USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 867 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 48 GLN : amide:sc= -0.257 X(o=-0.5,f=-0.94) USER MOD Set 1.2: A 50 LYS NZ :NH3+ -123:sc= -0.239 (180deg=-0.843) USER MOD Set 2.1: A 35 THR OG1 : rot 180:sc= -0.255 USER MOD Set 2.2: A 37 SER OG : rot 180:sc= 0.0312 USER MOD Set 3.1: A 32 ASN : amide:sc= -4.01! C(o=-5.6!,f=-6.3!) USER MOD Set 3.2: A 41 GLN : amide:sc= -1.56 X(o=-5.6,f=-5.7!) USER MOD Set 4.1: A 2 SER OG : rot -153:sc= 0.593 USER MOD Set 4.2: A 5 THR OG1 : rot 149:sc= 1.24 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -128:sc= -0.0929 (180deg=-0.671) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -1.13 K(o=-1.1,f=-6.5!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -1.94 K(o=-1.9,f=-3.3) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl -118:sc= -0.875 (180deg=-2.93!) USER MOD Single : A 74 SER OG : rot 120:sc= 0.683 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 60:sc= 0.373 USER MOD Single : A 100 LYS NZ :NH3+ -175:sc= 0.126 (180deg=0.0782) USER MOD Single : A 106 HIS : no HD1:sc= -0.0345 X(o=-0.035,f=-0.22) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.0079) USER MOD Single : A 108 HIS : no HD1:sc=-0.00716 X(o=-0.0072,f=0) USER MOD Single : A 109 HIS : no HD1:sc= -0.325 X(o=-0.32,f=-0.2) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 111 HIS : no HD1:sc=-0.00796 X(o=-0.008,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.729 -1.280 -2.360 1.00 0.00 N ATOM 2 CA MET A 1 2.585 -0.510 -1.129 1.00 0.00 C ATOM 3 C MET A 1 3.576 0.649 -1.094 1.00 0.00 C ATOM 4 O MET A 1 4.685 0.546 -1.619 1.00 0.00 O ATOM 5 CB MET A 1 2.793 -1.412 0.089 1.00 0.00 C ATOM 6 CG MET A 1 1.770 -2.531 0.199 1.00 0.00 C ATOM 7 SD MET A 1 2.298 -3.849 1.310 1.00 0.00 S ATOM 8 CE MET A 1 0.853 -4.907 1.292 1.00 0.00 C ATOM 0 H1 MET A 1 1.801 -1.377 -2.819 1.00 0.00 H new ATOM 0 H2 MET A 1 3.383 -0.789 -3.002 1.00 0.00 H new ATOM 0 H3 MET A 1 3.106 -2.223 -2.137 1.00 0.00 H new ATOM 0 HA MET A 1 1.575 -0.102 -1.101 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.791 -1.847 0.042 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.752 -0.804 0.992 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.825 -2.120 0.553 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.586 -2.948 -0.791 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.026 -5.770 1.935 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.010 -4.350 1.656 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.663 -5.246 0.274 1.00 0.00 H new ATOM 18 N SER A 2 3.169 1.751 -0.473 1.00 0.00 N ATOM 19 CA SER A 2 4.020 2.931 -0.373 1.00 0.00 C ATOM 20 C SER A 2 3.316 4.045 0.397 1.00 0.00 C ATOM 21 O SER A 2 2.336 4.619 -0.077 1.00 0.00 O ATOM 22 CB SER A 2 4.408 3.425 -1.767 1.00 0.00 C ATOM 23 OG SER A 2 3.536 2.903 -2.755 1.00 0.00 O ATOM 0 H SER A 2 2.255 1.852 -0.031 1.00 0.00 H new ATOM 0 HA SER A 2 4.923 2.653 0.170 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.379 4.514 -1.791 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.433 3.128 -1.989 1.00 0.00 H new ATOM 0 HG SER A 2 4.006 2.854 -3.614 1.00 0.00 H new ATOM 29 N VAL A 3 3.825 4.345 1.588 1.00 0.00 N ATOM 30 CA VAL A 3 3.247 5.390 2.424 1.00 0.00 C ATOM 31 C VAL A 3 3.117 6.700 1.655 1.00 0.00 C ATOM 32 O VAL A 3 2.165 7.454 1.852 1.00 0.00 O ATOM 33 CB VAL A 3 4.095 5.631 3.687 1.00 0.00 C ATOM 34 CG1 VAL A 3 5.501 6.072 3.311 1.00 0.00 C ATOM 35 CG2 VAL A 3 3.427 6.659 4.588 1.00 0.00 C ATOM 0 H VAL A 3 4.636 3.879 1.995 1.00 0.00 H new ATOM 0 HA VAL A 3 2.256 5.046 2.721 1.00 0.00 H new ATOM 0 HB VAL A 3 4.170 4.693 4.238 1.00 0.00 H new ATOM 0 HG11 VAL A 3 6.085 6.237 4.216 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.976 5.298 2.709 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.451 6.998 2.738 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.039 6.817 5.476 1.00 0.00 H new ATOM 0 HG22 VAL A 3 3.319 7.600 4.049 1.00 0.00 H new ATOM 0 HG23 VAL A 3 2.443 6.297 4.886 1.00 0.00 H new ATOM 45 N GLU A 4 4.081 6.963 0.778 1.00 0.00 N ATOM 46 CA GLU A 4 4.073 8.183 -0.021 1.00 0.00 C ATOM 47 C GLU A 4 2.877 8.206 -0.967 1.00 0.00 C ATOM 48 O GLU A 4 2.264 9.251 -1.187 1.00 0.00 O ATOM 49 CB GLU A 4 5.372 8.303 -0.820 1.00 0.00 C ATOM 50 CG GLU A 4 6.551 8.796 0.004 1.00 0.00 C ATOM 51 CD GLU A 4 7.672 7.778 0.084 1.00 0.00 C ATOM 52 OE1 GLU A 4 8.546 7.788 -0.809 1.00 0.00 O ATOM 53 OE2 GLU A 4 7.677 6.973 1.038 1.00 0.00 O ATOM 0 H GLU A 4 4.876 6.349 0.603 1.00 0.00 H new ATOM 0 HA GLU A 4 3.993 9.032 0.658 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.618 7.330 -1.245 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.213 8.985 -1.655 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.934 9.719 -0.432 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.211 9.036 1.011 1.00 0.00 H new ATOM 60 N THR A 5 2.549 7.045 -1.527 1.00 0.00 N ATOM 61 CA THR A 5 1.428 6.931 -2.451 1.00 0.00 C ATOM 62 C THR A 5 0.102 7.176 -1.740 1.00 0.00 C ATOM 63 O THR A 5 -0.931 7.365 -2.382 1.00 0.00 O ATOM 64 CB THR A 5 1.390 5.544 -3.120 1.00 0.00 C ATOM 65 OG1 THR A 5 2.687 5.209 -3.626 1.00 0.00 O ATOM 66 CG2 THR A 5 0.376 5.518 -4.253 1.00 0.00 C ATOM 0 H THR A 5 3.045 6.170 -1.356 1.00 0.00 H new ATOM 0 HA THR A 5 1.572 7.692 -3.218 1.00 0.00 H new ATOM 0 HB THR A 5 1.092 4.811 -2.370 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.811 4.238 -3.591 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.367 4.529 -4.710 1.00 0.00 H new ATOM 0 HG22 THR A 5 -0.615 5.745 -3.860 1.00 0.00 H new ATOM 0 HG23 THR A 5 0.648 6.262 -5.002 1.00 0.00 H new ATOM 74 N ILE A 6 0.139 7.173 -0.411 1.00 0.00 N ATOM 75 CA ILE A 6 -1.060 7.396 0.386 1.00 0.00 C ATOM 76 C ILE A 6 -1.330 8.886 0.566 1.00 0.00 C ATOM 77 O ILE A 6 -2.414 9.374 0.244 1.00 0.00 O ATOM 78 CB ILE A 6 -0.945 6.736 1.773 1.00 0.00 C ATOM 79 CG1 ILE A 6 -0.153 5.430 1.676 1.00 0.00 C ATOM 80 CG2 ILE A 6 -2.328 6.480 2.354 1.00 0.00 C ATOM 81 CD1 ILE A 6 -0.718 4.454 0.668 1.00 0.00 C ATOM 0 H ILE A 6 0.986 7.019 0.135 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.889 6.941 -0.156 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.412 7.415 2.439 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.879 5.659 1.409 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.130 4.955 2.657 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.230 6.013 3.334 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.861 7.425 2.454 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.884 5.818 1.691 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.107 3.552 0.653 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.740 4.195 0.945 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.715 4.911 -0.322 1.00 0.00 H new ATOM 93 N ILE A 7 -0.337 9.604 1.081 1.00 0.00 N ATOM 94 CA ILE A 7 -0.467 11.039 1.301 1.00 0.00 C ATOM 95 C ILE A 7 -0.581 11.790 -0.022 1.00 0.00 C ATOM 96 O ILE A 7 -1.286 12.795 -0.117 1.00 0.00 O ATOM 97 CB ILE A 7 0.729 11.598 2.094 1.00 0.00 C ATOM 98 CG1 ILE A 7 0.735 11.032 3.515 1.00 0.00 C ATOM 99 CG2 ILE A 7 0.682 13.118 2.123 1.00 0.00 C ATOM 100 CD1 ILE A 7 -0.458 11.462 4.341 1.00 0.00 C ATOM 0 H ILE A 7 0.566 9.215 1.353 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.378 11.188 1.881 1.00 0.00 H new ATOM 0 HB ILE A 7 1.650 11.293 1.598 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.758 9.943 3.464 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.649 11.347 4.019 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.534 13.498 2.687 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.721 13.503 1.104 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.243 13.444 2.599 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.388 11.024 5.337 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.471 12.549 4.423 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.375 11.123 3.859 1.00 0.00 H new ATOM 112 N GLU A 8 0.115 11.294 -1.040 1.00 0.00 N ATOM 113 CA GLU A 8 0.090 11.918 -2.357 1.00 0.00 C ATOM 114 C GLU A 8 -1.341 12.228 -2.786 1.00 0.00 C ATOM 115 O GLU A 8 -1.619 13.297 -3.329 1.00 0.00 O ATOM 116 CB GLU A 8 0.757 11.007 -3.390 1.00 0.00 C ATOM 117 CG GLU A 8 2.032 11.587 -3.980 1.00 0.00 C ATOM 118 CD GLU A 8 1.986 11.679 -5.493 1.00 0.00 C ATOM 119 OE1 GLU A 8 2.666 10.869 -6.157 1.00 0.00 O ATOM 120 OE2 GLU A 8 1.270 12.560 -6.013 1.00 0.00 O ATOM 0 H GLU A 8 0.703 10.463 -0.978 1.00 0.00 H new ATOM 0 HA GLU A 8 0.644 12.855 -2.297 1.00 0.00 H new ATOM 0 HB2 GLU A 8 0.986 10.049 -2.923 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.051 10.808 -4.196 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.201 12.580 -3.564 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.879 10.969 -3.683 1.00 0.00 H new ATOM 127 N ARG A 9 -2.244 11.286 -2.537 1.00 0.00 N ATOM 128 CA ARG A 9 -3.646 11.457 -2.899 1.00 0.00 C ATOM 129 C ARG A 9 -4.302 12.534 -2.038 1.00 0.00 C ATOM 130 O ARG A 9 -5.131 13.307 -2.519 1.00 0.00 O ATOM 131 CB ARG A 9 -4.400 10.135 -2.743 1.00 0.00 C ATOM 132 CG ARG A 9 -3.645 8.935 -3.289 1.00 0.00 C ATOM 133 CD ARG A 9 -4.592 7.903 -3.881 1.00 0.00 C ATOM 134 NE ARG A 9 -4.558 7.902 -5.341 1.00 0.00 N ATOM 135 CZ ARG A 9 -5.524 7.393 -6.098 1.00 0.00 C ATOM 136 NH1 ARG A 9 -6.593 6.847 -5.536 1.00 0.00 N ATOM 137 NH2 ARG A 9 -5.421 7.429 -7.420 1.00 0.00 N ATOM 0 H ARG A 9 -2.030 10.396 -2.086 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.691 11.772 -3.942 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.612 9.970 -1.687 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.360 10.212 -3.253 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -2.940 9.264 -4.053 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -3.060 8.478 -2.491 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -4.326 6.913 -3.512 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -5.608 8.107 -3.542 1.00 0.00 H new ATOM 0 HE ARG A 9 -3.749 8.315 -5.805 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -6.676 6.817 -4.520 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -7.333 6.457 -6.120 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -4.600 7.848 -7.856 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -6.163 7.038 -8.000 1.00 0.00 H new ATOM 151 N ILE A 10 -3.925 12.577 -0.765 1.00 0.00 N ATOM 152 CA ILE A 10 -4.476 13.558 0.162 1.00 0.00 C ATOM 153 C ILE A 10 -4.094 14.976 -0.249 1.00 0.00 C ATOM 154 O ILE A 10 -4.953 15.847 -0.390 1.00 0.00 O ATOM 155 CB ILE A 10 -3.994 13.305 1.602 1.00 0.00 C ATOM 156 CG1 ILE A 10 -4.613 12.018 2.152 1.00 0.00 C ATOM 157 CG2 ILE A 10 -4.341 14.488 2.493 1.00 0.00 C ATOM 158 CD1 ILE A 10 -4.019 11.577 3.471 1.00 0.00 C ATOM 0 H ILE A 10 -3.240 11.944 -0.352 1.00 0.00 H new ATOM 0 HA ILE A 10 -5.560 13.451 0.127 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.910 13.189 1.591 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -5.686 12.165 2.277 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.484 11.221 1.420 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.994 14.294 3.508 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.857 15.386 2.110 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.421 14.633 2.501 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.506 10.659 3.800 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.951 11.397 3.347 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.172 12.356 4.218 1.00 0.00 H new ATOM 170 N LYS A 11 -2.799 15.202 -0.441 1.00 0.00 N ATOM 171 CA LYS A 11 -2.301 16.513 -0.838 1.00 0.00 C ATOM 172 C LYS A 11 -2.811 16.891 -2.225 1.00 0.00 C ATOM 173 O LYS A 11 -3.194 18.036 -2.465 1.00 0.00 O ATOM 174 CB LYS A 11 -0.771 16.526 -0.825 1.00 0.00 C ATOM 175 CG LYS A 11 -0.167 15.847 0.392 1.00 0.00 C ATOM 176 CD LYS A 11 1.344 15.999 0.423 1.00 0.00 C ATOM 177 CE LYS A 11 1.756 17.462 0.474 1.00 0.00 C ATOM 178 NZ LYS A 11 2.542 17.859 -0.728 1.00 0.00 N ATOM 0 H LYS A 11 -2.075 14.493 -0.328 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.670 17.247 -0.121 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.404 16.033 -1.725 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.424 17.559 -0.864 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.595 16.275 1.298 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.427 14.788 0.386 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.746 15.476 1.291 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.776 15.529 -0.460 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.866 18.087 0.549 1.00 0.00 H new ATOM 0 HE3 LYS A 11 2.349 17.641 1.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.804 18.863 -0.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.404 17.280 -0.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.968 17.712 -1.582 1.00 0.00 H new ATOM 192 N ALA A 12 -2.814 15.922 -3.134 1.00 0.00 N ATOM 193 CA ALA A 12 -3.280 16.153 -4.496 1.00 0.00 C ATOM 194 C ALA A 12 -4.772 16.467 -4.519 1.00 0.00 C ATOM 195 O ALA A 12 -5.246 17.210 -5.379 1.00 0.00 O ATOM 196 CB ALA A 12 -2.980 14.943 -5.369 1.00 0.00 C ATOM 0 H ALA A 12 -2.499 14.969 -2.952 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.747 17.016 -4.895 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.333 15.129 -6.383 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.905 14.764 -5.386 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.487 14.067 -4.964 1.00 0.00 H new ATOM 202 N ARG A 13 -5.508 15.897 -3.570 1.00 0.00 N ATOM 203 CA ARG A 13 -6.946 16.116 -3.484 1.00 0.00 C ATOM 204 C ARG A 13 -7.254 17.438 -2.788 1.00 0.00 C ATOM 205 O ARG A 13 -7.963 18.287 -3.330 1.00 0.00 O ATOM 206 CB ARG A 13 -7.614 14.963 -2.731 1.00 0.00 C ATOM 207 CG ARG A 13 -7.758 13.697 -3.560 1.00 0.00 C ATOM 208 CD ARG A 13 -9.063 13.688 -4.341 1.00 0.00 C ATOM 209 NE ARG A 13 -10.212 13.410 -3.484 1.00 0.00 N ATOM 210 CZ ARG A 13 -11.473 13.577 -3.868 1.00 0.00 C ATOM 211 NH1 ARG A 13 -11.745 14.019 -5.088 1.00 0.00 N ATOM 212 NH2 ARG A 13 -12.465 13.302 -3.030 1.00 0.00 N ATOM 0 H ARG A 13 -5.131 15.280 -2.850 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.343 16.158 -4.498 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.032 14.738 -1.838 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.601 15.282 -2.396 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.919 13.616 -4.251 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.718 12.826 -2.906 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.200 14.653 -4.829 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.009 12.937 -5.129 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.037 13.069 -2.539 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.985 14.232 -5.735 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.714 14.146 -5.380 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.260 12.962 -2.090 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.433 13.431 -3.326 1.00 0.00 H new ATOM 226 N VAL A 14 -6.717 17.606 -1.583 1.00 0.00 N ATOM 227 CA VAL A 14 -6.934 18.825 -0.813 1.00 0.00 C ATOM 228 C VAL A 14 -6.727 20.065 -1.676 1.00 0.00 C ATOM 229 O VAL A 14 -7.524 21.001 -1.639 1.00 0.00 O ATOM 230 CB VAL A 14 -5.992 18.896 0.403 1.00 0.00 C ATOM 231 CG1 VAL A 14 -6.412 17.890 1.463 1.00 0.00 C ATOM 232 CG2 VAL A 14 -4.551 18.661 -0.026 1.00 0.00 C ATOM 0 H VAL A 14 -6.129 16.913 -1.120 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.966 18.798 -0.463 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.060 19.894 0.836 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.735 17.955 2.315 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.428 18.109 1.790 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -6.374 16.884 1.045 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.899 18.715 0.846 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.464 17.676 -0.484 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -4.257 19.424 -0.747 1.00 0.00 H new ATOM 242 N GLY A 15 -5.648 20.064 -2.454 1.00 0.00 N ATOM 243 CA GLY A 15 -5.354 21.194 -3.316 1.00 0.00 C ATOM 244 C GLY A 15 -6.544 21.603 -4.161 1.00 0.00 C ATOM 245 O GLY A 15 -6.680 22.768 -4.532 1.00 0.00 O ATOM 0 H GLY A 15 -4.973 19.301 -2.502 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.038 22.040 -2.706 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.518 20.942 -3.969 1.00 0.00 H new ATOM 249 N ALA A 16 -7.408 20.641 -4.469 1.00 0.00 N ATOM 250 CA ALA A 16 -8.592 20.906 -5.276 1.00 0.00 C ATOM 251 C ALA A 16 -9.851 20.922 -4.416 1.00 0.00 C ATOM 252 O ALA A 16 -10.806 21.642 -4.709 1.00 0.00 O ATOM 253 CB ALA A 16 -8.720 19.870 -6.383 1.00 0.00 C ATOM 0 H ALA A 16 -7.310 19.670 -4.171 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.479 21.892 -5.727 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -9.609 20.081 -6.978 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.838 19.910 -7.022 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.805 18.876 -5.943 1.00 0.00 H new ATOM 259 N VAL A 17 -9.845 20.124 -3.353 1.00 0.00 N ATOM 260 CA VAL A 17 -10.987 20.047 -2.449 1.00 0.00 C ATOM 261 C VAL A 17 -11.421 21.435 -1.992 1.00 0.00 C ATOM 262 O VAL A 17 -10.596 22.337 -1.843 1.00 0.00 O ATOM 263 CB VAL A 17 -10.666 19.188 -1.212 1.00 0.00 C ATOM 264 CG1 VAL A 17 -11.867 19.125 -0.280 1.00 0.00 C ATOM 265 CG2 VAL A 17 -10.232 17.792 -1.631 1.00 0.00 C ATOM 0 H VAL A 17 -9.063 19.522 -3.097 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.800 19.580 -3.005 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.841 19.653 -0.672 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -11.622 18.514 0.589 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -12.127 20.132 0.047 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -12.713 18.684 -0.807 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -10.009 17.199 -0.744 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -11.034 17.315 -2.194 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.341 17.860 -2.255 1.00 0.00 H new ATOM 275 N ASP A 18 -12.720 21.600 -1.769 1.00 0.00 N ATOM 276 CA ASP A 18 -13.264 22.878 -1.327 1.00 0.00 C ATOM 277 C ASP A 18 -13.507 22.874 0.179 1.00 0.00 C ATOM 278 O ASP A 18 -13.609 21.823 0.813 1.00 0.00 O ATOM 279 CB ASP A 18 -14.568 23.185 -2.065 1.00 0.00 C ATOM 280 CG ASP A 18 -14.387 24.226 -3.152 1.00 0.00 C ATOM 281 OD1 ASP A 18 -15.095 24.142 -4.178 1.00 0.00 O ATOM 282 OD2 ASP A 18 -13.539 25.125 -2.976 1.00 0.00 O ATOM 0 H ASP A 18 -13.416 20.864 -1.887 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.534 23.654 -1.557 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -14.957 22.267 -2.506 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -15.313 23.536 -1.350 1.00 0.00 H new ATOM 287 N PRO A 19 -13.600 24.075 0.768 1.00 0.00 N ATOM 288 CA PRO A 19 -13.831 24.236 2.206 1.00 0.00 C ATOM 289 C PRO A 19 -15.238 23.817 2.618 1.00 0.00 C ATOM 290 O PRO A 19 -15.430 23.199 3.664 1.00 0.00 O ATOM 291 CB PRO A 19 -13.633 25.738 2.431 1.00 0.00 C ATOM 292 CG PRO A 19 -13.934 26.361 1.112 1.00 0.00 C ATOM 293 CD PRO A 19 -13.488 25.369 0.074 1.00 0.00 C ATOM 0 HA PRO A 19 -13.163 23.610 2.798 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -14.300 26.113 3.207 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.615 25.960 2.750 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.998 26.575 1.015 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.407 27.308 0.998 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.120 25.405 -0.814 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -12.467 25.562 -0.254 1.00 0.00 H new ATOM 301 N ASN A 20 -16.219 24.156 1.788 1.00 0.00 N ATOM 302 CA ASN A 20 -17.609 23.814 2.067 1.00 0.00 C ATOM 303 C ASN A 20 -17.863 22.330 1.821 1.00 0.00 C ATOM 304 O ASN A 20 -18.883 21.786 2.244 1.00 0.00 O ATOM 305 CB ASN A 20 -18.546 24.655 1.198 1.00 0.00 C ATOM 306 CG ASN A 20 -19.087 25.865 1.934 1.00 0.00 C ATOM 307 OD1 ASN A 20 -20.263 25.912 2.295 1.00 0.00 O ATOM 308 ND2 ASN A 20 -18.228 26.852 2.161 1.00 0.00 N ATOM 0 H ASN A 20 -16.077 24.667 0.917 1.00 0.00 H new ATOM 0 HA ASN A 20 -17.808 24.029 3.117 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -18.012 24.984 0.306 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -19.378 24.036 0.861 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -18.534 27.692 2.653 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -17.262 26.770 1.844 1.00 0.00 H new ATOM 315 N GLY A 21 -16.928 21.680 1.135 1.00 0.00 N ATOM 316 CA GLY A 21 -17.069 20.265 0.845 1.00 0.00 C ATOM 317 C GLY A 21 -17.399 19.451 2.080 1.00 0.00 C ATOM 318 O GLY A 21 -18.482 18.877 2.201 1.00 0.00 O ATOM 0 H GLY A 21 -16.075 22.108 0.775 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -17.854 20.126 0.101 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -16.144 19.893 0.405 1.00 0.00 H new ATOM 322 N PRO A 22 -16.449 19.391 3.026 1.00 0.00 N ATOM 323 CA PRO A 22 -16.621 18.641 4.274 1.00 0.00 C ATOM 324 C PRO A 22 -17.642 19.289 5.203 1.00 0.00 C ATOM 325 O PRO A 22 -18.355 20.212 4.810 1.00 0.00 O ATOM 326 CB PRO A 22 -15.226 18.678 4.904 1.00 0.00 C ATOM 327 CG PRO A 22 -14.588 19.901 4.341 1.00 0.00 C ATOM 328 CD PRO A 22 -15.135 20.050 2.948 1.00 0.00 C ATOM 0 HA PRO A 22 -16.997 17.634 4.096 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -15.284 18.727 5.991 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -14.655 17.783 4.655 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -14.820 20.777 4.947 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -13.503 19.803 4.326 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -15.227 21.098 2.662 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -14.490 19.574 2.210 1.00 0.00 H new ATOM 336 N ARG A 23 -17.707 18.799 6.437 1.00 0.00 N ATOM 337 CA ARG A 23 -18.641 19.331 7.421 1.00 0.00 C ATOM 338 C ARG A 23 -18.095 20.606 8.057 1.00 0.00 C ATOM 339 O ARG A 23 -16.913 20.921 7.924 1.00 0.00 O ATOM 340 CB ARG A 23 -18.922 18.287 8.504 1.00 0.00 C ATOM 341 CG ARG A 23 -19.493 16.987 7.964 1.00 0.00 C ATOM 342 CD ARG A 23 -18.393 16.042 7.508 1.00 0.00 C ATOM 343 NE ARG A 23 -18.511 14.724 8.127 1.00 0.00 N ATOM 344 CZ ARG A 23 -17.560 13.798 8.072 1.00 0.00 C ATOM 345 NH1 ARG A 23 -16.427 14.045 7.430 1.00 0.00 N ATOM 346 NH2 ARG A 23 -17.742 12.623 8.661 1.00 0.00 N ATOM 0 H ARG A 23 -17.124 18.035 6.778 1.00 0.00 H new ATOM 0 HA ARG A 23 -19.572 19.573 6.908 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -17.997 18.073 9.039 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -19.619 18.707 9.229 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -20.093 16.504 8.735 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -20.160 17.201 7.129 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -18.431 15.938 6.424 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -17.422 16.472 7.753 1.00 0.00 H new ATOM 0 HE ARG A 23 -19.371 14.503 8.629 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -16.284 14.948 6.977 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -15.698 13.333 7.389 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.613 12.430 9.156 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -17.011 11.913 8.618 1.00 0.00 H new ATOM 360 N LYS A 24 -18.964 21.335 8.748 1.00 0.00 N ATOM 361 CA LYS A 24 -18.571 22.576 9.406 1.00 0.00 C ATOM 362 C LYS A 24 -17.556 22.306 10.512 1.00 0.00 C ATOM 363 O LYS A 24 -17.923 22.088 11.666 1.00 0.00 O ATOM 364 CB LYS A 24 -19.798 23.281 9.987 1.00 0.00 C ATOM 365 CG LYS A 24 -19.659 24.792 10.048 1.00 0.00 C ATOM 366 CD LYS A 24 -19.992 25.327 11.431 1.00 0.00 C ATOM 367 CE LYS A 24 -19.687 26.813 11.543 1.00 0.00 C ATOM 368 NZ LYS A 24 -18.518 27.075 12.428 1.00 0.00 N ATOM 0 H LYS A 24 -19.946 21.088 8.867 1.00 0.00 H new ATOM 0 HA LYS A 24 -18.108 23.222 8.660 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -20.671 23.029 9.385 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -19.983 22.901 10.992 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -18.641 25.076 9.783 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -20.319 25.249 9.311 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -21.047 25.154 11.645 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -19.421 24.780 12.181 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -19.489 27.219 10.551 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -20.561 27.335 11.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -18.343 28.099 12.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -18.716 26.711 13.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -17.678 26.599 12.043 1.00 0.00 H new ATOM 382 N VAL A 25 -16.276 22.325 10.152 1.00 0.00 N ATOM 383 CA VAL A 25 -15.207 22.086 11.115 1.00 0.00 C ATOM 384 C VAL A 25 -13.954 22.873 10.751 1.00 0.00 C ATOM 385 O VAL A 25 -13.878 23.482 9.683 1.00 0.00 O ATOM 386 CB VAL A 25 -14.854 20.589 11.200 1.00 0.00 C ATOM 387 CG1 VAL A 25 -16.065 19.778 11.637 1.00 0.00 C ATOM 388 CG2 VAL A 25 -14.322 20.091 9.865 1.00 0.00 C ATOM 0 H VAL A 25 -15.954 22.503 9.201 1.00 0.00 H new ATOM 0 HA VAL A 25 -15.573 22.421 12.085 1.00 0.00 H new ATOM 0 HB VAL A 25 -14.072 20.460 11.948 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -15.796 18.723 11.691 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -16.397 20.119 12.618 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -16.871 19.910 10.915 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -14.078 19.032 9.943 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -15.081 20.233 9.095 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -13.426 20.651 9.599 1.00 0.00 H new ATOM 398 N LEU A 26 -12.971 22.856 11.645 1.00 0.00 N ATOM 399 CA LEU A 26 -11.718 23.568 11.419 1.00 0.00 C ATOM 400 C LEU A 26 -10.699 23.235 12.504 1.00 0.00 C ATOM 401 O LEU A 26 -10.947 23.450 13.689 1.00 0.00 O ATOM 402 CB LEU A 26 -11.966 25.077 11.381 1.00 0.00 C ATOM 403 CG LEU A 26 -12.446 25.711 12.687 1.00 0.00 C ATOM 404 CD1 LEU A 26 -11.393 26.660 13.238 1.00 0.00 C ATOM 405 CD2 LEU A 26 -13.764 26.441 12.472 1.00 0.00 C ATOM 0 H LEU A 26 -13.018 22.357 12.533 1.00 0.00 H new ATOM 0 HA LEU A 26 -11.315 23.248 10.458 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -11.042 25.570 11.080 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.705 25.284 10.607 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.608 24.917 13.416 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.752 27.102 14.168 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.472 26.110 13.430 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.199 27.450 12.512 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -14.091 26.886 13.412 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -13.628 27.225 11.727 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -14.518 25.735 12.123 1.00 0.00 H new ATOM 417 N GLY A 27 -9.550 22.711 12.089 1.00 0.00 N ATOM 418 CA GLY A 27 -8.509 22.359 13.037 1.00 0.00 C ATOM 419 C GLY A 27 -7.369 21.598 12.391 1.00 0.00 C ATOM 420 O GLY A 27 -7.182 21.659 11.176 1.00 0.00 O ATOM 0 H GLY A 27 -9.321 22.524 11.113 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.120 23.267 13.498 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.939 21.754 13.836 1.00 0.00 H new ATOM 424 N VAL A 28 -6.602 20.880 13.206 1.00 0.00 N ATOM 425 CA VAL A 28 -5.473 20.104 12.707 1.00 0.00 C ATOM 426 C VAL A 28 -5.489 18.687 13.269 1.00 0.00 C ATOM 427 O VAL A 28 -5.975 18.452 14.375 1.00 0.00 O ATOM 428 CB VAL A 28 -4.132 20.772 13.064 1.00 0.00 C ATOM 429 CG1 VAL A 28 -3.003 20.183 12.231 1.00 0.00 C ATOM 430 CG2 VAL A 28 -4.218 22.278 12.870 1.00 0.00 C ATOM 0 H VAL A 28 -6.742 20.820 14.215 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.572 20.062 11.622 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.917 20.576 14.114 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.064 20.667 12.497 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.927 19.113 12.425 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.208 20.346 11.173 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.262 22.733 13.127 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.456 22.498 11.829 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.998 22.684 13.514 1.00 0.00 H new ATOM 440 N PHE A 29 -4.953 17.746 12.499 1.00 0.00 N ATOM 441 CA PHE A 29 -4.905 16.350 12.920 1.00 0.00 C ATOM 442 C PHE A 29 -3.498 15.781 12.758 1.00 0.00 C ATOM 443 O PHE A 29 -2.726 16.239 11.917 1.00 0.00 O ATOM 444 CB PHE A 29 -5.901 15.517 12.110 1.00 0.00 C ATOM 445 CG PHE A 29 -7.238 15.366 12.777 1.00 0.00 C ATOM 446 CD1 PHE A 29 -7.755 14.109 13.046 1.00 0.00 C ATOM 447 CD2 PHE A 29 -7.979 16.481 13.134 1.00 0.00 C ATOM 448 CE1 PHE A 29 -8.985 13.967 13.660 1.00 0.00 C ATOM 449 CE2 PHE A 29 -9.209 16.345 13.748 1.00 0.00 C ATOM 450 CZ PHE A 29 -9.713 15.086 14.010 1.00 0.00 C ATOM 0 H PHE A 29 -4.546 17.924 11.581 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.177 16.305 13.975 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.041 15.981 11.134 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.477 14.528 11.935 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.190 13.230 12.773 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.591 17.468 12.930 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.376 12.982 13.866 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -9.776 17.222 14.023 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.675 14.977 14.488 1.00 0.00 H new ATOM 460 N GLN A 30 -3.174 14.781 13.572 1.00 0.00 N ATOM 461 CA GLN A 30 -1.861 14.150 13.520 1.00 0.00 C ATOM 462 C GLN A 30 -1.980 12.675 13.151 1.00 0.00 C ATOM 463 O GLN A 30 -2.382 11.849 13.972 1.00 0.00 O ATOM 464 CB GLN A 30 -1.148 14.296 14.865 1.00 0.00 C ATOM 465 CG GLN A 30 0.312 13.874 14.829 1.00 0.00 C ATOM 466 CD GLN A 30 1.051 14.432 13.629 1.00 0.00 C ATOM 467 OE1 GLN A 30 0.778 15.545 13.179 1.00 0.00 O ATOM 468 NE2 GLN A 30 1.994 13.659 13.103 1.00 0.00 N ATOM 0 H GLN A 30 -3.802 14.391 14.275 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.275 14.652 12.750 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.209 15.335 15.188 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.672 13.699 15.611 1.00 0.00 H new ATOM 0 HG2 GLN A 30 0.805 14.207 15.742 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.371 12.786 14.814 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.187 12.743 13.508 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.525 13.981 12.294 1.00 0.00 H new ATOM 477 N LEU A 31 -1.629 12.350 11.912 1.00 0.00 N ATOM 478 CA LEU A 31 -1.696 10.973 11.434 1.00 0.00 C ATOM 479 C LEU A 31 -0.360 10.263 11.627 1.00 0.00 C ATOM 480 O LEU A 31 0.700 10.883 11.552 1.00 0.00 O ATOM 481 CB LEU A 31 -2.093 10.945 9.957 1.00 0.00 C ATOM 482 CG LEU A 31 -3.540 11.325 9.643 1.00 0.00 C ATOM 483 CD1 LEU A 31 -3.630 12.010 8.288 1.00 0.00 C ATOM 484 CD2 LEU A 31 -4.435 10.095 9.681 1.00 0.00 C ATOM 0 H LEU A 31 -1.295 13.021 11.220 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.452 10.448 12.018 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.435 11.621 9.412 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.910 9.942 9.571 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.885 12.024 10.405 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.667 12.273 8.082 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.021 12.914 8.296 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.266 11.334 7.514 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.461 10.385 9.455 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.091 9.372 8.942 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.395 9.646 10.674 1.00 0.00 H new ATOM 496 N ASN A 32 -0.419 8.959 11.875 1.00 0.00 N ATOM 497 CA ASN A 32 0.786 8.164 12.077 1.00 0.00 C ATOM 498 C ASN A 32 0.638 6.781 11.449 1.00 0.00 C ATOM 499 O ASN A 32 -0.361 6.095 11.663 1.00 0.00 O ATOM 500 CB ASN A 32 1.088 8.027 13.571 1.00 0.00 C ATOM 501 CG ASN A 32 0.617 9.229 14.368 1.00 0.00 C ATOM 502 OD1 ASN A 32 0.987 10.366 14.075 1.00 0.00 O ATOM 503 ND2 ASN A 32 -0.204 8.981 15.382 1.00 0.00 N ATOM 0 H ASN A 32 -1.289 8.430 11.941 1.00 0.00 H new ATOM 0 HA ASN A 32 1.615 8.678 11.591 1.00 0.00 H new ATOM 0 HB2 ASN A 32 0.606 7.128 13.955 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.161 7.899 13.712 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.554 9.749 15.954 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.484 8.022 15.588 1.00 0.00 H new ATOM 510 N ILE A 33 1.640 6.380 10.673 1.00 0.00 N ATOM 511 CA ILE A 33 1.621 5.079 10.015 1.00 0.00 C ATOM 512 C ILE A 33 2.310 4.021 10.871 1.00 0.00 C ATOM 513 O ILE A 33 3.125 4.340 11.736 1.00 0.00 O ATOM 514 CB ILE A 33 2.308 5.136 8.638 1.00 0.00 C ATOM 515 CG1 ILE A 33 1.909 6.414 7.897 1.00 0.00 C ATOM 516 CG2 ILE A 33 1.948 3.907 7.816 1.00 0.00 C ATOM 517 CD1 ILE A 33 0.440 6.472 7.540 1.00 0.00 C ATOM 0 H ILE A 33 2.474 6.936 10.485 1.00 0.00 H new ATOM 0 HA ILE A 33 0.574 4.808 9.879 1.00 0.00 H new ATOM 0 HB ILE A 33 3.388 5.147 8.787 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.159 7.276 8.516 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.500 6.495 6.985 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.441 3.961 6.845 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.277 3.010 8.340 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.868 3.869 7.673 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.229 7.405 7.017 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.189 5.630 6.895 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.158 6.423 8.450 1.00 0.00 H new ATOM 529 N LYS A 34 1.977 2.759 10.622 1.00 0.00 N ATOM 530 CA LYS A 34 2.564 1.651 11.366 1.00 0.00 C ATOM 531 C LYS A 34 3.357 0.734 10.441 1.00 0.00 C ATOM 532 O LYS A 34 2.783 -0.009 9.644 1.00 0.00 O ATOM 533 CB LYS A 34 1.470 0.852 12.079 1.00 0.00 C ATOM 534 CG LYS A 34 1.908 -0.541 12.494 1.00 0.00 C ATOM 535 CD LYS A 34 1.354 -0.917 13.859 1.00 0.00 C ATOM 536 CE LYS A 34 -0.015 -1.569 13.744 1.00 0.00 C ATOM 537 NZ LYS A 34 -0.643 -1.779 15.078 1.00 0.00 N ATOM 0 H LYS A 34 1.303 2.478 9.910 1.00 0.00 H new ATOM 0 HA LYS A 34 3.245 2.066 12.109 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.148 1.401 12.964 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.604 0.771 11.422 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.572 -1.265 11.752 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.997 -0.589 12.516 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.043 -1.600 14.357 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.283 -0.026 14.482 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.665 -0.944 13.131 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.081 -2.527 13.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.574 -2.225 14.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.036 -2.396 15.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.758 -0.862 15.556 1.00 0.00 H new ATOM 551 N THR A 35 4.680 0.789 10.552 1.00 0.00 N ATOM 552 CA THR A 35 5.552 -0.037 9.726 1.00 0.00 C ATOM 553 C THR A 35 6.641 -0.697 10.564 1.00 0.00 C ATOM 554 O THR A 35 6.858 -0.328 11.718 1.00 0.00 O ATOM 555 CB THR A 35 6.213 0.789 8.606 1.00 0.00 C ATOM 556 OG1 THR A 35 7.007 -0.062 7.773 1.00 0.00 O ATOM 557 CG2 THR A 35 7.083 1.893 9.188 1.00 0.00 C ATOM 0 H THR A 35 5.172 1.397 11.206 1.00 0.00 H new ATOM 0 HA THR A 35 4.925 -0.808 9.278 1.00 0.00 H new ATOM 0 HB THR A 35 5.424 1.247 8.009 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.422 0.470 7.063 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.539 2.462 8.378 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.469 2.557 9.797 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.865 1.452 9.806 1.00 0.00 H new ATOM 565 N ALA A 36 7.322 -1.675 9.977 1.00 0.00 N ATOM 566 CA ALA A 36 8.391 -2.384 10.669 1.00 0.00 C ATOM 567 C ALA A 36 9.583 -1.469 10.923 1.00 0.00 C ATOM 568 O ALA A 36 10.377 -1.705 11.834 1.00 0.00 O ATOM 569 CB ALA A 36 8.820 -3.604 9.868 1.00 0.00 C ATOM 0 H ALA A 36 7.152 -1.995 9.023 1.00 0.00 H new ATOM 0 HA ALA A 36 8.008 -2.714 11.635 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.619 -4.124 10.397 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.970 -4.275 9.744 1.00 0.00 H new ATOM 0 HB3 ALA A 36 9.179 -3.288 8.888 1.00 0.00 H new ATOM 575 N SER A 37 9.704 -0.423 10.111 1.00 0.00 N ATOM 576 CA SER A 37 10.804 0.525 10.245 1.00 0.00 C ATOM 577 C SER A 37 10.517 1.536 11.352 1.00 0.00 C ATOM 578 O SER A 37 11.427 2.186 11.865 1.00 0.00 O ATOM 579 CB SER A 37 11.040 1.255 8.921 1.00 0.00 C ATOM 580 OG SER A 37 10.436 0.562 7.842 1.00 0.00 O ATOM 0 H SER A 37 9.054 -0.211 9.354 1.00 0.00 H new ATOM 0 HA SER A 37 11.702 -0.033 10.509 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.634 2.265 8.981 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.111 1.352 8.741 1.00 0.00 H new ATOM 0 HG SER A 37 10.600 1.049 7.008 1.00 0.00 H new ATOM 586 N GLY A 38 9.244 1.662 11.714 1.00 0.00 N ATOM 587 CA GLY A 38 8.859 2.595 12.757 1.00 0.00 C ATOM 588 C GLY A 38 7.447 3.117 12.575 1.00 0.00 C ATOM 589 O GLY A 38 6.502 2.340 12.446 1.00 0.00 O ATOM 0 H GLY A 38 8.473 1.135 11.304 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.940 2.104 13.727 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.555 3.434 12.765 1.00 0.00 H new ATOM 593 N VAL A 39 7.303 4.439 12.567 1.00 0.00 N ATOM 594 CA VAL A 39 5.997 5.064 12.401 1.00 0.00 C ATOM 595 C VAL A 39 6.113 6.391 11.659 1.00 0.00 C ATOM 596 O VAL A 39 6.727 7.337 12.152 1.00 0.00 O ATOM 597 CB VAL A 39 5.313 5.307 13.759 1.00 0.00 C ATOM 598 CG1 VAL A 39 4.181 6.312 13.616 1.00 0.00 C ATOM 599 CG2 VAL A 39 4.804 3.996 14.340 1.00 0.00 C ATOM 0 H VAL A 39 8.075 5.097 12.674 1.00 0.00 H new ATOM 0 HA VAL A 39 5.389 4.374 11.815 1.00 0.00 H new ATOM 0 HB VAL A 39 6.049 5.722 14.448 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.710 6.470 14.586 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.578 7.258 13.247 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.442 5.930 12.912 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.323 4.186 15.300 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.083 3.550 13.655 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.641 3.312 14.482 1.00 0.00 H new ATOM 609 N GLU A 40 5.520 6.453 10.471 1.00 0.00 N ATOM 610 CA GLU A 40 5.558 7.665 9.661 1.00 0.00 C ATOM 611 C GLU A 40 4.511 8.670 10.136 1.00 0.00 C ATOM 612 O GLU A 40 3.310 8.440 9.999 1.00 0.00 O ATOM 613 CB GLU A 40 5.325 7.328 8.187 1.00 0.00 C ATOM 614 CG GLU A 40 6.605 7.052 7.416 1.00 0.00 C ATOM 615 CD GLU A 40 6.817 8.024 6.271 1.00 0.00 C ATOM 616 OE1 GLU A 40 7.987 8.345 5.976 1.00 0.00 O ATOM 617 OE2 GLU A 40 5.814 8.463 5.672 1.00 0.00 O ATOM 0 H GLU A 40 5.008 5.679 10.048 1.00 0.00 H new ATOM 0 HA GLU A 40 6.545 8.114 9.772 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.676 6.455 8.121 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.796 8.155 7.713 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.454 7.108 8.097 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.577 6.035 7.024 1.00 0.00 H new ATOM 624 N GLN A 41 4.978 9.782 10.694 1.00 0.00 N ATOM 625 CA GLN A 41 4.083 10.820 11.190 1.00 0.00 C ATOM 626 C GLN A 41 3.770 11.837 10.097 1.00 0.00 C ATOM 627 O GLN A 41 4.654 12.244 9.344 1.00 0.00 O ATOM 628 CB GLN A 41 4.705 11.526 12.397 1.00 0.00 C ATOM 629 CG GLN A 41 5.267 10.571 13.437 1.00 0.00 C ATOM 630 CD GLN A 41 4.632 10.755 14.801 1.00 0.00 C ATOM 631 OE1 GLN A 41 5.065 11.593 15.592 1.00 0.00 O ATOM 632 NE2 GLN A 41 3.599 9.969 15.085 1.00 0.00 N ATOM 0 H GLN A 41 5.970 9.987 10.814 1.00 0.00 H new ATOM 0 HA GLN A 41 3.151 10.345 11.496 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.502 12.184 12.051 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.951 12.158 12.866 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.112 9.545 13.104 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.344 10.721 13.518 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.273 9.288 14.399 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.132 10.047 15.989 1.00 0.00 H new ATOM 641 N TRP A 42 2.507 12.241 10.017 1.00 0.00 N ATOM 642 CA TRP A 42 2.078 13.211 9.015 1.00 0.00 C ATOM 643 C TRP A 42 1.142 14.247 9.627 1.00 0.00 C ATOM 644 O TRP A 42 0.271 13.912 10.431 1.00 0.00 O ATOM 645 CB TRP A 42 1.382 12.500 7.853 1.00 0.00 C ATOM 646 CG TRP A 42 2.337 11.859 6.892 1.00 0.00 C ATOM 647 CD1 TRP A 42 2.682 10.539 6.836 1.00 0.00 C ATOM 648 CD2 TRP A 42 3.070 12.512 5.850 1.00 0.00 C ATOM 649 NE1 TRP A 42 3.586 10.331 5.822 1.00 0.00 N ATOM 650 CE2 TRP A 42 3.840 11.526 5.201 1.00 0.00 C ATOM 651 CE3 TRP A 42 3.151 13.832 5.400 1.00 0.00 C ATOM 652 CZ2 TRP A 42 4.678 11.821 4.129 1.00 0.00 C ATOM 653 CZ3 TRP A 42 3.983 14.124 4.336 1.00 0.00 C ATOM 654 CH2 TRP A 42 4.737 13.123 3.710 1.00 0.00 C ATOM 0 H TRP A 42 1.763 11.913 10.633 1.00 0.00 H new ATOM 0 HA TRP A 42 2.963 13.725 8.640 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.712 11.738 8.251 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.763 13.218 7.315 1.00 0.00 H new ATOM 0 HD1 TRP A 42 2.300 9.771 7.492 1.00 0.00 H new ATOM 0 HE1 TRP A 42 4.001 9.433 5.572 1.00 0.00 H new ATOM 0 HE3 TRP A 42 2.573 14.611 5.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 5.260 11.051 3.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.053 15.142 3.981 1.00 0.00 H new ATOM 0 HH2 TRP A 42 5.378 13.384 2.880 1.00 0.00 H new ATOM 665 N ILE A 43 1.326 15.505 9.241 1.00 0.00 N ATOM 666 CA ILE A 43 0.496 16.589 9.752 1.00 0.00 C ATOM 667 C ILE A 43 -0.516 17.046 8.706 1.00 0.00 C ATOM 668 O ILE A 43 -0.163 17.305 7.556 1.00 0.00 O ATOM 669 CB ILE A 43 1.350 17.796 10.184 1.00 0.00 C ATOM 670 CG1 ILE A 43 2.355 17.378 11.259 1.00 0.00 C ATOM 671 CG2 ILE A 43 0.459 18.920 10.693 1.00 0.00 C ATOM 672 CD1 ILE A 43 3.746 17.928 11.032 1.00 0.00 C ATOM 0 H ILE A 43 2.042 15.799 8.577 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.033 16.199 10.621 1.00 0.00 H new ATOM 0 HB ILE A 43 1.903 18.160 9.318 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.995 17.713 12.232 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.405 16.290 11.295 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.077 19.766 10.995 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.222 19.232 9.901 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.117 18.568 11.549 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.405 17.591 11.832 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.126 17.572 10.074 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.710 19.017 11.026 1.00 0.00 H new ATOM 684 N VAL A 44 -1.777 17.144 9.115 1.00 0.00 N ATOM 685 CA VAL A 44 -2.841 17.572 8.215 1.00 0.00 C ATOM 686 C VAL A 44 -3.687 18.671 8.847 1.00 0.00 C ATOM 687 O VAL A 44 -4.004 18.619 10.036 1.00 0.00 O ATOM 688 CB VAL A 44 -3.756 16.395 7.828 1.00 0.00 C ATOM 689 CG1 VAL A 44 -4.810 16.162 8.899 1.00 0.00 C ATOM 690 CG2 VAL A 44 -4.406 16.648 6.475 1.00 0.00 C ATOM 0 H VAL A 44 -2.086 16.933 10.064 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.359 17.959 7.317 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.147 15.495 7.751 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.447 15.327 8.607 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.322 15.933 9.846 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.418 17.059 9.012 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.049 15.806 6.217 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.002 17.559 6.523 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.633 16.760 5.715 1.00 0.00 H new ATOM 700 N ASP A 45 -4.049 19.667 8.045 1.00 0.00 N ATOM 701 CA ASP A 45 -4.859 20.780 8.525 1.00 0.00 C ATOM 702 C ASP A 45 -6.217 20.802 7.831 1.00 0.00 C ATOM 703 O ASP A 45 -6.298 20.808 6.602 1.00 0.00 O ATOM 704 CB ASP A 45 -4.132 22.105 8.294 1.00 0.00 C ATOM 705 CG ASP A 45 -4.455 23.136 9.358 1.00 0.00 C ATOM 706 OD1 ASP A 45 -3.507 23.694 9.951 1.00 0.00 O ATOM 707 OD2 ASP A 45 -5.654 23.385 9.598 1.00 0.00 O ATOM 0 H ASP A 45 -3.794 19.726 7.059 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.020 20.646 9.595 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.057 21.928 8.278 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.404 22.500 7.315 1.00 0.00 H new ATOM 712 N LEU A 46 -7.282 20.814 8.625 1.00 0.00 N ATOM 713 CA LEU A 46 -8.638 20.835 8.087 1.00 0.00 C ATOM 714 C LEU A 46 -8.995 22.223 7.566 1.00 0.00 C ATOM 715 O LEU A 46 -9.476 22.371 6.442 1.00 0.00 O ATOM 716 CB LEU A 46 -9.640 20.407 9.161 1.00 0.00 C ATOM 717 CG LEU A 46 -9.585 18.938 9.583 1.00 0.00 C ATOM 718 CD1 LEU A 46 -8.268 18.633 10.281 1.00 0.00 C ATOM 719 CD2 LEU A 46 -10.761 18.598 10.487 1.00 0.00 C ATOM 0 H LEU A 46 -7.233 20.810 9.644 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.684 20.132 7.255 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.481 21.024 10.045 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.645 20.623 8.799 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.651 18.320 8.688 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.246 17.583 10.574 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.440 18.837 9.602 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.173 19.260 11.168 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.705 17.549 10.777 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.727 19.224 11.379 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -11.694 18.778 9.953 1.00 0.00 H new ATOM 731 N LYS A 47 -8.756 23.238 8.389 1.00 0.00 N ATOM 732 CA LYS A 47 -9.049 24.616 8.012 1.00 0.00 C ATOM 733 C LYS A 47 -8.664 24.875 6.559 1.00 0.00 C ATOM 734 O LYS A 47 -9.522 25.144 5.719 1.00 0.00 O ATOM 735 CB LYS A 47 -8.303 25.587 8.929 1.00 0.00 C ATOM 736 CG LYS A 47 -8.368 25.207 10.398 1.00 0.00 C ATOM 737 CD LYS A 47 -8.652 26.415 11.275 1.00 0.00 C ATOM 738 CE LYS A 47 -7.382 27.196 11.576 1.00 0.00 C ATOM 739 NZ LYS A 47 -7.615 28.266 12.586 1.00 0.00 N ATOM 0 H LYS A 47 -8.360 23.132 9.323 1.00 0.00 H new ATOM 0 HA LYS A 47 -10.122 24.776 8.120 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.259 25.635 8.621 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -8.719 26.586 8.802 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.145 24.458 10.547 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.425 24.752 10.699 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.371 27.066 10.778 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.110 26.088 12.209 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.614 26.514 11.940 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.003 27.641 10.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.726 28.775 12.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.330 28.932 12.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.953 27.839 13.472 1.00 0.00 H new ATOM 753 N GLN A 48 -7.369 24.790 6.270 1.00 0.00 N ATOM 754 CA GLN A 48 -6.872 25.016 4.918 1.00 0.00 C ATOM 755 C GLN A 48 -6.563 23.693 4.224 1.00 0.00 C ATOM 756 O GLN A 48 -6.770 22.619 4.791 1.00 0.00 O ATOM 757 CB GLN A 48 -5.619 25.892 4.952 1.00 0.00 C ATOM 758 CG GLN A 48 -4.715 25.615 6.142 1.00 0.00 C ATOM 759 CD GLN A 48 -3.418 26.398 6.085 1.00 0.00 C ATOM 760 OE1 GLN A 48 -3.123 27.062 5.091 1.00 0.00 O ATOM 761 NE2 GLN A 48 -2.634 26.325 7.155 1.00 0.00 N ATOM 0 H GLN A 48 -6.646 24.566 6.954 1.00 0.00 H new ATOM 0 HA GLN A 48 -7.650 25.529 4.353 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.053 25.738 4.033 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.919 26.940 4.970 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.245 25.864 7.061 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -4.490 24.549 6.182 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.917 25.763 7.957 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.749 26.831 7.174 1.00 0.00 H new ATOM 770 N LEU A 49 -6.068 23.777 2.995 1.00 0.00 N ATOM 771 CA LEU A 49 -5.730 22.587 2.222 1.00 0.00 C ATOM 772 C LEU A 49 -4.218 22.420 2.111 1.00 0.00 C ATOM 773 O LEU A 49 -3.653 22.495 1.020 1.00 0.00 O ATOM 774 CB LEU A 49 -6.350 22.668 0.826 1.00 0.00 C ATOM 775 CG LEU A 49 -7.869 22.839 0.775 1.00 0.00 C ATOM 776 CD1 LEU A 49 -8.546 21.895 1.756 1.00 0.00 C ATOM 777 CD2 LEU A 49 -8.253 24.282 1.069 1.00 0.00 C ATOM 0 H LEU A 49 -5.891 24.658 2.511 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.135 21.719 2.743 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.892 23.503 0.295 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.088 21.761 0.281 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.210 22.591 -0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -9.626 22.031 1.705 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.298 20.865 1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.200 22.111 2.767 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -9.337 24.385 1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.899 24.558 2.062 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.798 24.938 0.327 1.00 0.00 H new ATOM 789 N LYS A 50 -3.568 22.192 3.247 1.00 0.00 N ATOM 790 CA LYS A 50 -2.122 22.011 3.279 1.00 0.00 C ATOM 791 C LYS A 50 -1.754 20.685 3.937 1.00 0.00 C ATOM 792 O LYS A 50 -2.567 20.081 4.637 1.00 0.00 O ATOM 793 CB LYS A 50 -1.459 23.167 4.031 1.00 0.00 C ATOM 794 CG LYS A 50 -1.738 23.161 5.524 1.00 0.00 C ATOM 795 CD LYS A 50 -0.647 22.434 6.292 1.00 0.00 C ATOM 796 CE LYS A 50 0.191 23.399 7.117 1.00 0.00 C ATOM 797 NZ LYS A 50 -0.640 24.164 8.088 1.00 0.00 N ATOM 0 H LYS A 50 -4.021 22.128 4.159 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.760 21.999 2.251 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.382 23.123 3.871 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.806 24.110 3.609 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.816 24.187 5.885 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.699 22.682 5.714 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.097 21.689 6.948 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.004 21.898 5.594 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.960 22.844 7.655 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.705 24.093 6.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.517 25.183 7.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.641 23.911 7.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.343 23.932 9.057 1.00 0.00 H new ATOM 811 N VAL A 51 -0.523 20.238 3.708 1.00 0.00 N ATOM 812 CA VAL A 51 -0.046 18.985 4.281 1.00 0.00 C ATOM 813 C VAL A 51 1.437 19.066 4.623 1.00 0.00 C ATOM 814 O VAL A 51 2.236 19.587 3.846 1.00 0.00 O ATOM 815 CB VAL A 51 -0.276 17.804 3.319 1.00 0.00 C ATOM 816 CG1 VAL A 51 0.507 16.583 3.775 1.00 0.00 C ATOM 817 CG2 VAL A 51 -1.760 17.487 3.211 1.00 0.00 C ATOM 0 H VAL A 51 0.162 20.725 3.130 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.618 18.817 5.194 1.00 0.00 H new ATOM 0 HB VAL A 51 0.085 18.088 2.330 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.332 15.759 3.083 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.571 16.820 3.795 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.180 16.294 4.774 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.905 16.650 2.527 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.148 17.223 4.195 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.292 18.360 2.833 1.00 0.00 H new ATOM 827 N ASP A 52 1.798 18.546 5.791 1.00 0.00 N ATOM 828 CA ASP A 52 3.187 18.558 6.237 1.00 0.00 C ATOM 829 C ASP A 52 3.600 17.188 6.765 1.00 0.00 C ATOM 830 O ASP A 52 2.755 16.383 7.157 1.00 0.00 O ATOM 831 CB ASP A 52 3.388 19.618 7.321 1.00 0.00 C ATOM 832 CG ASP A 52 2.398 20.760 7.204 1.00 0.00 C ATOM 833 OD1 ASP A 52 1.218 20.562 7.563 1.00 0.00 O ATOM 834 OD2 ASP A 52 2.803 21.853 6.755 1.00 0.00 O ATOM 0 H ASP A 52 1.148 18.111 6.446 1.00 0.00 H new ATOM 0 HA ASP A 52 3.816 18.802 5.381 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.288 19.154 8.302 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.402 20.012 7.256 1.00 0.00 H new ATOM 839 N GLN A 53 4.904 16.930 6.771 1.00 0.00 N ATOM 840 CA GLN A 53 5.428 15.656 7.249 1.00 0.00 C ATOM 841 C GLN A 53 6.044 15.807 8.636 1.00 0.00 C ATOM 842 O GLN A 53 6.751 16.776 8.910 1.00 0.00 O ATOM 843 CB GLN A 53 6.470 15.110 6.272 1.00 0.00 C ATOM 844 CG GLN A 53 6.572 13.593 6.276 1.00 0.00 C ATOM 845 CD GLN A 53 7.460 13.065 5.167 1.00 0.00 C ATOM 846 OE1 GLN A 53 7.753 13.771 4.201 1.00 0.00 O ATOM 847 NE2 GLN A 53 7.895 11.818 5.300 1.00 0.00 N ATOM 0 H GLN A 53 5.616 17.586 6.450 1.00 0.00 H new ATOM 0 HA GLN A 53 4.598 14.952 7.314 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.223 15.447 5.265 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.444 15.532 6.519 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.963 13.261 7.238 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.575 13.165 6.172 1.00 0.00 H new ATOM 0 HE21 GLN A 53 7.627 11.269 6.117 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.497 11.409 4.585 1.00 0.00 H new ATOM 856 N GLY A 54 5.771 14.842 9.508 1.00 0.00 N ATOM 857 CA GLY A 54 6.306 14.887 10.857 1.00 0.00 C ATOM 858 C GLY A 54 5.219 14.979 11.909 1.00 0.00 C ATOM 859 O GLY A 54 4.078 14.584 11.670 1.00 0.00 O ATOM 0 H GLY A 54 5.189 14.029 9.305 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.906 13.995 11.036 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.973 15.744 10.952 1.00 0.00 H new ATOM 863 N VAL A 55 5.573 15.501 13.079 1.00 0.00 N ATOM 864 CA VAL A 55 4.619 15.644 14.173 1.00 0.00 C ATOM 865 C VAL A 55 4.393 17.112 14.516 1.00 0.00 C ATOM 866 O VAL A 55 5.320 17.818 14.913 1.00 0.00 O ATOM 867 CB VAL A 55 5.097 14.900 15.434 1.00 0.00 C ATOM 868 CG1 VAL A 55 6.472 15.394 15.857 1.00 0.00 C ATOM 869 CG2 VAL A 55 4.091 15.068 16.563 1.00 0.00 C ATOM 0 H VAL A 55 6.514 15.832 13.294 1.00 0.00 H new ATOM 0 HA VAL A 55 3.680 15.205 13.835 1.00 0.00 H new ATOM 0 HB VAL A 55 5.175 13.838 15.201 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.793 14.857 16.749 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.185 15.218 15.052 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.424 16.461 16.073 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.444 14.536 17.447 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.980 16.127 16.797 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.128 14.661 16.255 1.00 0.00 H new ATOM 879 N PHE A 56 3.153 17.565 14.362 1.00 0.00 N ATOM 880 CA PHE A 56 2.804 18.950 14.656 1.00 0.00 C ATOM 881 C PHE A 56 3.255 19.339 16.061 1.00 0.00 C ATOM 882 O PHE A 56 3.271 18.510 16.970 1.00 0.00 O ATOM 883 CB PHE A 56 1.294 19.158 14.517 1.00 0.00 C ATOM 884 CG PHE A 56 0.908 20.583 14.242 1.00 0.00 C ATOM 885 CD1 PHE A 56 1.548 21.309 13.250 1.00 0.00 C ATOM 886 CD2 PHE A 56 -0.094 21.197 14.975 1.00 0.00 C ATOM 887 CE1 PHE A 56 1.195 22.621 12.994 1.00 0.00 C ATOM 888 CE2 PHE A 56 -0.452 22.508 14.723 1.00 0.00 C ATOM 889 CZ PHE A 56 0.195 23.221 13.732 1.00 0.00 C ATOM 0 H PHE A 56 2.374 16.994 14.036 1.00 0.00 H new ATOM 0 HA PHE A 56 3.320 19.588 13.939 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.921 18.527 13.710 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.804 18.827 15.433 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.332 20.844 12.670 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.601 20.645 15.752 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.701 23.176 12.218 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.237 22.975 15.300 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.081 24.246 13.535 1.00 0.00 H new ATOM 899 N ALA A 57 3.622 20.605 16.229 1.00 0.00 N ATOM 900 CA ALA A 57 4.072 21.105 17.522 1.00 0.00 C ATOM 901 C ALA A 57 2.987 20.942 18.581 1.00 0.00 C ATOM 902 O ALA A 57 3.280 20.823 19.771 1.00 0.00 O ATOM 903 CB ALA A 57 4.486 22.564 17.408 1.00 0.00 C ATOM 0 H ALA A 57 3.616 21.303 15.486 1.00 0.00 H new ATOM 0 HA ALA A 57 4.936 20.517 17.831 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.820 22.925 18.381 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.299 22.656 16.688 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.636 23.158 17.073 1.00 0.00 H new ATOM 909 N SER A 58 1.732 20.939 18.141 1.00 0.00 N ATOM 910 CA SER A 58 0.603 20.795 19.053 1.00 0.00 C ATOM 911 C SER A 58 -0.688 20.536 18.282 1.00 0.00 C ATOM 912 O SER A 58 -1.542 21.411 18.137 1.00 0.00 O ATOM 913 CB SER A 58 0.452 22.051 19.913 1.00 0.00 C ATOM 914 OG SER A 58 -0.289 21.777 21.090 1.00 0.00 O ATOM 0 H SER A 58 1.472 21.035 17.159 1.00 0.00 H new ATOM 0 HA SER A 58 0.798 19.940 19.701 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.437 22.433 20.180 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.047 22.831 19.338 1.00 0.00 H new ATOM 0 HG SER A 58 -0.370 22.595 21.623 1.00 0.00 H new ATOM 920 N PRO A 59 -0.834 19.303 17.773 1.00 0.00 N ATOM 921 CA PRO A 59 -2.018 18.898 17.009 1.00 0.00 C ATOM 922 C PRO A 59 -3.264 18.793 17.881 1.00 0.00 C ATOM 923 O PRO A 59 -3.169 18.646 19.100 1.00 0.00 O ATOM 924 CB PRO A 59 -1.631 17.522 16.460 1.00 0.00 C ATOM 925 CG PRO A 59 -0.612 17.006 17.415 1.00 0.00 C ATOM 926 CD PRO A 59 0.143 18.210 17.906 1.00 0.00 C ATOM 0 HA PRO A 59 -2.273 19.624 16.237 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.495 16.860 16.407 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.225 17.598 15.451 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -1.085 16.478 18.243 1.00 0.00 H new ATOM 0 HG3 PRO A 59 0.058 16.298 16.926 1.00 0.00 H new ATOM 0 HD2 PRO A 59 0.469 18.086 18.939 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.036 18.395 17.310 1.00 0.00 H new ATOM 934 N ASP A 60 -4.430 18.868 17.250 1.00 0.00 N ATOM 935 CA ASP A 60 -5.696 18.779 17.969 1.00 0.00 C ATOM 936 C ASP A 60 -6.012 17.332 18.337 1.00 0.00 C ATOM 937 O ASP A 60 -6.548 17.057 19.410 1.00 0.00 O ATOM 938 CB ASP A 60 -6.829 19.363 17.125 1.00 0.00 C ATOM 939 CG ASP A 60 -6.485 20.726 16.557 1.00 0.00 C ATOM 940 OD1 ASP A 60 -5.559 20.805 15.723 1.00 0.00 O ATOM 941 OD2 ASP A 60 -7.143 21.713 16.946 1.00 0.00 O ATOM 0 H ASP A 60 -4.525 18.990 16.242 1.00 0.00 H new ATOM 0 HA ASP A 60 -5.604 19.357 18.889 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -7.059 18.679 16.308 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.728 19.444 17.735 1.00 0.00 H new ATOM 946 N VAL A 61 -5.676 16.412 17.439 1.00 0.00 N ATOM 947 CA VAL A 61 -5.923 14.994 17.668 1.00 0.00 C ATOM 948 C VAL A 61 -4.795 14.140 17.100 1.00 0.00 C ATOM 949 O VAL A 61 -4.141 14.521 16.129 1.00 0.00 O ATOM 950 CB VAL A 61 -7.257 14.548 17.039 1.00 0.00 C ATOM 951 CG1 VAL A 61 -7.646 13.165 17.537 1.00 0.00 C ATOM 952 CG2 VAL A 61 -8.352 15.560 17.339 1.00 0.00 C ATOM 0 H VAL A 61 -5.232 16.624 16.546 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.973 14.852 18.748 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.129 14.496 15.958 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -8.591 12.867 17.082 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.870 12.449 17.265 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.756 13.186 18.621 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -9.287 15.229 16.887 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.481 15.647 18.418 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.074 16.530 16.927 1.00 0.00 H new ATOM 962 N THR A 62 -4.572 12.981 17.712 1.00 0.00 N ATOM 963 CA THR A 62 -3.523 12.072 17.268 1.00 0.00 C ATOM 964 C THR A 62 -4.089 10.694 16.943 1.00 0.00 C ATOM 965 O THR A 62 -4.395 9.910 17.842 1.00 0.00 O ATOM 966 CB THR A 62 -2.421 11.923 18.334 1.00 0.00 C ATOM 967 OG1 THR A 62 -2.180 13.184 18.970 1.00 0.00 O ATOM 968 CG2 THR A 62 -1.131 11.409 17.712 1.00 0.00 C ATOM 0 H THR A 62 -5.104 12.650 18.517 1.00 0.00 H new ATOM 0 HA THR A 62 -3.091 12.506 16.366 1.00 0.00 H new ATOM 0 HB THR A 62 -2.761 11.201 19.076 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.479 13.080 19.647 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.368 11.312 18.484 1.00 0.00 H new ATOM 0 HG22 THR A 62 -1.310 10.436 17.255 1.00 0.00 H new ATOM 0 HG23 THR A 62 -0.789 12.110 16.951 1.00 0.00 H new ATOM 976 N VAL A 63 -4.226 10.405 15.653 1.00 0.00 N ATOM 977 CA VAL A 63 -4.754 9.120 15.210 1.00 0.00 C ATOM 978 C VAL A 63 -3.634 8.197 14.745 1.00 0.00 C ATOM 979 O VAL A 63 -2.643 8.645 14.167 1.00 0.00 O ATOM 980 CB VAL A 63 -5.769 9.296 14.065 1.00 0.00 C ATOM 981 CG1 VAL A 63 -5.051 9.428 12.730 1.00 0.00 C ATOM 982 CG2 VAL A 63 -6.749 8.133 14.039 1.00 0.00 C ATOM 0 H VAL A 63 -3.979 11.043 14.897 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.258 8.672 16.066 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.332 10.213 14.240 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.784 9.552 11.933 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.393 10.296 12.755 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.461 8.531 12.544 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.459 8.274 13.224 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.204 7.201 13.889 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -7.287 8.090 14.986 1.00 0.00 H new ATOM 992 N THR A 64 -3.798 6.902 15.000 1.00 0.00 N ATOM 993 CA THR A 64 -2.801 5.914 14.608 1.00 0.00 C ATOM 994 C THR A 64 -3.410 4.845 13.709 1.00 0.00 C ATOM 995 O THR A 64 -4.402 4.209 14.067 1.00 0.00 O ATOM 996 CB THR A 64 -2.169 5.235 15.838 1.00 0.00 C ATOM 997 OG1 THR A 64 -2.370 6.045 17.002 1.00 0.00 O ATOM 998 CG2 THR A 64 -0.681 5.005 15.625 1.00 0.00 C ATOM 0 H THR A 64 -4.612 6.514 15.476 1.00 0.00 H new ATOM 0 HA THR A 64 -2.026 6.448 14.059 1.00 0.00 H new ATOM 0 HB THR A 64 -2.653 4.269 15.980 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.967 5.606 17.780 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.257 4.525 16.507 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.533 4.364 14.756 1.00 0.00 H new ATOM 0 HG23 THR A 64 -0.185 5.961 15.459 1.00 0.00 H new ATOM 1006 N VAL A 65 -2.810 4.650 12.539 1.00 0.00 N ATOM 1007 CA VAL A 65 -3.293 3.656 11.588 1.00 0.00 C ATOM 1008 C VAL A 65 -2.135 2.988 10.856 1.00 0.00 C ATOM 1009 O VAL A 65 -0.991 3.430 10.947 1.00 0.00 O ATOM 1010 CB VAL A 65 -4.246 4.284 10.554 1.00 0.00 C ATOM 1011 CG1 VAL A 65 -5.617 4.523 11.167 1.00 0.00 C ATOM 1012 CG2 VAL A 65 -3.662 5.580 10.011 1.00 0.00 C ATOM 0 H VAL A 65 -1.988 5.168 12.227 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.837 2.906 12.163 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.363 3.588 9.723 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.277 4.967 10.421 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.036 3.574 11.503 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.523 5.199 12.017 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.348 6.011 9.282 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.514 6.284 10.830 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.705 5.375 9.532 1.00 0.00 H new ATOM 1022 N GLY A 66 -2.441 1.918 10.127 1.00 0.00 N ATOM 1023 CA GLY A 66 -1.415 1.206 9.389 1.00 0.00 C ATOM 1024 C GLY A 66 -1.289 1.689 7.957 1.00 0.00 C ATOM 1025 O GLY A 66 -2.093 2.500 7.495 1.00 0.00 O ATOM 0 H GLY A 66 -3.381 1.532 10.035 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.457 1.327 9.895 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.644 0.140 9.391 1.00 0.00 H new ATOM 1029 N LEU A 67 -0.278 1.192 7.253 1.00 0.00 N ATOM 1030 CA LEU A 67 -0.049 1.579 5.866 1.00 0.00 C ATOM 1031 C LEU A 67 -1.193 1.110 4.973 1.00 0.00 C ATOM 1032 O LEU A 67 -1.716 1.876 4.165 1.00 0.00 O ATOM 1033 CB LEU A 67 1.275 0.998 5.366 1.00 0.00 C ATOM 1034 CG LEU A 67 2.426 0.988 6.371 1.00 0.00 C ATOM 1035 CD1 LEU A 67 2.931 -0.430 6.591 1.00 0.00 C ATOM 1036 CD2 LEU A 67 3.556 1.891 5.898 1.00 0.00 C ATOM 0 H LEU A 67 0.396 0.520 7.620 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.001 2.667 5.822 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.098 -0.026 5.037 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.589 1.565 4.490 1.00 0.00 H new ATOM 0 HG LEU A 67 2.055 1.371 7.322 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.750 -0.417 7.310 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.121 -1.049 6.976 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.284 -0.841 5.645 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.367 1.871 6.626 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.925 1.538 4.935 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.187 2.911 5.794 1.00 0.00 H new ATOM 1048 N GLU A 68 -1.577 -0.154 5.127 1.00 0.00 N ATOM 1049 CA GLU A 68 -2.661 -0.724 4.336 1.00 0.00 C ATOM 1050 C GLU A 68 -3.960 0.046 4.557 1.00 0.00 C ATOM 1051 O GLU A 68 -4.558 0.561 3.612 1.00 0.00 O ATOM 1052 CB GLU A 68 -2.862 -2.198 4.692 1.00 0.00 C ATOM 1053 CG GLU A 68 -1.563 -2.975 4.824 1.00 0.00 C ATOM 1054 CD GLU A 68 -1.197 -3.258 6.268 1.00 0.00 C ATOM 1055 OE1 GLU A 68 -0.069 -2.905 6.674 1.00 0.00 O ATOM 1056 OE2 GLU A 68 -2.037 -3.831 6.993 1.00 0.00 O ATOM 0 H GLU A 68 -1.154 -0.802 5.792 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.388 -0.646 3.284 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.412 -2.265 5.631 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.480 -2.667 3.926 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.651 -3.918 4.284 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.758 -2.412 4.353 1.00 0.00 H new ATOM 1063 N ASP A 69 -4.390 0.120 5.812 1.00 0.00 N ATOM 1064 CA ASP A 69 -5.618 0.827 6.159 1.00 0.00 C ATOM 1065 C ASP A 69 -5.606 2.245 5.597 1.00 0.00 C ATOM 1066 O ASP A 69 -6.532 2.654 4.897 1.00 0.00 O ATOM 1067 CB ASP A 69 -5.796 0.868 7.677 1.00 0.00 C ATOM 1068 CG ASP A 69 -5.500 -0.467 8.332 1.00 0.00 C ATOM 1069 OD1 ASP A 69 -6.191 -1.454 8.004 1.00 0.00 O ATOM 1070 OD2 ASP A 69 -4.577 -0.524 9.171 1.00 0.00 O ATOM 0 H ASP A 69 -3.907 -0.301 6.606 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.456 0.288 5.717 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.138 1.629 8.096 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -6.818 1.166 7.912 1.00 0.00 H new ATOM 1075 N MET A 70 -4.551 2.991 5.909 1.00 0.00 N ATOM 1076 CA MET A 70 -4.418 4.363 5.434 1.00 0.00 C ATOM 1077 C MET A 70 -4.473 4.420 3.911 1.00 0.00 C ATOM 1078 O MET A 70 -4.852 5.438 3.330 1.00 0.00 O ATOM 1079 CB MET A 70 -3.106 4.973 5.932 1.00 0.00 C ATOM 1080 CG MET A 70 -2.971 6.456 5.626 1.00 0.00 C ATOM 1081 SD MET A 70 -3.717 7.498 6.894 1.00 0.00 S ATOM 1082 CE MET A 70 -5.410 7.577 6.315 1.00 0.00 C ATOM 0 H MET A 70 -3.776 2.668 6.489 1.00 0.00 H new ATOM 0 HA MET A 70 -5.253 4.940 5.831 1.00 0.00 H new ATOM 0 HB2 MET A 70 -3.031 4.824 7.009 1.00 0.00 H new ATOM 0 HB3 MET A 70 -2.271 4.439 5.478 1.00 0.00 H new ATOM 0 HG2 MET A 70 -1.915 6.708 5.529 1.00 0.00 H new ATOM 0 HG3 MET A 70 -3.439 6.669 4.665 1.00 0.00 H new ATOM 0 HE1 MET A 70 -5.668 8.611 6.085 1.00 0.00 H new ATOM 0 HE2 MET A 70 -5.516 6.968 5.417 1.00 0.00 H new ATOM 0 HE3 MET A 70 -6.078 7.200 7.090 1.00 0.00 H new ATOM 1092 N LEU A 71 -4.093 3.321 3.269 1.00 0.00 N ATOM 1093 CA LEU A 71 -4.099 3.245 1.812 1.00 0.00 C ATOM 1094 C LEU A 71 -5.524 3.147 1.277 1.00 0.00 C ATOM 1095 O LEU A 71 -5.874 3.793 0.291 1.00 0.00 O ATOM 1096 CB LEU A 71 -3.281 2.042 1.340 1.00 0.00 C ATOM 1097 CG LEU A 71 -2.864 2.048 -0.131 1.00 0.00 C ATOM 1098 CD1 LEU A 71 -1.566 1.279 -0.321 1.00 0.00 C ATOM 1099 CD2 LEU A 71 -3.967 1.460 -1.000 1.00 0.00 C ATOM 0 H LEU A 71 -3.777 2.470 3.734 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.647 4.158 1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.381 1.978 1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.860 1.138 1.529 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.698 3.081 -0.438 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.285 1.294 -1.374 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.778 1.743 0.272 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.703 0.247 0.003 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.653 1.472 -2.044 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.164 0.433 -0.692 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.874 2.053 -0.887 1.00 0.00 H new ATOM 1111 N ALA A 72 -6.343 2.334 1.937 1.00 0.00 N ATOM 1112 CA ALA A 72 -7.731 2.154 1.532 1.00 0.00 C ATOM 1113 C ALA A 72 -8.508 3.463 1.636 1.00 0.00 C ATOM 1114 O ALA A 72 -9.367 3.753 0.804 1.00 0.00 O ATOM 1115 CB ALA A 72 -8.393 1.077 2.378 1.00 0.00 C ATOM 0 H ALA A 72 -6.068 1.790 2.755 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.740 1.838 0.489 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -9.429 0.954 2.064 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.860 0.135 2.250 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.364 1.370 3.428 1.00 0.00 H new ATOM 1121 N ILE A 73 -8.200 4.248 2.663 1.00 0.00 N ATOM 1122 CA ILE A 73 -8.869 5.525 2.875 1.00 0.00 C ATOM 1123 C ILE A 73 -8.365 6.579 1.895 1.00 0.00 C ATOM 1124 O ILE A 73 -9.124 7.091 1.073 1.00 0.00 O ATOM 1125 CB ILE A 73 -8.663 6.037 4.313 1.00 0.00 C ATOM 1126 CG1 ILE A 73 -8.899 4.908 5.318 1.00 0.00 C ATOM 1127 CG2 ILE A 73 -9.592 7.208 4.596 1.00 0.00 C ATOM 1128 CD1 ILE A 73 -8.613 5.303 6.749 1.00 0.00 C ATOM 0 H ILE A 73 -7.491 4.022 3.361 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.933 5.355 2.707 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.634 6.381 4.417 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -9.934 4.575 5.242 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.270 4.058 5.052 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -9.435 7.559 5.616 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.381 8.017 3.897 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -10.627 6.888 4.478 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -8.802 4.454 7.406 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.571 5.608 6.841 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -9.260 6.133 7.034 1.00 0.00 H new ATOM 1140 N SER A 74 -7.077 6.898 1.988 1.00 0.00 N ATOM 1141 CA SER A 74 -6.471 7.892 1.111 1.00 0.00 C ATOM 1142 C SER A 74 -6.687 7.528 -0.355 1.00 0.00 C ATOM 1143 O SER A 74 -6.829 8.402 -1.209 1.00 0.00 O ATOM 1144 CB SER A 74 -4.974 8.016 1.402 1.00 0.00 C ATOM 1145 OG SER A 74 -4.202 7.468 0.348 1.00 0.00 O ATOM 0 H SER A 74 -6.434 6.482 2.662 1.00 0.00 H new ATOM 0 HA SER A 74 -6.952 8.851 1.304 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.713 9.065 1.540 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.738 7.503 2.334 1.00 0.00 H new ATOM 0 HG SER A 74 -3.627 8.164 -0.032 1.00 0.00 H new ATOM 1151 N GLY A 75 -6.710 6.229 -0.638 1.00 0.00 N ATOM 1152 CA GLY A 75 -6.909 5.771 -2.001 1.00 0.00 C ATOM 1153 C GLY A 75 -8.354 5.879 -2.444 1.00 0.00 C ATOM 1154 O GLY A 75 -8.688 5.554 -3.584 1.00 0.00 O ATOM 0 H GLY A 75 -6.595 5.486 0.051 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.282 6.357 -2.673 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.583 4.734 -2.084 1.00 0.00 H new ATOM 1158 N LYS A 76 -9.215 6.337 -1.542 1.00 0.00 N ATOM 1159 CA LYS A 76 -10.633 6.488 -1.845 1.00 0.00 C ATOM 1160 C LYS A 76 -11.273 5.136 -2.142 1.00 0.00 C ATOM 1161 O LYS A 76 -11.855 4.933 -3.209 1.00 0.00 O ATOM 1162 CB LYS A 76 -10.824 7.428 -3.038 1.00 0.00 C ATOM 1163 CG LYS A 76 -12.124 8.212 -2.992 1.00 0.00 C ATOM 1164 CD LYS A 76 -12.655 8.492 -4.388 1.00 0.00 C ATOM 1165 CE LYS A 76 -13.212 9.904 -4.500 1.00 0.00 C ATOM 1166 NZ LYS A 76 -14.583 9.915 -5.081 1.00 0.00 N ATOM 0 H LYS A 76 -8.955 6.610 -0.594 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.122 6.917 -0.970 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.989 8.127 -3.076 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.794 6.845 -3.958 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -12.868 7.653 -2.424 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.964 9.154 -2.467 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.856 8.356 -5.116 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -13.435 7.771 -4.633 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -13.232 10.366 -3.513 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -12.550 10.507 -5.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -14.927 10.895 -5.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -14.560 9.498 -6.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -15.221 9.360 -4.475 1.00 0.00 H new ATOM 1180 N THR A 77 -11.163 4.212 -1.192 1.00 0.00 N ATOM 1181 CA THR A 77 -11.731 2.880 -1.352 1.00 0.00 C ATOM 1182 C THR A 77 -12.617 2.513 -0.167 1.00 0.00 C ATOM 1183 O THR A 77 -13.817 2.286 -0.322 1.00 0.00 O ATOM 1184 CB THR A 77 -10.629 1.814 -1.504 1.00 0.00 C ATOM 1185 OG1 THR A 77 -9.428 2.418 -1.996 1.00 0.00 O ATOM 1186 CG2 THR A 77 -11.072 0.709 -2.451 1.00 0.00 C ATOM 0 H THR A 77 -10.685 4.363 -0.303 1.00 0.00 H new ATOM 0 HA THR A 77 -12.334 2.901 -2.260 1.00 0.00 H new ATOM 0 HB THR A 77 -10.440 1.376 -0.524 1.00 0.00 H new ATOM 0 HG1 THR A 77 -8.732 1.734 -2.088 1.00 0.00 H new ATOM 0 HG21 THR A 77 -10.278 -0.032 -2.543 1.00 0.00 H new ATOM 0 HG22 THR A 77 -11.970 0.232 -2.059 1.00 0.00 H new ATOM 0 HG23 THR A 77 -11.286 1.134 -3.431 1.00 0.00 H new ATOM 1194 N LEU A 78 -12.018 2.459 1.018 1.00 0.00 N ATOM 1195 CA LEU A 78 -12.754 2.120 2.232 1.00 0.00 C ATOM 1196 C LEU A 78 -13.266 3.378 2.926 1.00 0.00 C ATOM 1197 O LEU A 78 -12.893 4.495 2.567 1.00 0.00 O ATOM 1198 CB LEU A 78 -11.863 1.324 3.186 1.00 0.00 C ATOM 1199 CG LEU A 78 -12.120 -0.182 3.246 1.00 0.00 C ATOM 1200 CD1 LEU A 78 -10.983 -0.891 3.965 1.00 0.00 C ATOM 1201 CD2 LEU A 78 -13.448 -0.469 3.932 1.00 0.00 C ATOM 0 H LEU A 78 -11.026 2.645 1.164 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.611 1.508 1.950 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.824 1.484 2.899 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -11.983 1.733 4.189 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.170 -0.563 2.226 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -11.185 -1.962 3.997 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -10.049 -0.714 3.432 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -10.900 -0.507 4.982 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -13.615 -1.546 3.966 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -13.426 -0.073 4.947 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -14.255 0.006 3.375 1.00 0.00 H new ATOM 1213 N THR A 79 -14.122 3.189 3.926 1.00 0.00 N ATOM 1214 CA THR A 79 -14.684 4.307 4.672 1.00 0.00 C ATOM 1215 C THR A 79 -14.291 4.240 6.143 1.00 0.00 C ATOM 1216 O THR A 79 -14.006 3.165 6.672 1.00 0.00 O ATOM 1217 CB THR A 79 -16.221 4.338 4.565 1.00 0.00 C ATOM 1218 OG1 THR A 79 -16.784 3.233 5.281 1.00 0.00 O ATOM 1219 CG2 THR A 79 -16.663 4.285 3.110 1.00 0.00 C ATOM 0 H THR A 79 -14.441 2.271 4.237 1.00 0.00 H new ATOM 0 HA THR A 79 -14.277 5.217 4.231 1.00 0.00 H new ATOM 0 HB THR A 79 -16.575 5.272 5.002 1.00 0.00 H new ATOM 0 HG1 THR A 79 -17.761 3.261 5.210 1.00 0.00 H new ATOM 0 HG21 THR A 79 -17.752 4.308 3.059 1.00 0.00 H new ATOM 0 HG22 THR A 79 -16.257 5.143 2.575 1.00 0.00 H new ATOM 0 HG23 THR A 79 -16.298 3.366 2.652 1.00 0.00 H new ATOM 1227 N VAL A 80 -14.277 5.395 6.801 1.00 0.00 N ATOM 1228 CA VAL A 80 -13.919 5.467 8.212 1.00 0.00 C ATOM 1229 C VAL A 80 -14.699 4.444 9.030 1.00 0.00 C ATOM 1230 O VAL A 80 -14.129 3.720 9.844 1.00 0.00 O ATOM 1231 CB VAL A 80 -14.181 6.873 8.787 1.00 0.00 C ATOM 1232 CG1 VAL A 80 -13.961 6.884 10.292 1.00 0.00 C ATOM 1233 CG2 VAL A 80 -13.293 7.901 8.102 1.00 0.00 C ATOM 0 H VAL A 80 -14.510 6.294 6.379 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.854 5.247 8.279 1.00 0.00 H new ATOM 0 HB VAL A 80 -15.221 7.138 8.595 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.151 7.885 10.680 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -14.642 6.176 10.764 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -12.932 6.599 10.511 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.490 8.888 8.520 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.246 7.642 8.262 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -13.505 7.910 7.033 1.00 0.00 H new ATOM 1243 N GLY A 81 -16.009 4.388 8.805 1.00 0.00 N ATOM 1244 CA GLY A 81 -16.846 3.449 9.528 1.00 0.00 C ATOM 1245 C GLY A 81 -16.335 2.026 9.435 1.00 0.00 C ATOM 1246 O GLY A 81 -16.311 1.301 10.430 1.00 0.00 O ATOM 0 H GLY A 81 -16.505 4.976 8.135 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -16.898 3.745 10.576 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.861 3.494 9.134 1.00 0.00 H new ATOM 1250 N ASP A 82 -15.927 1.622 8.237 1.00 0.00 N ATOM 1251 CA ASP A 82 -15.414 0.275 8.017 1.00 0.00 C ATOM 1252 C ASP A 82 -14.144 0.038 8.828 1.00 0.00 C ATOM 1253 O ASP A 82 -14.067 -0.902 9.619 1.00 0.00 O ATOM 1254 CB ASP A 82 -15.134 0.049 6.531 1.00 0.00 C ATOM 1255 CG ASP A 82 -15.975 -1.069 5.947 1.00 0.00 C ATOM 1256 OD1 ASP A 82 -15.458 -2.201 5.829 1.00 0.00 O ATOM 1257 OD2 ASP A 82 -17.149 -0.814 5.609 1.00 0.00 O ATOM 0 H ASP A 82 -15.942 2.209 7.403 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.173 -0.434 8.348 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -15.329 0.971 5.983 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -14.078 -0.185 6.395 1.00 0.00 H new ATOM 1262 N ALA A 83 -13.149 0.896 8.625 1.00 0.00 N ATOM 1263 CA ALA A 83 -11.883 0.781 9.338 1.00 0.00 C ATOM 1264 C ALA A 83 -12.098 0.817 10.848 1.00 0.00 C ATOM 1265 O ALA A 83 -11.381 0.159 11.603 1.00 0.00 O ATOM 1266 CB ALA A 83 -10.934 1.890 8.912 1.00 0.00 C ATOM 0 H ALA A 83 -13.196 1.678 7.972 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.437 -0.181 9.083 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.993 1.791 9.453 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.746 1.817 7.841 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.382 2.858 9.137 1.00 0.00 H new ATOM 1272 N LEU A 84 -13.087 1.589 11.281 1.00 0.00 N ATOM 1273 CA LEU A 84 -13.396 1.712 12.702 1.00 0.00 C ATOM 1274 C LEU A 84 -13.934 0.397 13.258 1.00 0.00 C ATOM 1275 O LEU A 84 -13.534 -0.044 14.336 1.00 0.00 O ATOM 1276 CB LEU A 84 -14.416 2.829 12.928 1.00 0.00 C ATOM 1277 CG LEU A 84 -14.284 3.603 14.240 1.00 0.00 C ATOM 1278 CD1 LEU A 84 -12.994 4.407 14.258 1.00 0.00 C ATOM 1279 CD2 LEU A 84 -15.486 4.515 14.444 1.00 0.00 C ATOM 0 H LEU A 84 -13.689 2.140 10.669 1.00 0.00 H new ATOM 0 HA LEU A 84 -12.474 1.958 13.229 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -14.339 3.537 12.103 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -15.415 2.396 12.884 1.00 0.00 H new ATOM 0 HG LEU A 84 -14.253 2.887 15.061 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.918 4.951 15.199 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.144 3.733 14.159 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.995 5.115 13.429 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -15.375 5.058 15.383 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -15.548 5.225 13.619 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -16.396 3.916 14.477 1.00 0.00 H new ATOM 1291 N LYS A 85 -14.841 -0.227 12.514 1.00 0.00 N ATOM 1292 CA LYS A 85 -15.431 -1.494 12.929 1.00 0.00 C ATOM 1293 C LYS A 85 -14.365 -2.578 13.049 1.00 0.00 C ATOM 1294 O LYS A 85 -14.448 -3.449 13.914 1.00 0.00 O ATOM 1295 CB LYS A 85 -16.507 -1.930 11.932 1.00 0.00 C ATOM 1296 CG LYS A 85 -16.975 -3.361 12.129 1.00 0.00 C ATOM 1297 CD LYS A 85 -18.300 -3.616 11.431 1.00 0.00 C ATOM 1298 CE LYS A 85 -18.163 -3.512 9.920 1.00 0.00 C ATOM 1299 NZ LYS A 85 -18.656 -2.204 9.406 1.00 0.00 N ATOM 0 H LYS A 85 -15.184 0.125 11.620 1.00 0.00 H new ATOM 0 HA LYS A 85 -15.888 -1.349 13.908 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -17.363 -1.261 12.019 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -16.118 -1.820 10.920 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -16.221 -4.047 11.743 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -17.078 -3.567 13.194 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -18.668 -4.607 11.697 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -19.041 -2.897 11.781 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -17.117 -3.641 9.641 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -18.721 -4.321 9.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -18.545 -2.173 8.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -19.661 -2.091 9.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -18.107 -1.433 9.836 1.00 0.00 H new ATOM 1313 N GLN A 86 -13.364 -2.516 12.176 1.00 0.00 N ATOM 1314 CA GLN A 86 -12.282 -3.493 12.185 1.00 0.00 C ATOM 1315 C GLN A 86 -11.365 -3.278 13.385 1.00 0.00 C ATOM 1316 O GLN A 86 -10.943 -4.234 14.035 1.00 0.00 O ATOM 1317 CB GLN A 86 -11.475 -3.403 10.889 1.00 0.00 C ATOM 1318 CG GLN A 86 -12.295 -3.685 9.641 1.00 0.00 C ATOM 1319 CD GLN A 86 -11.457 -3.673 8.377 1.00 0.00 C ATOM 1320 OE1 GLN A 86 -10.235 -3.814 8.427 1.00 0.00 O ATOM 1321 NE2 GLN A 86 -12.112 -3.504 7.234 1.00 0.00 N ATOM 0 H GLN A 86 -13.280 -1.800 11.454 1.00 0.00 H new ATOM 0 HA GLN A 86 -12.724 -4.487 12.261 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.040 -2.407 10.810 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -10.647 -4.110 10.937 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -12.780 -4.656 9.741 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -13.086 -2.940 9.555 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -13.126 -3.391 7.239 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -11.601 -3.487 6.351 1.00 0.00 H new ATOM 1330 N GLY A 87 -11.061 -2.016 13.673 1.00 0.00 N ATOM 1331 CA GLY A 87 -10.196 -1.699 14.795 1.00 0.00 C ATOM 1332 C GLY A 87 -8.780 -1.379 14.361 1.00 0.00 C ATOM 1333 O GLY A 87 -7.845 -1.458 15.158 1.00 0.00 O ATOM 0 H GLY A 87 -11.398 -1.208 13.150 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -10.607 -0.848 15.338 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -10.179 -2.541 15.487 1.00 0.00 H new ATOM 1337 N LYS A 88 -8.618 -1.016 13.093 1.00 0.00 N ATOM 1338 CA LYS A 88 -7.306 -0.683 12.553 1.00 0.00 C ATOM 1339 C LYS A 88 -6.887 0.723 12.970 1.00 0.00 C ATOM 1340 O LYS A 88 -5.704 0.991 13.181 1.00 0.00 O ATOM 1341 CB LYS A 88 -7.317 -0.792 11.026 1.00 0.00 C ATOM 1342 CG LYS A 88 -7.998 -2.047 10.511 1.00 0.00 C ATOM 1343 CD LYS A 88 -7.407 -3.299 11.136 1.00 0.00 C ATOM 1344 CE LYS A 88 -7.168 -4.382 10.095 1.00 0.00 C ATOM 1345 NZ LYS A 88 -6.342 -5.498 10.636 1.00 0.00 N ATOM 0 H LYS A 88 -9.381 -0.945 12.420 1.00 0.00 H new ATOM 0 HA LYS A 88 -6.584 -1.393 12.956 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -7.821 0.081 10.611 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -6.290 -0.770 10.661 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -9.065 -1.999 10.730 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -7.897 -2.098 9.427 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -6.466 -3.052 11.628 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -8.080 -3.675 11.906 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -8.126 -4.773 9.751 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -6.670 -3.949 9.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -6.201 -6.216 9.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -5.419 -5.130 10.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -6.829 -5.928 11.448 1.00 0.00 H new ATOM 1359 N ILE A 89 -7.864 1.616 13.089 1.00 0.00 N ATOM 1360 CA ILE A 89 -7.596 2.993 13.483 1.00 0.00 C ATOM 1361 C ILE A 89 -7.582 3.137 15.001 1.00 0.00 C ATOM 1362 O ILE A 89 -8.334 2.464 15.705 1.00 0.00 O ATOM 1363 CB ILE A 89 -8.641 3.960 12.896 1.00 0.00 C ATOM 1364 CG1 ILE A 89 -9.007 3.546 11.470 1.00 0.00 C ATOM 1365 CG2 ILE A 89 -8.114 5.388 12.921 1.00 0.00 C ATOM 1366 CD1 ILE A 89 -10.013 4.465 10.813 1.00 0.00 C ATOM 0 H ILE A 89 -8.848 1.410 12.918 1.00 0.00 H new ATOM 0 HA ILE A 89 -6.613 3.249 13.087 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.541 3.915 13.509 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -8.101 3.520 10.864 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -9.409 2.533 11.486 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.864 6.060 12.503 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -7.899 5.679 13.949 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -7.201 5.449 12.329 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -10.225 4.110 9.804 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -10.934 4.473 11.396 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -9.606 5.475 10.764 1.00 0.00 H new ATOM 1378 N GLU A 90 -6.723 4.021 15.499 1.00 0.00 N ATOM 1379 CA GLU A 90 -6.613 4.254 16.934 1.00 0.00 C ATOM 1380 C GLU A 90 -6.913 5.712 17.273 1.00 0.00 C ATOM 1381 O GLU A 90 -6.627 6.616 16.487 1.00 0.00 O ATOM 1382 CB GLU A 90 -5.213 3.882 17.428 1.00 0.00 C ATOM 1383 CG GLU A 90 -5.039 2.398 17.701 1.00 0.00 C ATOM 1384 CD GLU A 90 -3.587 1.964 17.659 1.00 0.00 C ATOM 1385 OE1 GLU A 90 -2.836 2.317 18.593 1.00 0.00 O ATOM 1386 OE2 GLU A 90 -3.201 1.272 16.694 1.00 0.00 O ATOM 0 H GLU A 90 -6.094 4.587 14.930 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.347 3.623 17.436 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.480 4.195 16.685 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -4.999 4.438 18.341 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.457 2.161 18.679 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.606 1.828 16.965 1.00 0.00 H new ATOM 1393 N LEU A 91 -7.492 5.932 18.449 1.00 0.00 N ATOM 1394 CA LEU A 91 -7.832 7.279 18.893 1.00 0.00 C ATOM 1395 C LEU A 91 -7.013 7.671 20.119 1.00 0.00 C ATOM 1396 O LEU A 91 -6.703 6.832 20.965 1.00 0.00 O ATOM 1397 CB LEU A 91 -9.325 7.370 19.213 1.00 0.00 C ATOM 1398 CG LEU A 91 -10.002 6.065 19.635 1.00 0.00 C ATOM 1399 CD1 LEU A 91 -9.406 5.551 20.936 1.00 0.00 C ATOM 1400 CD2 LEU A 91 -11.504 6.265 19.777 1.00 0.00 C ATOM 0 H LEU A 91 -7.735 5.195 19.111 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.597 7.972 18.085 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.461 8.101 20.010 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.842 7.756 18.334 1.00 0.00 H new ATOM 0 HG LEU A 91 -9.826 5.320 18.859 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -9.900 4.622 21.221 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -8.340 5.368 20.801 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -9.550 6.294 21.721 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -11.969 5.326 20.078 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -11.700 7.026 20.533 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -11.920 6.587 18.822 1.00 0.00 H new ATOM 1412 N SER A 92 -6.668 8.951 20.209 1.00 0.00 N ATOM 1413 CA SER A 92 -5.884 9.455 21.330 1.00 0.00 C ATOM 1414 C SER A 92 -5.763 10.975 21.270 1.00 0.00 C ATOM 1415 O SER A 92 -5.142 11.524 20.362 1.00 0.00 O ATOM 1416 CB SER A 92 -4.491 8.821 21.331 1.00 0.00 C ATOM 1417 OG SER A 92 -4.249 8.120 20.124 1.00 0.00 O ATOM 0 H SER A 92 -6.919 9.658 19.519 1.00 0.00 H new ATOM 0 HA SER A 92 -6.400 9.186 22.252 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.736 9.596 21.463 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.399 8.139 22.176 1.00 0.00 H new ATOM 0 HG SER A 92 -4.304 8.741 19.368 1.00 0.00 H new ATOM 1423 N GLY A 93 -6.363 11.649 22.247 1.00 0.00 N ATOM 1424 CA GLY A 93 -6.312 13.098 22.288 1.00 0.00 C ATOM 1425 C GLY A 93 -7.682 13.722 22.468 1.00 0.00 C ATOM 1426 O GLY A 93 -8.242 13.702 23.564 1.00 0.00 O ATOM 0 H GLY A 93 -6.883 11.217 23.010 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.663 13.413 23.105 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.866 13.469 21.365 1.00 0.00 H new ATOM 1430 N ASP A 94 -8.223 14.278 21.390 1.00 0.00 N ATOM 1431 CA ASP A 94 -9.536 14.911 21.433 1.00 0.00 C ATOM 1432 C ASP A 94 -10.564 14.085 20.666 1.00 0.00 C ATOM 1433 O ASP A 94 -10.913 14.409 19.531 1.00 0.00 O ATOM 1434 CB ASP A 94 -9.464 16.325 20.853 1.00 0.00 C ATOM 1435 CG ASP A 94 -9.404 17.390 21.931 1.00 0.00 C ATOM 1436 OD1 ASP A 94 -10.428 17.601 22.615 1.00 0.00 O ATOM 1437 OD2 ASP A 94 -8.334 18.013 22.090 1.00 0.00 O ATOM 0 H ASP A 94 -7.773 14.303 20.475 1.00 0.00 H new ATOM 0 HA ASP A 94 -9.849 14.970 22.475 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -8.585 16.408 20.214 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -10.335 16.500 20.221 1.00 0.00 H new ATOM 1442 N ALA A 95 -11.043 13.016 21.292 1.00 0.00 N ATOM 1443 CA ALA A 95 -12.031 12.144 20.669 1.00 0.00 C ATOM 1444 C ALA A 95 -13.134 12.955 19.998 1.00 0.00 C ATOM 1445 O ALA A 95 -13.639 12.578 18.940 1.00 0.00 O ATOM 1446 CB ALA A 95 -12.623 11.195 21.700 1.00 0.00 C ATOM 0 H ALA A 95 -10.763 12.732 22.231 1.00 0.00 H new ATOM 0 HA ALA A 95 -11.528 11.558 19.900 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -13.359 10.550 21.220 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -11.830 10.583 22.129 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -13.105 11.771 22.490 1.00 0.00 H new ATOM 1452 N ASP A 96 -13.503 14.070 20.619 1.00 0.00 N ATOM 1453 CA ASP A 96 -14.546 14.935 20.081 1.00 0.00 C ATOM 1454 C ASP A 96 -14.235 15.332 18.641 1.00 0.00 C ATOM 1455 O ASP A 96 -15.091 15.237 17.761 1.00 0.00 O ATOM 1456 CB ASP A 96 -14.697 16.187 20.947 1.00 0.00 C ATOM 1457 CG ASP A 96 -16.133 16.429 21.369 1.00 0.00 C ATOM 1458 OD1 ASP A 96 -16.533 17.609 21.464 1.00 0.00 O ATOM 1459 OD2 ASP A 96 -16.858 15.440 21.602 1.00 0.00 O ATOM 0 H ASP A 96 -13.095 14.396 21.495 1.00 0.00 H new ATOM 0 HA ASP A 96 -15.484 14.380 20.091 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -14.072 16.089 21.835 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -14.333 17.053 20.395 1.00 0.00 H new ATOM 1464 N LEU A 97 -13.005 15.778 18.409 1.00 0.00 N ATOM 1465 CA LEU A 97 -12.581 16.191 17.076 1.00 0.00 C ATOM 1466 C LEU A 97 -12.559 15.003 16.119 1.00 0.00 C ATOM 1467 O LEU A 97 -13.246 15.003 15.098 1.00 0.00 O ATOM 1468 CB LEU A 97 -11.195 16.836 17.138 1.00 0.00 C ATOM 1469 CG LEU A 97 -11.168 18.361 17.239 1.00 0.00 C ATOM 1470 CD1 LEU A 97 -10.812 18.796 18.652 1.00 0.00 C ATOM 1471 CD2 LEU A 97 -10.185 18.946 16.235 1.00 0.00 C ATOM 0 H LEU A 97 -12.285 15.863 19.126 1.00 0.00 H new ATOM 0 HA LEU A 97 -13.299 16.921 16.703 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -10.664 16.426 17.997 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -10.639 16.541 16.248 1.00 0.00 H new ATOM 0 HG LEU A 97 -12.163 18.739 17.004 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -10.798 19.885 18.705 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -11.554 18.409 19.350 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.829 18.407 18.916 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -10.180 20.033 16.322 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -9.186 18.561 16.437 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -10.485 18.664 15.226 1.00 0.00 H new ATOM 1483 N ALA A 98 -11.766 13.992 16.458 1.00 0.00 N ATOM 1484 CA ALA A 98 -11.659 12.796 15.631 1.00 0.00 C ATOM 1485 C ALA A 98 -13.034 12.204 15.340 1.00 0.00 C ATOM 1486 O ALA A 98 -13.235 11.551 14.317 1.00 0.00 O ATOM 1487 CB ALA A 98 -10.770 11.764 16.309 1.00 0.00 C ATOM 0 H ALA A 98 -11.189 13.977 17.299 1.00 0.00 H new ATOM 0 HA ALA A 98 -11.207 13.081 14.681 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -10.699 10.876 15.681 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -9.775 12.183 16.459 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.198 11.492 17.274 1.00 0.00 H new ATOM 1493 N ALA A 99 -13.976 12.435 16.248 1.00 0.00 N ATOM 1494 CA ALA A 99 -15.333 11.926 16.088 1.00 0.00 C ATOM 1495 C ALA A 99 -15.987 12.491 14.832 1.00 0.00 C ATOM 1496 O ALA A 99 -16.820 11.836 14.205 1.00 0.00 O ATOM 1497 CB ALA A 99 -16.169 12.257 17.315 1.00 0.00 C ATOM 0 H ALA A 99 -13.825 12.971 17.102 1.00 0.00 H new ATOM 0 HA ALA A 99 -15.278 10.843 15.981 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -17.180 11.871 17.182 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -15.719 11.799 18.196 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -16.208 13.338 17.448 1.00 0.00 H new ATOM 1503 N LYS A 100 -15.604 13.710 14.469 1.00 0.00 N ATOM 1504 CA LYS A 100 -16.153 14.364 13.286 1.00 0.00 C ATOM 1505 C LYS A 100 -16.046 13.458 12.064 1.00 0.00 C ATOM 1506 O LYS A 100 -16.865 13.537 11.147 1.00 0.00 O ATOM 1507 CB LYS A 100 -15.421 15.683 13.022 1.00 0.00 C ATOM 1508 CG LYS A 100 -15.989 16.859 13.797 1.00 0.00 C ATOM 1509 CD LYS A 100 -15.959 16.607 15.295 1.00 0.00 C ATOM 1510 CE LYS A 100 -16.559 17.772 16.068 1.00 0.00 C ATOM 1511 NZ LYS A 100 -15.785 18.075 17.304 1.00 0.00 N ATOM 0 H LYS A 100 -14.916 14.266 14.977 1.00 0.00 H new ATOM 0 HA LYS A 100 -17.207 14.570 13.472 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -14.369 15.563 13.280 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -15.465 15.906 11.956 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -15.417 17.758 13.567 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -17.015 17.044 13.479 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -16.511 15.695 15.523 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -14.930 16.446 15.618 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -16.586 18.656 15.430 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -17.590 17.539 16.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -16.272 18.817 17.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -15.709 17.216 17.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -14.833 18.404 17.045 1.00 0.00 H new ATOM 1525 N LEU A 101 -15.035 12.597 12.059 1.00 0.00 N ATOM 1526 CA LEU A 101 -14.823 11.673 10.949 1.00 0.00 C ATOM 1527 C LEU A 101 -15.811 10.513 11.010 1.00 0.00 C ATOM 1528 O LEU A 101 -16.500 10.220 10.034 1.00 0.00 O ATOM 1529 CB LEU A 101 -13.389 11.139 10.972 1.00 0.00 C ATOM 1530 CG LEU A 101 -12.698 11.015 9.614 1.00 0.00 C ATOM 1531 CD1 LEU A 101 -12.636 12.367 8.921 1.00 0.00 C ATOM 1532 CD2 LEU A 101 -11.302 10.433 9.777 1.00 0.00 C ATOM 0 H LEU A 101 -14.349 12.519 12.810 1.00 0.00 H new ATOM 0 HA LEU A 101 -14.987 12.217 10.019 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -12.789 11.793 11.604 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -13.396 10.157 11.445 1.00 0.00 H new ATOM 0 HG LEU A 101 -13.282 10.337 8.992 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -12.141 12.259 7.956 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -13.647 12.745 8.770 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -12.076 13.068 9.540 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -10.825 10.352 8.800 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -10.708 11.085 10.418 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -11.371 9.444 10.230 1.00 0.00 H new ATOM 1544 N ALA A 102 -15.875 9.857 12.164 1.00 0.00 N ATOM 1545 CA ALA A 102 -16.781 8.731 12.354 1.00 0.00 C ATOM 1546 C ALA A 102 -18.204 9.098 11.947 1.00 0.00 C ATOM 1547 O ALA A 102 -18.978 8.240 11.523 1.00 0.00 O ATOM 1548 CB ALA A 102 -16.748 8.265 13.802 1.00 0.00 C ATOM 0 H ALA A 102 -15.310 10.086 12.982 1.00 0.00 H new ATOM 0 HA ALA A 102 -16.446 7.915 11.714 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -17.429 7.424 13.929 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -15.736 7.955 14.061 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -17.055 9.082 14.454 1.00 0.00 H new ATOM 1554 N GLU A 103 -18.542 10.377 12.079 1.00 0.00 N ATOM 1555 CA GLU A 103 -19.874 10.855 11.726 1.00 0.00 C ATOM 1556 C GLU A 103 -20.252 10.417 10.314 1.00 0.00 C ATOM 1557 O GLU A 103 -21.431 10.262 9.996 1.00 0.00 O ATOM 1558 CB GLU A 103 -19.937 12.380 11.833 1.00 0.00 C ATOM 1559 CG GLU A 103 -19.943 12.891 13.264 1.00 0.00 C ATOM 1560 CD GLU A 103 -21.342 13.173 13.777 1.00 0.00 C ATOM 1561 OE1 GLU A 103 -22.148 12.222 13.853 1.00 0.00 O ATOM 1562 OE2 GLU A 103 -21.631 14.343 14.101 1.00 0.00 O ATOM 0 H GLU A 103 -17.913 11.100 12.427 1.00 0.00 H new ATOM 0 HA GLU A 103 -20.587 10.419 12.426 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -19.084 12.808 11.307 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -20.834 12.734 11.326 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -19.464 12.155 13.911 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -19.348 13.802 13.323 1.00 0.00 H new ATOM 1569 N VAL A 104 -19.244 10.220 9.472 1.00 0.00 N ATOM 1570 CA VAL A 104 -19.469 9.800 8.094 1.00 0.00 C ATOM 1571 C VAL A 104 -20.294 8.519 8.038 1.00 0.00 C ATOM 1572 O VAL A 104 -20.966 8.244 7.044 1.00 0.00 O ATOM 1573 CB VAL A 104 -18.139 9.574 7.351 1.00 0.00 C ATOM 1574 CG1 VAL A 104 -17.377 8.409 7.963 1.00 0.00 C ATOM 1575 CG2 VAL A 104 -18.391 9.337 5.869 1.00 0.00 C ATOM 0 H VAL A 104 -18.262 10.344 9.720 1.00 0.00 H new ATOM 0 HA VAL A 104 -20.018 10.604 7.604 1.00 0.00 H new ATOM 0 HB VAL A 104 -17.528 10.471 7.454 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -16.440 8.264 7.425 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -17.165 8.623 9.010 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -17.979 7.503 7.893 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -17.441 9.179 5.359 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -19.021 8.456 5.743 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -18.892 10.206 5.442 1.00 0.00 H new ATOM 1585 N ILE A 105 -20.239 7.739 9.113 1.00 0.00 N ATOM 1586 CA ILE A 105 -20.982 6.488 9.187 1.00 0.00 C ATOM 1587 C ILE A 105 -22.424 6.729 9.621 1.00 0.00 C ATOM 1588 O ILE A 105 -23.317 5.941 9.311 1.00 0.00 O ATOM 1589 CB ILE A 105 -20.322 5.498 10.165 1.00 0.00 C ATOM 1590 CG1 ILE A 105 -20.320 4.087 9.573 1.00 0.00 C ATOM 1591 CG2 ILE A 105 -21.044 5.516 11.504 1.00 0.00 C ATOM 1592 CD1 ILE A 105 -21.696 3.592 9.186 1.00 0.00 C ATOM 0 H ILE A 105 -19.687 7.952 9.944 1.00 0.00 H new ATOM 0 HA ILE A 105 -20.974 6.057 8.186 1.00 0.00 H new ATOM 0 HB ILE A 105 -19.289 5.805 10.327 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -19.677 4.072 8.693 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -19.886 3.398 10.298 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -20.566 4.811 12.185 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -20.998 6.519 11.929 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -22.086 5.231 11.359 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -21.618 2.586 8.774 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -22.338 3.575 10.067 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -22.125 4.258 8.438 1.00 0.00 H new ATOM 1604 N HIS A 106 -22.643 7.826 10.340 1.00 0.00 N ATOM 1605 CA HIS A 106 -23.978 8.173 10.816 1.00 0.00 C ATOM 1606 C HIS A 106 -24.493 7.128 11.800 1.00 0.00 C ATOM 1607 O HIS A 106 -23.744 6.258 12.246 1.00 0.00 O ATOM 1608 CB HIS A 106 -24.944 8.302 9.638 1.00 0.00 C ATOM 1609 CG HIS A 106 -24.401 9.114 8.503 1.00 0.00 C ATOM 1610 ND1 HIS A 106 -24.060 10.445 8.625 1.00 0.00 N ATOM 1611 CD2 HIS A 106 -24.138 8.776 7.219 1.00 0.00 C ATOM 1612 CE1 HIS A 106 -23.613 10.890 7.465 1.00 0.00 C ATOM 1613 NE2 HIS A 106 -23.649 9.897 6.595 1.00 0.00 N ATOM 0 H HIS A 106 -21.915 8.489 10.605 1.00 0.00 H new ATOM 0 HA HIS A 106 -23.916 9.131 11.332 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -25.194 7.306 9.274 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -25.871 8.756 9.987 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -24.285 7.805 6.769 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -23.275 11.896 7.262 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -23.360 9.954 5.618 1.00 0.00 H new ATOM 1621 N HIS A 107 -25.776 7.219 12.136 1.00 0.00 N ATOM 1622 CA HIS A 107 -26.391 6.281 13.068 1.00 0.00 C ATOM 1623 C HIS A 107 -25.618 6.236 14.383 1.00 0.00 C ATOM 1624 O HIS A 107 -24.704 5.428 14.550 1.00 0.00 O ATOM 1625 CB HIS A 107 -26.454 4.884 12.451 1.00 0.00 C ATOM 1626 CG HIS A 107 -27.150 4.845 11.125 1.00 0.00 C ATOM 1627 ND1 HIS A 107 -26.503 4.545 9.945 1.00 0.00 N ATOM 1628 CD2 HIS A 107 -28.444 5.068 10.798 1.00 0.00 C ATOM 1629 CE1 HIS A 107 -27.369 4.587 8.948 1.00 0.00 C ATOM 1630 NE2 HIS A 107 -28.554 4.902 9.439 1.00 0.00 N ATOM 0 H HIS A 107 -26.410 7.933 11.777 1.00 0.00 H new ATOM 0 HA HIS A 107 -27.405 6.624 13.275 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -25.440 4.503 12.331 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -26.967 4.214 13.141 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -29.241 5.328 11.478 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -27.146 4.396 7.909 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -29.412 5.005 8.897 1.00 0.00 H new ATOM 1638 N HIS A 108 -25.991 7.109 15.313 1.00 0.00 N ATOM 1639 CA HIS A 108 -25.332 7.168 16.613 1.00 0.00 C ATOM 1640 C HIS A 108 -26.265 6.682 17.718 1.00 0.00 C ATOM 1641 O HIS A 108 -27.291 7.304 17.996 1.00 0.00 O ATOM 1642 CB HIS A 108 -24.872 8.596 16.910 1.00 0.00 C ATOM 1643 CG HIS A 108 -23.932 8.692 18.073 1.00 0.00 C ATOM 1644 ND1 HIS A 108 -24.098 9.595 19.101 1.00 0.00 N ATOM 1645 CD2 HIS A 108 -22.812 7.991 18.366 1.00 0.00 C ATOM 1646 CE1 HIS A 108 -23.119 9.446 19.977 1.00 0.00 C ATOM 1647 NE2 HIS A 108 -22.326 8.478 19.554 1.00 0.00 N ATOM 0 H HIS A 108 -26.745 7.785 15.191 1.00 0.00 H new ATOM 0 HA HIS A 108 -24.462 6.512 16.582 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -24.384 9.004 16.024 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -25.746 9.217 17.107 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -22.381 7.196 17.775 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -22.990 10.018 20.884 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -21.488 8.146 20.032 1.00 0.00 H new ATOM 1655 N HIS A 109 -25.903 5.567 18.344 1.00 0.00 N ATOM 1656 CA HIS A 109 -26.709 4.997 19.418 1.00 0.00 C ATOM 1657 C HIS A 109 -25.825 4.296 20.446 1.00 0.00 C ATOM 1658 O HIS A 109 -24.644 4.052 20.201 1.00 0.00 O ATOM 1659 CB HIS A 109 -27.730 4.011 18.850 1.00 0.00 C ATOM 1660 CG HIS A 109 -28.817 4.666 18.054 1.00 0.00 C ATOM 1661 ND1 HIS A 109 -29.063 4.369 16.730 1.00 0.00 N ATOM 1662 CD2 HIS A 109 -29.725 5.608 18.403 1.00 0.00 C ATOM 1663 CE1 HIS A 109 -30.075 5.101 16.299 1.00 0.00 C ATOM 1664 NE2 HIS A 109 -30.495 5.860 17.294 1.00 0.00 N ATOM 0 H HIS A 109 -25.057 5.040 18.126 1.00 0.00 H new ATOM 0 HA HIS A 109 -27.238 5.811 19.913 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -27.213 3.289 18.218 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -28.179 3.452 19.671 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -29.825 6.074 19.372 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -30.489 5.082 15.302 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -31.266 6.526 17.247 1.00 0.00 H new ATOM 1672 N HIS A 110 -26.406 3.977 21.598 1.00 0.00 N ATOM 1673 CA HIS A 110 -25.671 3.305 22.664 1.00 0.00 C ATOM 1674 C HIS A 110 -26.625 2.573 23.604 1.00 0.00 C ATOM 1675 O HIS A 110 -26.594 1.346 23.705 1.00 0.00 O ATOM 1676 CB HIS A 110 -24.835 4.314 23.451 1.00 0.00 C ATOM 1677 CG HIS A 110 -23.523 3.767 23.923 1.00 0.00 C ATOM 1678 ND1 HIS A 110 -22.310 4.177 23.413 1.00 0.00 N ATOM 1679 CD2 HIS A 110 -23.239 2.838 24.865 1.00 0.00 C ATOM 1680 CE1 HIS A 110 -21.336 3.523 24.020 1.00 0.00 C ATOM 1681 NE2 HIS A 110 -21.873 2.704 24.906 1.00 0.00 N ATOM 0 H HIS A 110 -27.383 4.173 21.817 1.00 0.00 H new ATOM 0 HA HIS A 110 -25.006 2.572 22.207 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -24.651 5.187 22.825 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -25.408 4.655 24.313 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -23.954 2.302 25.472 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -20.280 3.638 23.825 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -21.357 2.074 25.521 1.00 0.00 H new ATOM 1689 N HIS A 111 -27.471 3.335 24.291 1.00 0.00 N ATOM 1690 CA HIS A 111 -28.434 2.759 25.223 1.00 0.00 C ATOM 1691 C HIS A 111 -29.827 2.709 24.603 1.00 0.00 C ATOM 1692 O HIS A 111 -30.297 1.648 24.192 1.00 0.00 O ATOM 1693 CB HIS A 111 -28.468 3.568 26.519 1.00 0.00 C ATOM 1694 CG HIS A 111 -28.897 2.771 27.712 1.00 0.00 C ATOM 1695 ND1 HIS A 111 -28.236 2.812 28.922 1.00 0.00 N ATOM 1696 CD2 HIS A 111 -29.928 1.910 27.878 1.00 0.00 C ATOM 1697 CE1 HIS A 111 -28.841 2.009 29.779 1.00 0.00 C ATOM 1698 NE2 HIS A 111 -29.871 1.450 29.170 1.00 0.00 N ATOM 0 H HIS A 111 -27.509 4.352 24.220 1.00 0.00 H new ATOM 0 HA HIS A 111 -28.119 1.740 25.448 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -27.477 3.981 26.706 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -29.146 4.412 26.393 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -30.660 1.636 27.132 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -28.544 1.839 30.803 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -30.519 0.784 29.591 1.00 0.00 H new TER 1706 HIS A 111