8.104 6.354 15.894 1.00 0.00 N ATOM 1177 CA ALA A 77 6.854 7.023 16.352 1.00 0.00 C ATOM 1178 C ALA A 77 5.653 6.405 15.632 1.00 0.00 C ATOM 1179 O ALA A 77 4.602 6.218 16.212 1.00 0.00 O ATOM 1180 CB ALA A 77 6.929 8.518 16.031 1.00 0.00 C ATOM 0 H ALA A 77 8.753 6.951 15.382 1.00 0.00 H new ATOM 0 HA ALA A 77 6.741 6.888 17.428 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.015 9.008 16.366 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.785 8.958 16.543 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.041 8.654 14.955 1.00 0.00 H new ATOM 1186 N MET A 78 5.805 6.087 14.373 1.00 0.00 N ATOM 1187 CA MET A 78 4.680 5.475 13.603 1.00 0.00 C ATOM 1188 C MET A 78 5.219 4.318 12.759 1.00 0.00 C ATOM 1189 O MET A 78 4.907 4.191 11.592 1.00 0.00 O ATOM 1190 CB MET A 78 4.055 6.525 12.681 1.00 0.00 C ATOM 1191 CG MET A 78 3.878 7.840 13.442 1.00 0.00 C ATOM 1192 SD MET A 78 2.502 8.773 12.724 1.00 0.00 S ATOM 1193 CE MET A 78 3.418 9.504 11.344 1.00 0.00 C ATOM 0 H MET A 78 6.665 6.225 13.842 1.00 0.00 H new ATOM 0 HA MET A 78 3.924 5.107 14.296 1.00 0.00 H new ATOM 0 HB2 MET A 78 4.690 6.681 11.809 1.00 0.00 H new ATOM 0 HB3 MET A 78 3.091 6.173 12.314 1.00 0.00 H new ATOM 0 HG2 MET A 78 3.685 7.639 14.496 1.00 0.00 H new ATOM 0 HG3 MET A 78 4.795 8.427 13.392 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.749 10.132 10.755 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.237 10.110 11.731 1.00 0.00 H new ATOM 0 HE3 MET A 78 3.820 8.711 10.713 1.00 0.00 H new ATOM 1203 N SER A 79 6.028 3.476 13.341 1.00 0.00 N ATOM 1204 CA SER A 79 6.590 2.329 12.573 1.00 0.00 C ATOM 1205 C SER A 79 5.532 1.232 12.446 1.00 0.00 C ATOM 1206 O SER A 79 5.806 0.066 12.649 1.00 0.00 O ATOM 1207 CB SER A 79 7.812 1.778 13.310 1.00 0.00 C ATOM 1208 OG SER A 79 8.120 0.485 12.809 1.00 0.00 O ATOM 0 H SER A 79 6.324 3.533 14.315 1.00 0.00 H new ATOM 0 HA SER A 79 6.884 2.664 11.578 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.663 2.445 13.175 1.00 0.00 H new ATOM 0 HB3 SER A 79 7.613 1.728 14.381 1.00 0.00 H new ATOM 0 HG SER A 79 7.411 -0.142 13.063 1.00 0.00 H new ATOM 1214 N ALA A 80 4.322 1.590 12.113 1.00 0.00 N ATOM 1215 CA ALA A 80 3.259 0.556 11.980 1.00 0.00 C ATOM 1216 C ALA A 80 2.228 0.994 10.937 1.00 0.00 C ATOM 1217 O ALA A 80 1.183 0.391 10.799 1.00 0.00 O ATOM 1218 CB ALA A 80 2.566 0.362 13.328 1.00 0.00 C ATOM 0 H ALA A 80 4.025 2.548 11.928 1.00 0.00 H new ATOM 0 HA ALA A 80 3.713 -0.382 11.661 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.788 -0.395 13.231 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.297 0.039 14.069 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.119 1.304 13.646 1.00 0.00 H new ATOM 1224 N LEU A 81 2.508 2.034 10.199 1.00 0.00 N ATOM 1225 CA LEU A 81 1.527 2.486 9.173 1.00 0.00 C ATOM 1226 C LEU A 81 1.214 1.293 8.238 1.00 0.00 C ATOM 1227 O LEU A 81 2.127 0.766 7.632 1.00 0.00 O ATOM 1228 CB LEU A 81 2.142 3.628 8.354 1.00 0.00 C ATOM 1229 CG LEU A 81 1.033 4.561 7.839 1.00 0.00 C ATOM 1230 CD1 LEU A 81 0.367 5.306 9.005 1.00 0.00 C ATOM 1231 CD2 LEU A 81 1.638 5.583 6.876 1.00 0.00 C ATOM 0 H LEU A 81 3.364 2.585 10.261 1.00 0.00 H new ATOM 0 HA LEU A 81 0.613 2.838 9.652 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.845 4.190 8.969 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.706 3.222 7.514 1.00 0.00 H new ATOM 0 HG LEU A 81 0.281 3.959 7.328 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.415 5.961 8.619 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.071 4.585 9.695 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.114 5.902 9.530 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.854 6.246 6.509 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.395 6.170 7.396 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.097 5.063 6.035 1.00 0.00 H new ATOM 1243 N PRO A 82 -0.039 0.868 8.137 1.00 0.00 N ATOM 1244 CA PRO A 82 -0.385 -0.278 7.273 1.00 0.00 C ATOM 1245 C PRO A 82 -0.029 -0.025 5.804 1.00 0.00 C ATOM 1246 O PRO A 82 -0.382 0.989 5.225 1.00 0.00 O ATOM 1247 CB PRO A 82 -1.898 -0.447 7.411 1.00 0.00 C ATOM 1248 CG PRO A 82 -2.409 0.631 8.393 1.00 0.00 C ATOM 1249 CD PRO A 82 -1.199 1.461 8.846 1.00 0.00 C ATOM 0 HA PRO A 82 0.173 -1.164 7.575 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.384 -0.340 6.441 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -2.138 -1.444 7.780 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.150 1.268 7.910 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.897 0.167 9.250 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.323 2.513 8.588 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.068 1.411 9.927 1.00 0.00 H new ATOM 1257 N VAL A 83 0.634 -0.972 5.197 1.00 0.00 N ATOM 1258 CA VAL A 83 0.990 -0.851 3.757 1.00 0.00 C ATOM 1259 C VAL A 83 0.475 -2.075 3.040 1.00 0.00 C ATOM 1260 O VAL A 83 0.820 -3.186 3.391 1.00 0.00 O ATOM 1261 CB VAL A 83 2.504 -0.830 3.556 1.00 0.00 C ATOM 1262 CG1 VAL A 83 2.823 -1.280 2.118 1.00 0.00 C ATOM 1263 CG2 VAL A 83 3.037 0.583 3.764 1.00 0.00 C ATOM 0 H VAL A 83 0.947 -1.834 5.644 1.00 0.00 H new ATOM 0 HA VAL A 83 0.557 0.074 3.377 1.00 0.00 H new ATOM 0 HB VAL A 83 2.973 -1.501 4.275 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.902 -1.268 1.964 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.445 -2.290 1.960 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.348 -0.600 1.410 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.117 0.589 3.619 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.570 1.257 3.046 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.805 0.914 4.776 1.00 0.00 H new ATOM 1273 N LEU A 84 -0.304 -1.889 2.018 1.00 0.00 N ATOM 1274 CA LEU A 84 -0.787 -3.062 1.260 1.00 0.00 C ATOM 1275 C LEU A 84 -0.057 -3.111 -0.074 1.00 0.00 C ATOM 1276 O LEU A 84 -0.622 -2.869 -1.122 1.00 0.00 O ATOM 1277 CB LEU A 84 -2.296 -2.972 1.041 1.00 0.00 C ATOM 1278 CG LEU A 84 -2.809 -4.253 0.369 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -2.545 -5.465 1.270 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -4.313 -4.125 0.128 1.00 0.00 C ATOM 0 H LEU A 84 -0.624 -0.982 1.678 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.586 -3.973 1.823 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.802 -2.825 1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.530 -2.107 0.420 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.288 -4.392 -0.578 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.913 -6.368 0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.474 -5.560 1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.060 -5.330 2.221 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.683 -5.032 -0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.823 -3.982 1.081 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.506 -3.270 -0.519 1.00 0.00 H new ATOM 1292 N MET A 85 1.210 -3.418 -0.039 1.00 0.00 N ATOM 1293 CA MET A 85 1.985 -3.481 -1.298 1.00 0.00 C ATOM 1294 C MET A 85 1.244 -4.374 -2.286 1.00 0.00 C ATOM 1295 O MET A 85 0.290 -5.041 -1.937 1.00 0.00 O ATOM 1296 CB MET A 85 3.381 -4.045 -1.020 1.00 0.00 C ATOM 1297 CG MET A 85 4.423 -2.942 -1.221 1.00 0.00 C ATOM 1298 SD MET A 85 6.028 -3.507 -0.605 1.00 0.00 S ATOM 1299 CE MET A 85 6.929 -1.962 -0.872 1.00 0.00 C ATOM 0 H MET A 85 1.737 -3.627 0.809 1.00 0.00 H new ATOM 0 HA MET A 85 2.093 -2.481 -1.719 1.00 0.00 H new ATOM 0 HB2 MET A 85 3.434 -4.430 -0.001 1.00 0.00 H new ATOM 0 HB3 MET A 85 3.587 -4.882 -1.688 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.497 -2.685 -2.278 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.117 -2.038 -0.694 1.00 0.00 H new ATOM 0 HE1 MET A 85 7.964 -2.085 -0.554 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.903 -1.704 -1.931 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.464 -1.165 -0.292 1.00 0.00 H new ATOM 1309 N VAL A 86 1.658 -4.372 -3.519 1.00 0.00 N ATOM 1310 CA VAL A 86 0.958 -5.199 -4.537 1.00 0.00 C ATOM 1311 C VAL A 86 1.973 -5.778 -5.520 1.00 0.00 C ATOM 1312 O VAL A 86 2.759 -5.059 -6.104 1.00 0.00 O ATOM 1313 CB VAL A 86 -0.027 -4.300 -5.281 1.00 0.00 C ATOM 1314 CG1 VAL A 86 -0.797 -5.124 -6.304 1.00 0.00 C ATOM 1315 CG2 VAL A 86 -1.003 -3.682 -4.277 1.00 0.00 C ATOM 0 H VAL A 86 2.451 -3.833 -3.867 1.00 0.00 H new ATOM 0 HA VAL A 86 0.430 -6.023 -4.057 1.00 0.00 H new ATOM 0 HB VAL A 86 0.517 -3.508 -5.795 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.500 -4.481 -6.834 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.099 -5.564 -7.016 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.344 -5.917 -5.795 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.708 -3.039 -4.804 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.548 -4.475 -3.764 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.449 -3.091 -3.547 1.00 0.00 H new ATOM 1325 N THR A 87 1.965 -7.071 -5.715 1.00 0.00 N ATOM 1326 CA THR A 87 2.942 -7.668 -6.671 1.00 0.00 C ATOM 1327 C THR A 87 2.348 -8.925 -7.305 1.00 0.00 C ATOM 1328 O THR A 87 1.245 -9.327 -6.993 1.00 0.00 O ATOM 1329 CB THR A 87 4.236 -8.022 -5.930 1.00 0.00 C ATOM 1330 OG1 THR A 87 5.327 -7.971 -6.839 1.00 0.00 O ATOM 1331 CG2 THR A 87 4.131 -9.427 -5.336 1.00 0.00 C ATOM 0 H THR A 87 1.334 -7.731 -5.261 1.00 0.00 H new ATOM 0 HA THR A 87 3.163 -6.945 -7.456 1.00 0.00 H new ATOM 0 HB THR A 87 4.395 -7.306 -5.124 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.156 -8.195 -6.368 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.055 -9.670 -4.811 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.296 -9.465 -4.637 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.967 -10.149 -6.136 1.00 0.00 H new ATOM 1339 N ALA A 88 3.083 -9.543 -8.194 1.00 0.00 N ATOM 1340 CA ALA A 88 2.587 -10.779 -8.865 1.00 0.00 C ATOM 1341 C ALA A 88 3.613 -11.897 -8.674 1.00 0.00 C ATOM 1342 O ALA A 88 3.288 -13.067 -8.724 1.00 0.00 O ATOM 1343 CB ALA A 88 2.406 -10.506 -10.361 1.00 0.00 C ATOM 0 H ALA A 88 4.013 -9.241 -8.485 1.00 0.00 H new ATOM 0 HA ALA A 88 1.632 -11.077 -8.431 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.043 -11.408 -10.854 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.684 -9.701 -10.499 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.362 -10.214 -10.796 1.00 0.00 H new ATOM 1349 N GLU A 89 4.853 -11.542 -8.456 1.00 0.00 N ATOM 1350 CA GLU A 89 5.912 -12.575 -8.260 1.00 0.00 C ATOM 1351 C GLU A 89 6.192 -12.743 -6.765 1.00 0.00 C ATOM 1352 O GLU A 89 7.325 -12.699 -6.328 1.00 0.00 O ATOM 1353 CB GLU A 89 7.193 -12.127 -8.968 1.00 0.00 C ATOM 1354 CG GLU A 89 8.184 -13.292 -9.022 1.00 0.00 C ATOM 1355 CD GLU A 89 9.611 -12.754 -8.915 1.00 0.00 C ATOM 1356 OE1 GLU A 89 9.878 -11.716 -9.497 1.00 0.00 O ATOM 1357 OE2 GLU A 89 10.414 -13.389 -8.251 1.00 0.00 O ATOM 0 H GLU A 89 5.178 -10.577 -8.405 1.00 0.00 H new ATOM 0 HA GLU A 89 5.575 -13.525 -8.676 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.962 -11.785 -9.977 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.637 -11.283 -8.439 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.985 -13.990 -8.209 1.00 0.00 H new ATOM 0 HG3 GLU A 89 8.061 -13.845 -9.954 1.00 0.00 H new ATOM 1364 N ALA A 90 5.170 -12.937 -5.976 1.00 0.00 N ATOM 1365 CA ALA A 90 5.383 -13.109 -4.512 1.00 0.00 C ATOM 1366 C ALA A 90 5.935 -14.509 -4.236 1.00 0.00 C ATOM 1367 O ALA A 90 5.207 -15.483 -4.233 1.00 0.00 O ATOM 1368 CB ALA A 90 4.051 -12.939 -3.779 1.00 0.00 C ATOM 0 H ALA A 90 4.198 -12.984 -6.282 1.00 0.00 H new ATOM 0 HA ALA A 90 6.093 -12.360 -4.160 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.207 -13.065 -2.708 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.653 -11.943 -3.973 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.343 -13.688 -4.133 1.00 0.00 H new ATOM 1374 N LYS A 91 7.213 -14.621 -4.000 1.00 0.00 N ATOM 1375 CA LYS A 91 7.801 -15.962 -3.722 1.00 0.00 C ATOM 1376 C LYS A 91 7.696 -16.261 -2.223 1.00 0.00 C ATOM 1377 O LYS A 91 6.785 -16.931 -1.781 1.00 0.00 O ATOM 1378 CB LYS A 91 9.269 -15.979 -4.158 1.00 0.00 C ATOM 1379 CG LYS A 91 9.789 -17.419 -4.140 1.00 0.00 C ATOM 1380 CD LYS A 91 11.171 -17.462 -3.484 1.00 0.00 C ATOM 1381 CE LYS A 91 12.149 -16.607 -4.291 1.00 0.00 C ATOM 1382 NZ LYS A 91 12.603 -15.454 -3.462 1.00 0.00 N ATOM 0 H LYS A 91 7.874 -13.844 -3.988 1.00 0.00 H new ATOM 0 HA LYS A 91 7.256 -16.724 -4.279 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.367 -15.558 -5.158 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.865 -15.357 -3.490 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.096 -18.059 -3.593 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.847 -17.807 -5.157 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.110 -17.094 -2.460 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.528 -18.490 -3.432 1.00 0.00 H new ATOM 0 HE2 LYS A 91 13.005 -17.207 -4.598 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.669 -16.247 -5.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.516 -15.107 -3.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.898 -14.691 -3.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.712 -15.759 -2.474 1.00 0.00 H new ATOM 1396 N LYS A 92 8.614 -15.764 -1.436 1.00 0.00 N ATOM 1397 CA LYS A 92 8.556 -16.018 0.031 1.00 0.00 C ATOM 1398 C LYS A 92 9.636 -15.187 0.732 1.00 0.00 C ATOM 1399 O LYS A 92 9.347 -14.206 1.388 1.00 0.00 O ATOM 1400 CB LYS A 92 8.785 -17.509 0.311 1.00 0.00 C ATOM 1401 CG LYS A 92 8.099 -17.891 1.625 1.00 0.00 C ATOM 1402 CD LYS A 92 6.659 -18.323 1.343 1.00 0.00 C ATOM 1403 CE LYS A 92 5.910 -18.509 2.664 1.00 0.00 C ATOM 1404 NZ LYS A 92 6.421 -19.723 3.358 1.00 0.00 N ATOM 0 H LYS A 92 9.400 -15.194 -1.747 1.00 0.00 H new ATOM 0 HA LYS A 92 7.574 -15.733 0.410 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.387 -18.109 -0.507 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.853 -17.719 0.371 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.644 -18.701 2.110 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.108 -17.044 2.312 1.00 0.00 H new ATOM 0 HD2 LYS A 92 6.157 -17.573 0.731 1.00 0.00 H new ATOM 0 HD3 LYS A 92 6.652 -19.254 0.776 1.00 0.00 H new ATOM 0 HE2 LYS A 92 6.044 -17.632 3.297 1.00 0.00 H new ATOM 0 HE3 LYS A 92 4.841 -18.607 2.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 5.835 -19.917 4.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 6.381 -20.536 2.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 7.405 -19.565 3.654 1.00 0.00 H new ATOM 1418 N GLU A 93 10.876 -15.572 0.604 1.00 0.00 N ATOM 1419 CA GLU A 93 11.967 -14.807 1.263 1.00 0.00 C ATOM 1420 C GLU A 93 11.843 -13.324 0.908 1.00 0.00 C ATOM 1421 O GLU A 93 12.159 -12.457 1.698 1.00 0.00 O ATOM 1422 CB GLU A 93 13.320 -15.334 0.785 1.00 0.00 C ATOM 1423 CG GLU A 93 14.091 -15.916 1.972 1.00 0.00 C ATOM 1424 CD GLU A 93 15.463 -16.402 1.501 1.00 0.00 C ATOM 1425 OE1 GLU A 93 16.348 -15.573 1.367 1.00 0.00 O ATOM 1426 OE2 GLU A 93 15.605 -17.594 1.283 1.00 0.00 O ATOM 0 H GLU A 93 11.179 -16.386 0.069 1.00 0.00 H new ATOM 0 HA GLU A 93 11.890 -14.927 2.344 1.00 0.00 H new ATOM 0 HB2 GLU A 93 13.175 -16.099 0.022 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.893 -14.529 0.325 1.00 0.00 H new ATOM 0 HG2 GLU A 93 14.208 -15.160 2.749 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.532 -16.742 2.412 1.00 0.00 H new ATOM 1433 N ASN A 94 11.388 -13.025 -0.279 1.00 0.00 N ATOM 1434 CA ASN A 94 11.248 -11.600 -0.686 1.00 0.00 C ATOM 1435 C ASN A 94 10.085 -10.960 0.073 1.00 0.00 C ATOM 1436 O ASN A 94 10.036 -9.760 0.254 1.00 0.00 O ATOM 1437 CB ASN A 94 10.976 -11.531 -2.191 1.00 0.00 C ATOM 1438 CG ASN A 94 12.304 -11.561 -2.951 1.00 0.00 C ATOM 1439 OD1 ASN A 94 13.156 -12.381 -2.673 1.00 0.00 O ATOM 1440 ND2 ASN A 94 12.514 -10.697 -3.905 1.00 0.00 N ATOM 0 H ASN A 94 11.108 -13.707 -0.984 1.00 0.00 H new ATOM 0 HA ASN A 94 12.167 -11.062 -0.454 1.00 0.00 H new ATOM 0 HB2 ASN A 94 10.350 -12.369 -2.497 1.00 0.00 H new ATOM 0 HB3 ASN A 94 10.428 -10.620 -2.431 1.00 0.00 H new ATOM 0 HD21 ASN A 94 13.395 -10.709 -4.419 1.00 0.00 H new ATOM 0 HD22 ASN A 94 11.797 -10.009 -4.137 1.00 0.00 H new ATOM 1447 N ILE A 95 9.146 -11.750 0.518 1.00 0.00 N ATOM 1448 CA ILE A 95 7.987 -11.183 1.264 1.00 0.00 C ATOM 1449 C ILE A 95 8.370 -10.987 2.735 1.00 0.00 C ATOM 1450 O ILE A 95 7.970 -10.030 3.366 1.00 0.00 O ATOM 1451 CB ILE A 95 6.798 -12.141 1.168 1.00 0.00 C ATOM 1452 CG1 ILE A 95 6.364 -12.270 -0.294 1.00 0.00 C ATOM 1453 CG2 ILE A 95 5.632 -11.595 1.994 1.00 0.00 C ATOM 1454 CD1 ILE A 95 5.361 -13.418 -0.431 1.00 0.00 C ATOM 0 H ILE A 95 9.131 -12.763 0.397 1.00 0.00 H new ATOM 0 HA ILE A 95 7.713 -10.221 0.830 1.00 0.00 H new ATOM 0 HB ILE A 95 7.090 -13.119 1.551 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.914 -11.337 -0.634 1.00 0.00 H new ATOM 0 HG13 ILE A 95 7.232 -12.454 -0.927 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.786 -12.278 1.925 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.937 -11.500 3.036 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.341 -10.617 1.611 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.052 -13.509 -1.472 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.827 -14.349 -0.108 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.488 -13.215 0.190 1.00 0.00 H new ATOM 1466 N ILE A 96 9.144 -11.885 3.284 1.00 0.00 N ATOM 1467 CA ILE A 96 9.550 -11.742 4.711 1.00 0.00 C ATOM 1468 C ILE A 96 10.259 -10.401 4.901 1.00 0.00 C ATOM 1469 O ILE A 96 9.854 -9.582 5.700 1.00 0.00 O ATOM 1470 CB ILE A 96 10.485 -12.898 5.097 1.00 0.00 C ATOM 1471 CG1 ILE A 96 9.656 -14.047 5.679 1.00 0.00 C ATOM 1472 CG2 ILE A 96 11.503 -12.436 6.147 1.00 0.00 C ATOM 1473 CD1 ILE A 96 8.546 -14.430 4.699 1.00 0.00 C ATOM 0 H ILE A 96 9.511 -12.709 2.807 1.00 0.00 H new ATOM 0 HA ILE A 96 8.669 -11.774 5.352 1.00 0.00 H new ATOM 0 HB ILE A 96 11.018 -13.231 4.206 1.00 0.00 H new ATOM 0 HG12 ILE A 96 10.296 -14.908 5.873 1.00 0.00 H new ATOM 0 HG13 ILE A 96 9.224 -13.749 6.634 1.00 0.00 H new ATOM 0 HG21 ILE A 96 12.158 -13.267 6.409 1.00 0.00 H new ATOM 0 HG22 ILE A 96 12.099 -11.619 5.741 1.00 0.00 H new ATOM 0 HG23 ILE A 96 10.977 -12.093 7.038 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.958 -15.248 5.116 1.00 0.00 H new ATOM 0 HD12 ILE A 96 7.900 -13.569 4.527 1.00 0.00 H new ATOM 0 HD13 ILE A 96 8.988 -14.746 3.754 1.00 0.00 H new ATOM 1485 N ALA A 97 11.314 -10.171 4.172 1.00 0.00 N ATOM 1486 CA ALA A 97 12.049 -8.880 4.310 1.00 0.00 C ATOM 1487 C ALA A 97 11.048 -7.727 4.292 1.00 0.00 C ATOM 1488 O ALA A 97 11.195 -6.751 5.000 1.00 0.00 O ATOM 1489 CB ALA A 97 13.029 -8.718 3.147 1.00 0.00 C ATOM 0 H ALA A 97 11.701 -10.820 3.486 1.00 0.00 H new ATOM 0 HA ALA A 97 12.601 -8.875 5.250 1.00 0.00 H new ATOM 0 HB1 ALA A 97 13.564 -7.774 3.251 1.00 0.00 H new ATOM 0 HB2 ALA A 97 13.742 -9.542 3.155 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.480 -8.722 2.205 1.00 0.00 H new ATOM 1495 N ALA A 98 10.031 -7.834 3.486 1.00 0.00 N ATOM 1496 CA ALA A 98 9.018 -6.748 3.418 1.00 0.00 C ATOM 1497 C ALA A 98 8.294 -6.632 4.761 1.00 0.00 C ATOM 1498 O ALA A 98 8.319 -5.601 5.402 1.00 0.00 O ATOM 1499 CB ALA A 98 8.002 -7.072 2.324 1.00 0.00 C ATOM 0 H ALA A 98 9.858 -8.628 2.870 1.00 0.00 H new ATOM 0 HA ALA A 98 9.515 -5.805 3.192 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.258 -6.277 2.272 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.514 -7.154 1.365 1.00 0.00 H new ATOM 0 HB3 ALA A 98 7.509 -8.016 2.554 1.00 0.00 H new ATOM 1505 N ALA A 99 7.638 -7.677 5.186 1.00 0.00 N ATOM 1506 CA ALA A 99 6.903 -7.620 6.476 1.00 0.00 C ATOM 1507 C ALA A 99 7.853 -7.196 7.596 1.00 0.00 C ATOM 1508 O ALA A 99 7.493 -6.417 8.457 1.00 0.00 O ATOM 1509 CB ALA A 99 6.315 -8.996 6.794 1.00 0.00 C ATOM 0 H ALA A 99 7.581 -8.568 4.693 1.00 0.00 H new ATOM 0 HA ALA A 99 6.096 -6.892 6.396 1.00 0.00 H new ATOM 0 HB1 ALA A 99 5.776 -8.952 7.741 1.00 0.00 H new ATOM 0 HB2 ALA A 99 5.629 -9.291 6.000 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.120 -9.727 6.868 1.00 0.00 H new ATOM 1515 N GLN A 100 9.064 -7.688 7.592 1.00 0.00 N ATOM 1516 CA GLN A 100 10.026 -7.289 8.657 1.00 0.00 C ATOM 1517 C GLN A 100 9.994 -5.768 8.784 1.00 0.00 C ATOM 1518 O GLN A 100 10.387 -5.201 9.785 1.00 0.00 O ATOM 1519 CB GLN A 100 11.436 -7.745 8.276 1.00 0.00 C ATOM 1520 CG GLN A 100 12.251 -8.004 9.544 1.00 0.00 C ATOM 1521 CD GLN A 100 11.878 -9.371 10.122 1.00 0.00 C ATOM 1522 OE1 GLN A 100 10.850 -10.013 9.636 1.00 0.00 O flip ATOM 1523 NE2 GLN A 100 12.528 -9.860 11.025 1.00 0.00 N flip ATOM 0 H GLN A 100 9.426 -8.345 6.901 1.00 0.00 H new ATOM 0 HA GLN A 100 9.752 -7.752 9.605 1.00 0.00 H new ATOM 0 HB2 GLN A 100 11.385 -8.651 7.672 1.00 0.00 H new ATOM 0 HB3 GLN A 100 11.923 -6.983 7.667 1.00 0.00 H new ATOM 0 HG2 GLN A 100 13.317 -7.972 9.317 1.00 0.00 H new ATOM 0 HG3 GLN A 100 12.058 -7.222 10.279 1.00 0.00 H new ATOM 0 HE21 GLN A 100 13.331 -9.359 11.405 1.00 0.00 H new ATOM 0 HE22 GLN A 100 12.270 -10.772 11.403 1.00 0.00 H new ATOM 1532 N ALA A 101 9.510 -5.112 7.764 1.00 0.00 N ATOM 1533 CA ALA A 101 9.419 -3.628 7.782 1.00 0.00 C ATOM 1534 C ALA A 101 7.963 -3.221 8.041 1.00 0.00 C ATOM 1535 O ALA A 101 7.361 -3.621 9.018 1.00 0.00 O ATOM 1536 CB ALA A 101 9.871 -3.082 6.423 1.00 0.00 C ATOM 0 H ALA A 101 9.170 -5.550 6.908 1.00 0.00 H new ATOM 0 HA ALA A 101 10.057 -3.223 8.567 1.00 0.00 H new ATOM 0 HB1 ALA A 101 9.807 -1.994 6.429 1.00 0.00 H new ATOM 0 HB2 ALA A 101 10.901 -3.384 6.234 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.227 -3.479 5.639 1.00 0.00 H new ATOM 1542 N GLY A 102 7.402 -2.435 7.160 1.00 0.00 N ATOM 1543 CA GLY A 102 5.989 -1.989 7.309 1.00 0.00 C ATOM 1544 C GLY A 102 5.132 -2.626 6.209 1.00 0.00 C ATOM 1545 O GLY A 102 3.943 -2.399 6.131 1.00 0.00 O ATOM 0 H GLY A 102 7.874 -2.078 6.329 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.609 -2.272 8.291 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.931 -0.902 7.246 1.00 0.00 H new ATOM 1549 N ALA A 103 5.729 -3.452 5.386 1.00 0.00 N ATOM 1550 CA ALA A 103 4.984 -4.167 4.293 1.00 0.00 C ATOM 1551 C ALA A 103 3.844 -4.995 4.892 1.00 0.00 C ATOM 1552 O ALA A 103 3.279 -5.848 4.237 1.00 0.00 O ATOM 1553 CB ALA A 103 5.934 -5.091 3.536 1.00 0.00 C ATOM 0 H ALA A 103 6.725 -3.668 5.424 1.00 0.00 H new ATOM 0 HA ALA A 103 4.572 -3.427 3.607 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.388 -5.606 2.746 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.740 -4.503 3.097 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.354 -5.825 4.224 1.00 0.00 H new ATOM 1559 N SER A 104 3.566 -4.782 6.148 1.00 0.00 N ATOM 1560 CA SER A 104 2.517 -5.570 6.880 1.00 0.00 C ATOM 1561 C SER A 104 1.401 -6.047 5.946 1.00 0.00 C ATOM 1562 O SER A 104 0.860 -7.119 6.139 1.00 0.00 O ATOM 1563 CB SER A 104 1.896 -4.680 7.961 1.00 0.00 C ATOM 1564 OG SER A 104 2.602 -4.859 9.181 1.00 0.00 O ATOM 0 H SER A 104 4.032 -4.076 6.719 1.00 0.00 H new ATOM 0 HA SER A 104 2.999 -6.447 7.312 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.936 -3.635 7.655 1.00 0.00 H new ATOM 0 HB3 SER A 104 0.844 -4.933 8.096 1.00 0.00 H new ATOM 0 HG SER A 104 2.208 -4.289 9.874 1.00 0.00 H new ATOM 1570 N GLY A 105 1.055 -5.289 4.938 1.00 0.00 N ATOM 1571 CA GLY A 105 -0.017 -5.734 4.006 1.00 0.00 C ATOM 1572 C GLY A 105 0.601 -6.089 2.652 1.00 0.00 C ATOM 1573 O GLY A 105 1.319 -5.306 2.061 1.00 0.00 O ATOM 0 H GLY A 105 1.469 -4.382 4.722 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -0.537 -6.599 4.419 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.759 -4.945 3.884 1.00 0.00 H new ATOM 1577 N TYR A 106 0.320 -7.258 2.150 1.00 0.00 N ATOM 1578 CA TYR A 106 0.872 -7.655 0.825 1.00 0.00 C ATOM 1579 C TYR A 106 -0.150 -8.516 0.107 1.00 0.00 C ATOM 1580 O TYR A 106 -0.530 -9.568 0.585 1.00 0.00 O ATOM 1581 CB TYR A 106 2.157 -8.469 0.982 1.00 0.00 C ATOM 1582 CG TYR A 106 2.069 -9.702 0.098 1.00 0.00 C ATOM 1583 CD1 TYR A 106 2.106 -9.583 -1.305 1.00 0.00 C ATOM 1584 CD2 TYR A 106 1.942 -10.970 0.680 1.00 0.00 C ATOM 1585 CE1 TYR A 106 2.018 -10.729 -2.105 1.00 0.00 C ATOM 1586 CE2 TYR A 106 1.854 -12.111 -0.123 1.00 0.00 C ATOM 1587 CZ TYR A 106 1.893 -11.991 -1.514 1.00 0.00 C ATOM 1588 OH TYR A 106 1.802 -13.117 -2.305 1.00 0.00 O ATOM 0 H TYR A 106 -0.270 -7.958 2.601 1.00 0.00 H new ATOM 0 HA TYR A 106 1.094 -6.749 0.261 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.021 -7.866 0.704 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.294 -8.761 2.023 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.202 -8.610 -1.763 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.912 -11.067 1.755 1.00 0.00 H new ATOM 0 HE1 TYR A 106 2.047 -10.638 -3.181 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.756 -13.085 0.332 1.00 0.00 H new ATOM 0 HH TYR A 106 1.721 -13.911 -1.736 1.00 0.00 H new ATOM 1598 N VAL A 107 -0.585 -8.085 -1.039 1.00 0.00 N ATOM 1599 CA VAL A 107 -1.574 -8.875 -1.812 1.00 0.00 C ATOM 1600 C VAL A 107 -0.964 -9.241 -3.159 1.00 0.00 C ATOM 1601 O VAL A 107 -0.437 -8.404 -3.868 1.00 0.00 O ATOM 1602 CB VAL A 107 -2.836 -8.047 -2.034 1.00 0.00 C ATOM 1603 CG1 VAL A 107 -2.473 -6.743 -2.751 1.00 0.00 C ATOM 1604 CG2 VAL A 107 -3.813 -8.858 -2.888 1.00 0.00 C ATOM 0 H VAL A 107 -0.295 -7.211 -1.477 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.834 -9.779 -1.261 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.299 -7.806 -1.077 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.375 -6.152 -2.909 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.770 -6.176 -2.141 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.016 -6.972 -3.714 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.720 -8.277 -3.054 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.351 -9.091 -3.847 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.065 -9.784 -2.372 1.00 0.00 H new ATOM 1614 N VAL A 108 -1.028 -10.483 -3.525 1.00 0.00 N ATOM 1615 CA VAL A 108 -0.453 -10.877 -4.829 1.00 0.00 C ATOM 1616 C VAL A 108 -1.494 -10.582 -5.920 1.00 0.00 C ATOM 1617 O VAL A 108 -2.479 -11.280 -6.055 1.00 0.00 O ATOM 1618 CB VAL A 108 -0.117 -12.373 -4.809 1.00 0.00 C ATOM 1619 CG1 VAL A 108 -1.152 -13.117 -3.963 1.00 0.00 C ATOM 1620 CG2 VAL A 108 -0.134 -12.932 -6.235 1.00 0.00 C ATOM 0 H VAL A 108 -1.450 -11.237 -2.982 1.00 0.00 H new ATOM 0 HA VAL A 108 0.462 -10.319 -5.029 1.00 0.00 H new ATOM 0 HB VAL A 108 0.876 -12.509 -4.381 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.914 -14.180 -3.949 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.137 -12.728 -2.945 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.144 -12.973 -4.392 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.106 -13.995 -6.212 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.124 -12.793 -6.669 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.605 -12.407 -6.841 1.00 0.00 H new ATOM 1630 N LYS A 109 -1.296 -9.542 -6.685 1.00 0.00 N ATOM 1631 CA LYS A 109 -2.285 -9.190 -7.751 1.00 0.00 C ATOM 1632 C LYS A 109 -2.278 -10.285 -8.831 1.00 0.00 C ATOM 1633 O LYS A 109 -1.313 -11.017 -8.937 1.00 0.00 O ATOM 1634 CB LYS A 109 -1.885 -7.825 -8.343 1.00 0.00 C ATOM 1635 CG LYS A 109 -1.353 -7.965 -9.780 1.00 0.00 C ATOM 1636 CD LYS A 109 -0.849 -6.602 -10.259 1.00 0.00 C ATOM 1637 CE LYS A 109 -0.120 -6.766 -11.593 1.00 0.00 C ATOM 1638 NZ LYS A 109 1.183 -7.453 -11.366 1.00 0.00 N ATOM 0 H LYS A 109 -0.491 -8.919 -6.619 1.00 0.00 H new ATOM 0 HA LYS A 109 -3.294 -9.123 -7.343 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.747 -7.158 -8.337 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.122 -7.365 -7.715 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.547 -8.698 -9.813 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -2.141 -8.328 -10.440 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.686 -5.913 -10.372 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.178 -6.169 -9.517 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -0.732 -7.344 -12.285 1.00 0.00 H new ATOM 0 HE3 LYS A 109 0.046 -5.791 -12.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 1.959 -6.844 -11.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 1.301 -7.646 -10.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 1.199 -8.349 -11.893 1.00 0.00 H new ATOM 1652 N PRO A 110 -3.323 -10.357 -9.636 1.00 0.00 N ATOM 1653 CA PRO A 110 -4.525 -9.485 -9.548 1.00 0.00 C ATOM 1654 C PRO A 110 -5.420 -9.907 -8.374 1.00 0.00 C ATOM 1655 O PRO A 110 -5.270 -10.980 -7.823 1.00 0.00 O ATOM 1656 CB PRO A 110 -5.283 -9.747 -10.858 1.00 0.00 C ATOM 1657 CG PRO A 110 -4.491 -10.812 -11.657 1.00 0.00 C ATOM 1658 CD PRO A 110 -3.353 -11.310 -10.756 1.00 0.00 C ATOM 0 HA PRO A 110 -4.253 -8.440 -9.399 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.294 -10.098 -10.651 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.377 -8.827 -11.436 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.142 -11.638 -11.945 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -4.093 -10.384 -12.577 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -3.539 -12.326 -10.407 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.403 -11.325 -11.289 1.00 0.00 H new ATOM 1666 N PHE A 111 -6.362 -9.079 -8.001 1.00 0.00 N ATOM 1667 CA PHE A 111 -7.277 -9.449 -6.879 1.00 0.00 C ATOM 1668 C PHE A 111 -8.662 -8.870 -7.114 1.00 0.00 C ATOM 1669 O PHE A 111 -8.852 -7.957 -7.893 1.00 0.00 O ATOM 1670 CB PHE A 111 -6.765 -8.893 -5.547 1.00 0.00 C ATOM 1671 CG PHE A 111 -6.419 -7.431 -5.693 1.00 0.00 C ATOM 1672 CD1 PHE A 111 -7.427 -6.453 -5.757 1.00 0.00 C ATOM 1673 CD2 PHE A 111 -5.081 -7.055 -5.781 1.00 0.00 C ATOM 1674 CE1 PHE A 111 -7.072 -5.109 -5.915 1.00 0.00 C ATOM 1675 CE2 PHE A 111 -4.730 -5.714 -5.932 1.00 0.00 C ATOM 1676 CZ PHE A 111 -5.725 -4.739 -6.003 1.00 0.00 C ATOM 0 H PHE A 111 -6.537 -8.167 -8.422 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.316 -10.538 -6.840 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -7.524 -9.020 -4.775 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.887 -9.452 -5.224 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.467 -6.737 -5.685 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -4.309 -7.808 -5.732 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.841 -4.353 -5.969 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.690 -5.431 -5.994 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.456 -3.700 -6.126 1.00 0.00 H new ATOM 1686 N THR A 112 -9.615 -9.375 -6.395 1.00 0.00 N ATOM 1687 CA THR A 112 -11.002 -8.856 -6.491 1.00 0.00 C ATOM 1688 C THR A 112 -11.257 -8.030 -5.234 1.00 0.00 C ATOM 1689 O THR A 112 -10.708 -8.313 -4.188 1.00 0.00 O ATOM 1690 CB THR A 112 -11.991 -10.022 -6.553 1.00 0.00 C ATOM 1691 OG1 THR A 112 -11.339 -11.168 -7.081 1.00 0.00 O ATOM 1692 CG2 THR A 112 -13.171 -9.643 -7.449 1.00 0.00 C ATOM 0 H THR A 112 -9.491 -10.140 -5.732 1.00 0.00 H new ATOM 0 HA THR A 112 -11.130 -8.252 -7.389 1.00 0.00 H new ATOM 0 HB THR A 112 -12.356 -10.244 -5.550 1.00 0.00 H new ATOM 0 HG1 THR A 112 -11.971 -11.916 -7.119 1.00 0.00 H new ATOM 0 HG21 THR A 112 -13.876 -10.473 -7.493 1.00 0.00 H new ATOM 0 HG22 THR A 112 -13.671 -8.765 -7.040 1.00 0.00 H new ATOM 0 HG23 THR A 112 -12.809 -9.420 -8.453 1.00 0.00 H new ATOM 1700 N ALA A 113 -12.058 -7.007 -5.316 1.00 0.00 N ATOM 1701 CA ALA A 113 -12.310 -6.174 -4.105 1.00 0.00 C ATOM 1702 C ALA A 113 -12.582 -7.082 -2.911 1.00 0.00 C ATOM 1703 O ALA A 113 -12.164 -6.803 -1.805 1.00 0.00 O ATOM 1704 CB ALA A 113 -13.512 -5.258 -4.343 1.00 0.00 C ATOM 0 H ALA A 113 -12.547 -6.711 -6.161 1.00 0.00 H new ATOM 0 HA ALA A 113 -11.432 -5.561 -3.901 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -13.690 -4.653 -3.454 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -13.309 -4.605 -5.192 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -14.394 -5.863 -4.553 1.00 0.00 H new ATOM 1710 N ALA A 114 -13.254 -8.176 -3.119 1.00 0.00 N ATOM 1711 CA ALA A 114 -13.513 -9.093 -1.981 1.00 0.00 C ATOM 1712 C ALA A 114 -12.175 -9.633 -1.491 1.00 0.00 C ATOM 1713 O ALA A 114 -11.952 -9.793 -0.307 1.00 0.00 O ATOM 1714 CB ALA A 114 -14.409 -10.247 -2.434 1.00 0.00 C ATOM 0 H ALA A 114 -13.632 -8.473 -4.019 1.00 0.00 H new ATOM 0 HA ALA A 114 -14.020 -8.560 -1.176 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -14.594 -10.915 -1.593 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -15.357 -9.850 -2.798 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.915 -10.799 -3.234 1.00 0.00 H new ATOM 1720 N THR A 115 -11.269 -9.894 -2.392 1.00 0.00 N ATOM 1721 CA THR A 115 -9.938 -10.397 -1.971 1.00 0.00 C ATOM 1722 C THR A 115 -9.202 -9.252 -1.269 1.00 0.00 C ATOM 1723 O THR A 115 -8.974 -9.315 -0.076 1.00 0.00 O ATOM 1724 CB THR A 115 -9.156 -10.877 -3.191 1.00 0.00 C ATOM 1725 OG1 THR A 115 -9.664 -12.138 -3.604 1.00 0.00 O ATOM 1726 CG2 THR A 115 -7.672 -11.014 -2.841 1.00 0.00 C ATOM 0 H THR A 115 -11.395 -9.780 -3.398 1.00 0.00 H new ATOM 0 HA THR A 115 -10.043 -11.241 -1.289 1.00 0.00 H new ATOM 0 HB THR A 115 -9.265 -10.152 -3.998 1.00 0.00 H new ATOM 0 HG1 THR A 115 -9.166 -12.450 -4.388 1.00 0.00 H new ATOM 0 HG21 THR A 115 -7.122 -11.357 -3.717 1.00 0.00 H new ATOM 0 HG22 THR A 115 -7.282 -10.047 -2.523 1.00 0.00 H new ATOM 0 HG23 THR A 115 -7.554 -11.736 -2.033 1.00 0.00 H new ATOM 1734 N LEU A 116 -8.839 -8.196 -1.976 1.00 0.00 N ATOM 1735 CA LEU A 116 -8.148 -7.069 -1.284 1.00 0.00 C ATOM 1736 C LEU A 116 -8.891 -6.751 0.017 1.00 0.00 C ATOM 1737 O LEU A 116 -8.288 -6.424 1.021 1.00 0.00 O ATOM 1738 CB LEU A 116 -8.157 -5.825 -2.172 1.00 0.00 C ATOM 1739 CG LEU A 116 -6.861 -5.029 -1.948 1.00 0.00 C ATOM 1740 CD1 LEU A 116 -5.665 -5.776 -2.547 1.00 0.00 C ATOM 1741 CD2 LEU A 116 -6.969 -3.654 -2.612 1.00 0.00 C ATOM 0 H LEU A 116 -8.991 -8.075 -2.977 1.00 0.00 H new ATOM 0 HA LEU A 116 -7.118 -7.356 -1.073 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.243 -6.113 -3.220 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -9.023 -5.205 -1.939 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.714 -4.911 -0.874 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.755 -5.199 -2.380 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.569 -6.751 -2.070 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.819 -5.909 -3.618 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -6.046 -3.097 -2.448 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.132 -3.779 -3.682 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -7.805 -3.106 -2.179 1.00 0.00 H new ATOM 1753 N GLU A 117 -10.197 -6.844 0.010 1.00 0.00 N ATOM 1754 CA GLU A 117 -10.965 -6.548 1.246 1.00 0.00 C ATOM 1755 C GLU A 117 -10.662 -7.607 2.305 1.00 0.00 C ATOM 1756 O GLU A 117 -10.403 -7.300 3.452 1.00 0.00 O ATOM 1757 CB GLU A 117 -12.463 -6.547 0.931 1.00 0.00 C ATOM 1758 CG GLU A 117 -13.261 -6.310 2.219 1.00 0.00 C ATOM 1759 CD GLU A 117 -13.467 -7.631 2.972 1.00 0.00 C ATOM 1760 OE1 GLU A 117 -13.049 -8.661 2.467 1.00 0.00 O ATOM 1761 OE2 GLU A 117 -14.042 -7.589 4.048 1.00 0.00 O ATOM 0 H GLU A 117 -10.759 -7.112 -0.798 1.00 0.00 H new ATOM 0 HA GLU A 117 -10.676 -5.568 1.625 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -12.691 -5.769 0.202 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.751 -7.498 0.483 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -12.733 -5.600 2.856 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -14.227 -5.866 1.979 1.00 0.00 H new ATOM 1768 N GLU A 118 -10.694 -8.855 1.929 1.00 0.00 N ATOM 1769 CA GLU A 118 -10.409 -9.940 2.910 1.00 0.00 C ATOM 1770 C GLU A 118 -9.140 -9.601 3.691 1.00 0.00 C ATOM 1771 O GLU A 118 -9.157 -9.473 4.899 1.00 0.00 O ATOM 1772 CB GLU A 118 -10.209 -11.262 2.165 1.00 0.00 C ATOM 1773 CG GLU A 118 -9.955 -12.385 3.172 1.00 0.00 C ATOM 1774 CD GLU A 118 -10.207 -13.736 2.503 1.00 0.00 C ATOM 1775 OE1 GLU A 118 -9.291 -14.246 1.878 1.00 0.00 O ATOM 1776 OE2 GLU A 118 -11.312 -14.238 2.623 1.00 0.00 O ATOM 0 H GLU A 118 -10.906 -9.171 0.983 1.00 0.00 H new ATOM 0 HA GLU A 118 -11.247 -10.034 3.600 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -11.090 -11.490 1.565 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -9.368 -11.180 1.477 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -8.930 -12.334 3.538 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -10.609 -12.268 4.036 1.00 0.00 H new ATOM 1783 N LYS A 119 -8.038 -9.453 3.010 1.00 0.00 N ATOM 1784 CA LYS A 119 -6.766 -9.120 3.712 1.00 0.00 C ATOM 1785 C LYS A 119 -6.961 -7.855 4.547 1.00 0.00 C ATOM 1786 O LYS A 119 -6.400 -7.711 5.616 1.00 0.00 O ATOM 1787 CB LYS A 119 -5.664 -8.882 2.678 1.00 0.00 C ATOM 1788 CG LYS A 119 -5.078 -10.225 2.236 1.00 0.00 C ATOM 1789 CD LYS A 119 -4.705 -10.155 0.753 1.00 0.00 C ATOM 1790 CE LYS A 119 -4.091 -11.487 0.317 1.00 0.00 C ATOM 1791 NZ LYS A 119 -4.105 -12.440 1.463 1.00 0.00 N ATOM 0 H LYS A 119 -7.963 -9.548 1.997 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.483 -9.946 4.365 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.068 -8.349 1.817 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.881 -8.254 3.104 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -4.198 -10.464 2.833 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -5.802 -11.023 2.403 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -5.590 -9.937 0.155 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -3.997 -9.343 0.583 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.652 -11.901 -0.521 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -3.069 -11.333 -0.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -3.688 -13.345 1.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -3.552 -12.045 2.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -5.085 -12.596 1.773 1.00 0.00 H new ATOM 1805 N LEU A 120 -7.751 -6.936 4.069 1.00 0.00 N ATOM 1806 CA LEU A 120 -7.978 -5.678 4.833 1.00 0.00 C ATOM 1807 C LEU A 120 -8.440 -6.016 6.254 1.00 0.00 C ATOM 1808 O LEU A 120 -7.705 -5.854 7.209 1.00 0.00 O ATOM 1809 CB LEU A 120 -9.046 -4.835 4.127 1.00 0.00 C ATOM 1810 CG LEU A 120 -8.872 -3.367 4.518 1.00 0.00 C ATOM 1811 CD1 LEU A 120 -7.905 -2.687 3.546 1.00 0.00 C ATOM 1812 CD2 LEU A 120 -10.224 -2.654 4.465 1.00 0.00 C ATOM 0 H LEU A 120 -8.250 -7.001 3.182 1.00 0.00 H new ATOM 0 HA LEU A 120 -7.048 -5.111 4.884 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -8.959 -4.948 3.046 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -10.041 -5.182 4.405 1.00 0.00 H new ATOM 0 HG LEU A 120 -8.472 -3.313 5.530 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -7.783 -1.641 3.827 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -6.938 -3.189 3.584 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -8.305 -2.747 2.534 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -10.095 -1.608 4.744 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -10.627 -2.712 3.454 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -10.915 -3.132 5.159 1.00 0.00 H new ATOM 1824 N ASN A 121 -9.650 -6.479 6.406 1.00 0.00 N ATOM 1825 CA ASN A 121 -10.153 -6.820 7.767 1.00 0.00 C ATOM 1826 C ASN A 121 -9.133 -7.700 8.495 1.00 0.00 C ATOM 1827 O ASN A 121 -9.171 -7.840 9.701 1.00 0.00 O ATOM 1828 CB ASN A 121 -11.479 -7.576 7.643 1.00 0.00 C ATOM 1829 CG ASN A 121 -12.605 -6.736 8.248 1.00 0.00 C ATOM 1830 OD1 ASN A 121 -12.452 -6.170 9.313 1.00 0.00 O ATOM 1831 ND2 ASN A 121 -13.738 -6.628 7.611 1.00 0.00 N ATOM 0 H ASN A 121 -10.313 -6.636 5.647 1.00 0.00 H new ATOM 0 HA ASN A 121 -10.304 -5.902 8.334 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -11.692 -7.788 6.595 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -11.412 -8.536 8.155 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -14.494 -6.069 8.006 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -13.868 -7.102 6.717 1.00 0.00 H new ATOM 1838 N LYS A 122 -8.224 -8.297 7.775 1.00 0.00 N ATOM 1839 CA LYS A 122 -7.208 -9.171 8.431 1.00 0.00 C ATOM 1840 C LYS A 122 -6.160 -8.306 9.136 1.00 0.00 C ATOM 1841 O LYS A 122 -5.620 -8.679 10.159 1.00 0.00 O ATOM 1842 CB LYS A 122 -6.521 -10.038 7.373 1.00 0.00 C ATOM 1843 CG LYS A 122 -6.031 -11.338 8.013 1.00 0.00 C ATOM 1844 CD LYS A 122 -4.858 -11.895 7.203 1.00 0.00 C ATOM 1845 CE LYS A 122 -4.561 -13.328 7.648 1.00 0.00 C ATOM 1846 NZ LYS A 122 -4.044 -13.318 9.046 1.00 0.00 N ATOM 0 H LYS A 122 -8.140 -8.218 6.762 1.00 0.00 H new ATOM 0 HA LYS A 122 -7.702 -9.809 9.163 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -7.216 -10.259 6.563 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -5.682 -9.498 6.935 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -5.722 -11.155 9.042 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -6.841 -12.066 8.048 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -5.096 -11.876 6.139 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -3.976 -11.270 7.344 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -5.465 -13.933 7.588 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -3.828 -13.783 6.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -3.731 -14.275 9.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -3.241 -12.660 9.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -4.799 -13.012 9.693 1.00 0.00 H new ATOM 1860 N ILE A 123 -5.863 -7.160 8.594 1.00 0.00 N ATOM 1861 CA ILE A 123 -4.844 -6.275 9.229 1.00 0.00 C ATOM 1862 C ILE A 123 -5.520 -5.333 10.225 1.00 0.00 C ATOM 1863 O ILE A 123 -5.024 -5.100 11.308 1.00 0.00 O ATOM 1864 CB ILE A 123 -4.148 -5.446 8.143 1.00 0.00 C ATOM 1865 CG1 ILE A 123 -2.978 -6.248 7.567 1.00 0.00 C ATOM 1866 CG2 ILE A 123 -3.621 -4.136 8.741 1.00 0.00 C ATOM 1867 CD1 ILE A 123 -2.483 -5.576 6.285 1.00 0.00 C ATOM 0 H ILE A 123 -6.281 -6.796 7.738 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.113 -6.889 9.754 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.863 -5.216 7.353 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.169 -6.306 8.296 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -3.292 -7.270 7.357 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -3.128 -3.553 7.963 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.452 -3.563 9.152 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -2.907 -4.359 9.534 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -1.650 -6.146 5.874 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -3.293 -5.541 5.557 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -2.153 -4.562 6.510 1.00 0.00 H new ATOM 1879 N PHE A 124 -6.637 -4.770 9.859 1.00 0.00 N ATOM 1880 CA PHE A 124 -7.326 -3.823 10.772 1.00 0.00 C ATOM 1881 C PHE A 124 -7.633 -4.492 12.109 1.00 0.00 C ATOM 1882 O PHE A 124 -7.821 -3.830 13.107 1.00 0.00 O ATOM 1883 CB PHE A 124 -8.613 -3.339 10.116 1.00 0.00 C ATOM 1884 CG PHE A 124 -8.262 -2.224 9.167 1.00 0.00 C ATOM 1885 CD1 PHE A 124 -7.696 -2.526 7.925 1.00 0.00 C ATOM 1886 CD2 PHE A 124 -8.480 -0.892 9.534 1.00 0.00 C ATOM 1887 CE1 PHE A 124 -7.352 -1.496 7.048 1.00 0.00 C ATOM 1888 CE2 PHE A 124 -8.132 0.139 8.655 1.00 0.00 C ATOM 1889 CZ PHE A 124 -7.569 -0.165 7.412 1.00 0.00 C ATOM 0 H PHE A 124 -7.102 -4.927 8.965 1.00 0.00 H new ATOM 0 HA PHE A 124 -6.673 -2.972 10.962 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -9.098 -4.156 9.581 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -9.317 -2.989 10.871 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -7.525 -3.555 7.644 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -8.916 -0.660 10.494 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -6.918 -1.728 6.087 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -8.298 1.168 8.936 1.00 0.00 H new ATOM 0 HZ PHE A 124 -7.301 0.630 6.732 1.00 0.00 H new ATOM 1899 N GLU A 125 -7.674 -5.792 12.155 1.00 0.00 N ATOM 1900 CA GLU A 125 -7.953 -6.460 13.454 1.00 0.00 C ATOM 1901 C GLU A 125 -6.899 -6.005 14.461 1.00 0.00 C ATOM 1902 O GLU A 125 -7.088 -6.083 15.659 1.00 0.00 O ATOM 1903 CB GLU A 125 -7.891 -7.978 13.283 1.00 0.00 C ATOM 1904 CG GLU A 125 -8.815 -8.646 14.302 1.00 0.00 C ATOM 1905 CD GLU A 125 -8.444 -10.124 14.438 1.00 0.00 C ATOM 1906 OE1 GLU A 125 -7.552 -10.421 15.215 1.00 0.00 O ATOM 1907 OE2 GLU A 125 -9.059 -10.933 13.764 1.00 0.00 O ATOM 0 H GLU A 125 -7.528 -6.415 11.360 1.00 0.00 H new ATOM 0 HA GLU A 125 -8.949 -6.193 13.808 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -8.189 -8.253 12.271 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -6.868 -8.328 13.420 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -8.728 -8.148 15.268 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -9.853 -8.549 13.985 1.00 0.00 H new ATOM 1914 N LYS A 126 -5.791 -5.516 13.974 1.00 0.00 N ATOM 1915 CA LYS A 126 -4.716 -5.032 14.883 1.00 0.00 C ATOM 1916 C LYS A 126 -4.851 -3.517 15.036 1.00 0.00 C ATOM 1917 O LYS A 126 -4.388 -2.934 15.996 1.00 0.00 O ATOM 1918 CB LYS A 126 -3.350 -5.367 14.277 1.00 0.00 C ATOM 1919 CG LYS A 126 -2.333 -5.608 15.395 1.00 0.00 C ATOM 1920 CD LYS A 126 -0.975 -5.956 14.781 1.00 0.00 C ATOM 1921 CE LYS A 126 0.119 -5.812 15.840 1.00 0.00 C ATOM 1922 NZ LYS A 126 0.864 -4.541 15.615 1.00 0.00 N ATOM 0 H LYS A 126 -5.584 -5.431 12.979 1.00 0.00 H new ATOM 0 HA LYS A 126 -4.804 -5.513 15.857 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -3.429 -6.253 13.647 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -3.015 -4.550 13.638 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -2.245 -4.719 16.019 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -2.671 -6.419 16.041 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -0.990 -6.975 14.395 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -0.767 -5.298 13.937 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -0.322 -5.816 16.837 1.00 0.00 H new ATOM 0 HE3 LYS A 126 0.802 -6.660 15.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 1.608 -4.443 16.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 1.297 -4.555 14.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 0.208 -3.737 15.683 1.00 0.00 H new ATOM 1936 N LEU A 127 -5.494 -2.878 14.094 1.00 0.00 N ATOM 1937 CA LEU A 127 -5.673 -1.401 14.178 1.00 0.00 C ATOM 1938 C LEU A 127 -6.968 -1.095 14.940 1.00 0.00 C ATOM 1939 O LEU A 127 -7.160 -0.006 15.442 1.00 0.00 O ATOM 1940 CB LEU A 127 -5.747 -0.815 12.760 1.00 0.00 C ATOM 1941 CG LEU A 127 -5.019 0.531 12.715 1.00 0.00 C ATOM 1942 CD1 LEU A 127 -5.069 1.091 11.292 1.00 0.00 C ATOM 1943 CD2 LEU A 127 -5.697 1.516 13.670 1.00 0.00 C ATOM 0 H LEU A 127 -5.903 -3.317 13.269 1.00 0.00 H new ATOM 0 HA LEU A 127 -4.830 -0.954 14.705 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -5.297 -1.506 12.047 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -6.788 -0.686 12.464 1.00 0.00 H new ATOM 0 HG LEU A 127 -3.981 0.389 13.017 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -4.551 2.049 11.260 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -4.584 0.393 10.609 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -6.108 1.230 10.992 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -5.176 2.473 13.636 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -6.736 1.657 13.370 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -5.663 1.121 14.685 1.00 0.00 H new ATOM 1955 N GLY A 128 -7.854 -2.054 15.040 1.00 0.00 N ATOM 1956 CA GLY A 128 -9.132 -1.824 15.776 1.00 0.00 C ATOM 1957 C GLY A 128 -9.726 -0.470 15.381 1.00 0.00 C ATOM 1958 O GLY A 128 -9.605 0.503 16.099 1.00 0.00 O ATOM 0 H GLY A 128 -7.746 -2.987 14.643 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -9.840 -2.621 15.550 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -8.953 -1.852 16.851 1.00 0.00 H new ATOM 1962 N MET A 129 -10.367 -0.399 14.246 1.00 0.00 N ATOM 1963 CA MET A 129 -10.968 0.893 13.809 1.00 0.00 C ATOM 1964 C MET A 129 -12.433 0.949 14.248 1.00 0.00 C ATOM 1965 O MET A 129 -13.203 0.124 13.783 1.00 0.00 O ATOM 1966 CB MET A 129 -10.887 1.002 12.285 1.00 0.00 C ATOM 1967 CG MET A 129 -9.759 1.962 11.904 1.00 0.00 C ATOM 1968 SD MET A 129 -10.249 3.657 12.304 1.00 0.00 S ATOM 1969 CE MET A 129 -8.832 4.062 13.355 1.00 0.00 C ATOM 1970 OXT MET A 129 -12.761 1.816 15.040 1.00 0.00 O ATOM 0 H MET A 129 -10.500 -1.179 13.603 1.00 0.00 H new ATOM 0 HA MET A 129 -10.422 1.720 14.262 1.00 0.00 H new ATOM 0 HB2 MET A 129 -10.707 0.020 11.848 1.00 0.00 H new ATOM 0 HB3 MET A 129 -11.835 1.360 11.884 1.00 0.00 H new ATOM 0 HG2 MET A 129 -8.847 1.700 12.440 1.00 0.00 H new ATOM 0 HG3 MET A 129 -9.539 1.877 10.840 1.00 0.00 H new ATOM 0 HE1 MET A 129 -8.865 5.119 13.618 1.00 0.00 H new ATOM 0 HE2 MET A 129 -8.869 3.461 14.263 1.00 0.00 H new ATOM 0 HE3 MET A 129 -7.908 3.850 12.817 1.00 0.00 H new