USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 602 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 21 ASN :FLIP amide:sc= -2.23! C(o=-5.9!,f=-3.8!) USER MOD Set 1.2: A 22 GLN : amide:sc= -1.56 K(o=-3.8,f=-7.6!) USER MOD Single : A 1 LYS N :NH3+ -162:sc= -0.0211 (180deg=-0.423) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 0:sc= -0.417 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -134:sc= -0.224 (180deg=-0.855) USER MOD Single : A 33 GLN : amide:sc= -0.348 X(o=-0.35,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -60:sc= 0.00783 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.683 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0.25) USER MOD Single : A 62 SER OG : rot 123:sc= 1 USER MOD Single : A 67 GLN : amide:sc= -0.0963 X(o=-0.096,f=-0.026) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -172:sc= 0.235 (180deg=0.189) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.32 X(o=-0.32,f=-0.057) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA LYS A 1 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C LYS A 1 1.128 0.324 -2.404 1.00 0.00 C ATOM 4 O LYS A 1 1.517 0.994 -3.359 1.00 0.00 O ATOM 5 CB LYS A 1 2.827 -1.320 -1.418 1.00 0.00 C ATOM 6 CG LYS A 1 4.340 -1.100 -1.364 1.00 0.00 C ATOM 7 CD LYS A 1 5.068 -2.063 -2.303 1.00 0.00 C ATOM 8 CE LYS A 1 6.520 -2.264 -1.864 1.00 0.00 C ATOM 9 NZ LYS A 1 7.422 -2.262 -3.038 1.00 0.00 N ATOM 0 H1 LYS A 1 1.983 0.086 0.801 1.00 0.00 H new ATOM 0 H2 LYS A 1 0.664 0.803 0.008 1.00 0.00 H new ATOM 0 H3 LYS A 1 0.792 -0.889 0.085 1.00 0.00 H new ATOM 0 HA LYS A 1 2.837 0.777 -1.229 1.00 0.00 H new ATOM 0 HB2 LYS A 1 2.530 -2.018 -0.635 1.00 0.00 H new ATOM 0 HB3 LYS A 1 2.556 -1.775 -2.371 1.00 0.00 H new ATOM 0 HG2 LYS A 1 4.572 -0.072 -1.641 1.00 0.00 H new ATOM 0 HG3 LYS A 1 4.696 -1.243 -0.344 1.00 0.00 H new ATOM 0 HD2 LYS A 1 4.552 -3.023 -2.316 1.00 0.00 H new ATOM 0 HD3 LYS A 1 5.043 -1.673 -3.321 1.00 0.00 H new ATOM 0 HE2 LYS A 1 6.810 -1.472 -1.174 1.00 0.00 H new ATOM 0 HE3 LYS A 1 6.616 -3.207 -1.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 8.403 -2.400 -2.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 7.155 -3.033 -3.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 7.343 -1.352 -3.535 1.00 0.00 H new ATOM 23 N SER A 2 -0.097 -0.166 -2.281 1.00 0.00 N ATOM 24 CA SER A 2 -1.101 0.063 -3.305 1.00 0.00 C ATOM 25 C SER A 2 -1.647 1.488 -3.194 1.00 0.00 C ATOM 26 O SER A 2 -1.463 2.149 -2.174 1.00 0.00 O ATOM 27 CB SER A 2 -2.242 -0.952 -3.196 1.00 0.00 C ATOM 28 OG SER A 2 -2.176 -1.941 -4.219 1.00 0.00 O ATOM 0 H SER A 2 -0.417 -0.721 -1.487 1.00 0.00 H new ATOM 0 HA SER A 2 -0.629 -0.064 -4.279 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.204 -1.437 -2.220 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.198 -0.431 -3.256 1.00 0.00 H new ATOM 0 HG SER A 2 -2.920 -2.571 -4.114 1.00 0.00 H new ATOM 34 N PRO A 3 -2.324 1.931 -4.288 1.00 0.00 N ATOM 35 CA PRO A 3 -2.897 3.266 -4.323 1.00 0.00 C ATOM 36 C PRO A 3 -4.162 3.342 -3.465 1.00 0.00 C ATOM 37 O PRO A 3 -4.348 4.295 -2.710 1.00 0.00 O ATOM 38 CB PRO A 3 -3.159 3.543 -5.794 1.00 0.00 C ATOM 39 CG PRO A 3 -3.158 2.187 -6.480 1.00 0.00 C ATOM 40 CD PRO A 3 -2.561 1.176 -5.514 1.00 0.00 C ATOM 0 HA PRO A 3 -2.233 4.021 -3.902 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -4.114 4.050 -5.932 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -2.390 4.193 -6.212 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -4.172 1.898 -6.756 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -2.576 2.225 -7.401 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -3.243 0.343 -5.341 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -1.635 0.754 -5.905 1.00 0.00 H new ATOM 48 N GLU A 4 -4.999 2.326 -3.610 1.00 0.00 N ATOM 49 CA GLU A 4 -6.241 2.265 -2.859 1.00 0.00 C ATOM 50 C GLU A 4 -5.951 2.225 -1.357 1.00 0.00 C ATOM 51 O GLU A 4 -6.759 2.687 -0.553 1.00 0.00 O ATOM 52 CB GLU A 4 -7.083 1.062 -3.287 1.00 0.00 C ATOM 53 CG GLU A 4 -8.485 1.499 -3.715 1.00 0.00 C ATOM 54 CD GLU A 4 -9.510 1.206 -2.616 1.00 0.00 C ATOM 55 OE1 GLU A 4 -9.650 2.073 -1.726 1.00 0.00 O ATOM 56 OE2 GLU A 4 -10.129 0.123 -2.692 1.00 0.00 O ATOM 0 H GLU A 4 -4.841 1.537 -4.237 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.818 3.165 -3.075 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.592 0.545 -4.111 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.155 0.352 -2.463 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.484 2.565 -3.942 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.769 0.979 -4.630 1.00 0.00 H new ATOM 63 N GLU A 5 -4.795 1.669 -1.024 1.00 0.00 N ATOM 64 CA GLU A 5 -4.388 1.563 0.367 1.00 0.00 C ATOM 65 C GLU A 5 -4.201 2.955 0.973 1.00 0.00 C ATOM 66 O GLU A 5 -4.513 3.174 2.142 1.00 0.00 O ATOM 67 CB GLU A 5 -3.113 0.730 0.503 1.00 0.00 C ATOM 68 CG GLU A 5 -3.411 -0.629 1.141 1.00 0.00 C ATOM 69 CD GLU A 5 -2.336 -1.001 2.164 1.00 0.00 C ATOM 70 OE1 GLU A 5 -1.178 -0.582 1.950 1.00 0.00 O ATOM 71 OE2 GLU A 5 -2.697 -1.697 3.138 1.00 0.00 O ATOM 0 H GLU A 5 -4.127 1.287 -1.694 1.00 0.00 H new ATOM 0 HA GLU A 5 -5.177 1.052 0.918 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -2.663 0.584 -0.479 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -2.385 1.269 1.110 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.386 -0.601 1.627 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.462 -1.395 0.367 1.00 0.00 H new ATOM 78 N LEU A 6 -3.693 3.861 0.150 1.00 0.00 N ATOM 79 CA LEU A 6 -3.460 5.226 0.590 1.00 0.00 C ATOM 80 C LEU A 6 -4.775 5.826 1.092 1.00 0.00 C ATOM 81 O LEU A 6 -4.790 6.558 2.080 1.00 0.00 O ATOM 82 CB LEU A 6 -2.796 6.041 -0.521 1.00 0.00 C ATOM 83 CG LEU A 6 -1.269 5.969 -0.585 1.00 0.00 C ATOM 84 CD1 LEU A 6 -0.729 6.797 -1.753 1.00 0.00 C ATOM 85 CD2 LEU A 6 -0.644 6.384 0.749 1.00 0.00 C ATOM 0 H LEU A 6 -3.436 3.676 -0.820 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.761 5.243 1.426 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.196 5.707 -1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.086 7.085 -0.401 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.984 4.933 -0.766 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.359 6.728 -1.775 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.136 6.415 -2.689 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.024 7.839 -1.628 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.442 6.324 0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.936 7.407 0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.992 5.717 1.537 1.00 0.00 H new ATOM 97 N LYS A 7 -5.847 5.494 0.387 1.00 0.00 N ATOM 98 CA LYS A 7 -7.164 5.992 0.748 1.00 0.00 C ATOM 99 C LYS A 7 -7.615 5.328 2.051 1.00 0.00 C ATOM 100 O LYS A 7 -8.008 6.011 2.996 1.00 0.00 O ATOM 101 CB LYS A 7 -8.145 5.802 -0.410 1.00 0.00 C ATOM 102 CG LYS A 7 -9.045 7.028 -0.573 1.00 0.00 C ATOM 103 CD LYS A 7 -10.405 6.801 0.090 1.00 0.00 C ATOM 104 CE LYS A 7 -11.273 5.860 -0.748 1.00 0.00 C ATOM 105 NZ LYS A 7 -12.030 4.936 0.127 1.00 0.00 N ATOM 0 H LYS A 7 -5.830 4.886 -0.432 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.128 7.066 0.932 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.593 5.626 -1.333 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -8.757 4.918 -0.231 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.562 7.900 -0.131 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.184 7.243 -1.632 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.263 6.380 1.085 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.915 7.756 0.217 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.965 6.441 -1.358 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -10.645 5.290 -1.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -12.614 4.304 -0.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -11.365 4.369 0.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -12.644 5.484 0.763 1.00 0.00 H new ATOM 119 N GLY A 8 -7.544 4.005 2.059 1.00 0.00 N ATOM 120 CA GLY A 8 -7.940 3.242 3.230 1.00 0.00 C ATOM 121 C GLY A 8 -7.145 3.677 4.463 1.00 0.00 C ATOM 122 O GLY A 8 -7.725 4.100 5.462 1.00 0.00 O ATOM 0 H GLY A 8 -7.218 3.442 1.273 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -9.006 3.378 3.414 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -7.781 2.179 3.047 1.00 0.00 H new ATOM 126 N ILE A 9 -5.830 3.557 4.353 1.00 0.00 N ATOM 127 CA ILE A 9 -4.950 3.933 5.446 1.00 0.00 C ATOM 128 C ILE A 9 -5.252 5.373 5.866 1.00 0.00 C ATOM 129 O ILE A 9 -5.387 5.662 7.054 1.00 0.00 O ATOM 130 CB ILE A 9 -3.488 3.698 5.062 1.00 0.00 C ATOM 131 CG1 ILE A 9 -3.090 2.238 5.289 1.00 0.00 C ATOM 132 CG2 ILE A 9 -2.564 4.666 5.803 1.00 0.00 C ATOM 133 CD1 ILE A 9 -1.604 2.023 4.993 1.00 0.00 C ATOM 0 H ILE A 9 -5.353 3.205 3.523 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.132 3.302 6.316 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.378 3.900 3.997 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.304 1.955 6.320 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.689 1.590 4.649 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.531 4.477 5.512 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.832 5.691 5.548 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.671 4.520 6.878 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.347 0.977 5.162 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.398 2.284 3.955 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.007 2.654 5.651 1.00 0.00 H new ATOM 145 N PHE A 10 -5.348 6.239 4.867 1.00 0.00 N ATOM 146 CA PHE A 10 -5.631 7.642 5.118 1.00 0.00 C ATOM 147 C PHE A 10 -6.856 7.801 6.022 1.00 0.00 C ATOM 148 O PHE A 10 -6.784 8.457 7.060 1.00 0.00 O ATOM 149 CB PHE A 10 -5.925 8.288 3.763 1.00 0.00 C ATOM 150 CG PHE A 10 -6.753 9.572 3.852 1.00 0.00 C ATOM 151 CD1 PHE A 10 -8.111 9.504 3.891 1.00 0.00 C ATOM 152 CD2 PHE A 10 -6.131 10.780 3.891 1.00 0.00 C ATOM 153 CE1 PHE A 10 -8.879 10.695 3.974 1.00 0.00 C ATOM 154 CE2 PHE A 10 -6.900 11.972 3.974 1.00 0.00 C ATOM 155 CZ PHE A 10 -8.257 11.904 4.014 1.00 0.00 C ATOM 0 H PHE A 10 -5.235 5.996 3.883 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.782 8.110 5.616 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.981 8.510 3.266 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.454 7.570 3.137 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.605 8.544 3.859 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.053 10.834 3.859 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -9.957 10.641 4.005 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -6.406 12.932 4.005 1.00 0.00 H new ATOM 0 HZ PHE A 10 -8.841 12.810 4.078 1.00 0.00 H new ATOM 165 N GLU A 11 -7.951 7.190 5.594 1.00 0.00 N ATOM 166 CA GLU A 11 -9.189 7.256 6.352 1.00 0.00 C ATOM 167 C GLU A 11 -8.999 6.629 7.735 1.00 0.00 C ATOM 168 O GLU A 11 -9.557 7.110 8.720 1.00 0.00 O ATOM 169 CB GLU A 11 -10.332 6.577 5.594 1.00 0.00 C ATOM 170 CG GLU A 11 -11.421 7.587 5.227 1.00 0.00 C ATOM 171 CD GLU A 11 -12.813 6.964 5.359 1.00 0.00 C ATOM 172 OE1 GLU A 11 -13.103 6.049 4.558 1.00 0.00 O ATOM 173 OE2 GLU A 11 -13.554 7.417 6.257 1.00 0.00 O ATOM 0 H GLU A 11 -8.007 6.647 4.732 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.456 8.304 6.484 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.945 6.108 4.689 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.759 5.783 6.207 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -11.346 8.460 5.876 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -11.270 7.935 4.205 1.00 0.00 H new ATOM 180 N LYS A 12 -8.210 5.565 7.763 1.00 0.00 N ATOM 181 CA LYS A 12 -7.940 4.867 9.009 1.00 0.00 C ATOM 182 C LYS A 12 -7.303 5.839 10.005 1.00 0.00 C ATOM 183 O LYS A 12 -7.405 5.648 11.216 1.00 0.00 O ATOM 184 CB LYS A 12 -7.101 3.614 8.750 1.00 0.00 C ATOM 185 CG LYS A 12 -6.871 2.831 10.045 1.00 0.00 C ATOM 186 CD LYS A 12 -5.473 2.211 10.069 1.00 0.00 C ATOM 187 CE LYS A 12 -5.285 1.331 11.306 1.00 0.00 C ATOM 188 NZ LYS A 12 -4.744 0.007 10.924 1.00 0.00 N ATOM 0 H LYS A 12 -7.749 5.169 6.944 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.869 4.514 9.457 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.605 2.979 8.021 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.142 3.897 8.317 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.994 3.494 10.902 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.622 2.047 10.138 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.319 1.616 9.168 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.721 3.000 10.062 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.607 1.819 12.007 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.239 1.206 11.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.623 -0.577 11.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.405 -0.463 10.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.824 0.130 10.455 1.00 0.00 H new ATOM 202 N TYR A 13 -6.659 6.859 9.458 1.00 0.00 N ATOM 203 CA TYR A 13 -6.005 7.861 10.283 1.00 0.00 C ATOM 204 C TYR A 13 -6.913 9.074 10.495 1.00 0.00 C ATOM 205 O TYR A 13 -7.068 9.548 11.620 1.00 0.00 O ATOM 206 CB TYR A 13 -4.761 8.299 9.507 1.00 0.00 C ATOM 207 CG TYR A 13 -3.483 7.564 9.914 1.00 0.00 C ATOM 208 CD1 TYR A 13 -3.147 6.374 9.301 1.00 0.00 C ATOM 209 CD2 TYR A 13 -2.665 8.091 10.893 1.00 0.00 C ATOM 210 CE1 TYR A 13 -1.943 5.681 9.684 1.00 0.00 C ATOM 211 CE2 TYR A 13 -1.462 7.398 11.276 1.00 0.00 C ATOM 212 CZ TYR A 13 -1.161 6.228 10.653 1.00 0.00 C ATOM 213 OH TYR A 13 -0.024 5.574 11.014 1.00 0.00 O ATOM 0 H TYR A 13 -6.576 7.014 8.453 1.00 0.00 H new ATOM 0 HA TYR A 13 -5.763 7.453 11.264 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -4.935 8.141 8.443 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.614 9.369 9.651 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.786 5.962 8.534 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.927 9.023 11.372 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.668 4.749 9.213 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.814 7.799 12.041 1.00 0.00 H new ATOM 0 HH TYR A 13 0.063 4.753 10.485 1.00 0.00 H new ATOM 223 N ALA A 14 -7.489 9.541 9.398 1.00 0.00 N ATOM 224 CA ALA A 14 -8.377 10.690 9.450 1.00 0.00 C ATOM 225 C ALA A 14 -9.540 10.387 10.396 1.00 0.00 C ATOM 226 O ALA A 14 -10.187 11.302 10.904 1.00 0.00 O ATOM 227 CB ALA A 14 -8.850 11.034 8.036 1.00 0.00 C ATOM 0 H ALA A 14 -7.358 9.145 8.467 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.853 11.563 9.840 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.516 11.896 8.075 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.988 11.269 7.411 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.383 10.182 7.613 1.00 0.00 H new ATOM 233 N ALA A 15 -9.771 9.099 10.606 1.00 0.00 N ATOM 234 CA ALA A 15 -10.845 8.665 11.483 1.00 0.00 C ATOM 235 C ALA A 15 -10.343 8.650 12.928 1.00 0.00 C ATOM 236 O ALA A 15 -11.137 8.727 13.865 1.00 0.00 O ATOM 237 CB ALA A 15 -11.352 7.295 11.028 1.00 0.00 C ATOM 0 H ALA A 15 -9.233 8.342 10.184 1.00 0.00 H new ATOM 0 HA ALA A 15 -11.685 9.357 11.433 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -12.158 6.969 11.685 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -11.724 7.366 10.006 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -10.536 6.573 11.068 1.00 0.00 H new ATOM 243 N LYS A 16 -9.029 8.552 13.064 1.00 0.00 N ATOM 244 CA LYS A 16 -8.412 8.527 14.379 1.00 0.00 C ATOM 245 C LYS A 16 -8.866 9.753 15.174 1.00 0.00 C ATOM 246 O LYS A 16 -9.554 9.623 16.185 1.00 0.00 O ATOM 247 CB LYS A 16 -6.893 8.401 14.256 1.00 0.00 C ATOM 248 CG LYS A 16 -6.354 7.319 15.194 1.00 0.00 C ATOM 249 CD LYS A 16 -4.832 7.410 15.320 1.00 0.00 C ATOM 250 CE LYS A 16 -4.366 6.930 16.696 1.00 0.00 C ATOM 251 NZ LYS A 16 -4.163 5.464 16.692 1.00 0.00 N ATOM 0 H LYS A 16 -8.374 8.489 12.285 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.737 7.648 14.936 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.627 8.160 13.227 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.425 9.357 14.491 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.811 7.425 16.178 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.633 6.335 14.818 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.363 6.807 14.542 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.511 8.440 15.162 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.437 7.431 16.967 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.105 7.199 17.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.847 5.155 17.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.058 4.990 16.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.441 5.215 15.986 1.00 0.00 H new ATOM 265 N GLU A 17 -8.461 10.917 14.686 1.00 0.00 N ATOM 266 CA GLU A 17 -8.817 12.166 15.338 1.00 0.00 C ATOM 267 C GLU A 17 -9.645 13.040 14.394 1.00 0.00 C ATOM 268 O GLU A 17 -9.253 13.269 13.251 1.00 0.00 O ATOM 269 CB GLU A 17 -7.569 12.908 15.819 1.00 0.00 C ATOM 270 CG GLU A 17 -6.964 12.224 17.047 1.00 0.00 C ATOM 271 CD GLU A 17 -6.648 13.244 18.143 1.00 0.00 C ATOM 272 OE1 GLU A 17 -5.984 14.249 17.809 1.00 0.00 O ATOM 273 OE2 GLU A 17 -7.078 12.996 19.290 1.00 0.00 O ATOM 0 H GLU A 17 -7.890 11.021 13.847 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.423 11.936 16.214 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.831 12.944 15.018 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.826 13.939 16.062 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.658 11.476 17.430 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.053 11.697 16.762 1.00 0.00 H new ATOM 280 N GLY A 18 -10.774 13.505 14.907 1.00 0.00 N ATOM 281 CA GLY A 18 -11.661 14.349 14.125 1.00 0.00 C ATOM 282 C GLY A 18 -12.272 13.570 12.958 1.00 0.00 C ATOM 283 O GLY A 18 -11.996 12.383 12.788 1.00 0.00 O ATOM 0 H GLY A 18 -11.095 13.313 15.856 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -12.455 14.738 14.763 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.109 15.208 13.744 1.00 0.00 H new ATOM 287 N ASP A 19 -13.090 14.269 12.185 1.00 0.00 N ATOM 288 CA ASP A 19 -13.742 13.657 11.040 1.00 0.00 C ATOM 289 C ASP A 19 -12.678 13.143 10.067 1.00 0.00 C ATOM 290 O ASP A 19 -11.684 13.820 9.814 1.00 0.00 O ATOM 291 CB ASP A 19 -14.612 14.672 10.295 1.00 0.00 C ATOM 292 CG ASP A 19 -15.869 14.091 9.644 1.00 0.00 C ATOM 293 OD1 ASP A 19 -15.710 13.416 8.604 1.00 0.00 O ATOM 294 OD2 ASP A 19 -16.961 14.335 10.202 1.00 0.00 O ATOM 0 H ASP A 19 -13.316 15.253 12.329 1.00 0.00 H new ATOM 0 HA ASP A 19 -14.368 12.842 11.404 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -14.911 15.454 10.993 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -14.008 15.148 9.523 1.00 0.00 H new ATOM 299 N PRO A 20 -12.931 11.917 9.536 1.00 0.00 N ATOM 300 CA PRO A 20 -12.007 11.303 8.597 1.00 0.00 C ATOM 301 C PRO A 20 -12.108 11.960 7.219 1.00 0.00 C ATOM 302 O PRO A 20 -11.402 11.573 6.289 1.00 0.00 O ATOM 303 CB PRO A 20 -12.381 9.830 8.582 1.00 0.00 C ATOM 304 CG PRO A 20 -13.789 9.752 9.151 1.00 0.00 C ATOM 305 CD PRO A 20 -14.098 11.085 9.813 1.00 0.00 C ATOM 0 HA PRO A 20 -10.964 11.432 8.888 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.346 9.428 7.569 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.684 9.244 9.181 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -14.509 9.542 8.360 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -13.864 8.940 9.874 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -15.006 11.529 9.405 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -14.255 10.967 10.885 1.00 0.00 H new ATOM 313 N ASN A 21 -12.992 12.943 7.131 1.00 0.00 N ATOM 314 CA ASN A 21 -13.196 13.657 5.882 1.00 0.00 C ATOM 315 C ASN A 21 -12.234 14.845 5.817 1.00 0.00 C ATOM 316 O ASN A 21 -12.100 15.484 4.774 1.00 0.00 O ATOM 317 CB ASN A 21 -14.623 14.199 5.783 1.00 0.00 C ATOM 318 CG ASN A 21 -14.657 15.517 5.007 1.00 0.00 C ATOM 319 OD1 ASN A 21 -14.386 16.588 5.748 1.00 0.00 O flip ATOM 320 ND2 ASN A 21 -14.912 15.559 3.815 1.00 0.00 N flip ATOM 0 H ASN A 21 -13.575 13.262 7.905 1.00 0.00 H new ATOM 0 HA ASN A 21 -13.018 12.961 5.063 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -15.261 13.466 5.289 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -15.028 14.351 6.783 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -15.111 14.698 3.305 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -14.926 16.455 3.328 1.00 0.00 H new ATOM 327 N GLN A 22 -11.589 15.106 6.945 1.00 0.00 N ATOM 328 CA GLN A 22 -10.644 16.206 7.029 1.00 0.00 C ATOM 329 C GLN A 22 -9.435 15.804 7.876 1.00 0.00 C ATOM 330 O GLN A 22 -9.591 15.264 8.970 1.00 0.00 O ATOM 331 CB GLN A 22 -11.313 17.463 7.590 1.00 0.00 C ATOM 332 CG GLN A 22 -12.164 17.129 8.817 1.00 0.00 C ATOM 333 CD GLN A 22 -13.559 17.746 8.700 1.00 0.00 C ATOM 334 OE1 GLN A 22 -13.994 18.165 7.640 1.00 0.00 O ATOM 335 NE2 GLN A 22 -14.233 17.780 9.846 1.00 0.00 N ATOM 0 H GLN A 22 -11.703 14.574 7.808 1.00 0.00 H new ATOM 0 HA GLN A 22 -10.297 16.438 6.022 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -10.552 18.195 7.859 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -11.938 17.920 6.823 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -12.248 16.047 8.922 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.673 17.499 9.717 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -13.810 17.412 10.698 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -15.173 18.174 9.873 1.00 0.00 H new ATOM 344 N LEU A 23 -8.256 16.083 7.339 1.00 0.00 N ATOM 345 CA LEU A 23 -7.022 15.757 8.032 1.00 0.00 C ATOM 346 C LEU A 23 -6.604 16.942 8.905 1.00 0.00 C ATOM 347 O LEU A 23 -6.955 18.084 8.616 1.00 0.00 O ATOM 348 CB LEU A 23 -5.947 15.318 7.035 1.00 0.00 C ATOM 349 CG LEU A 23 -6.029 13.867 6.556 1.00 0.00 C ATOM 350 CD1 LEU A 23 -5.287 12.932 7.514 1.00 0.00 C ATOM 351 CD2 LEU A 23 -7.483 13.439 6.348 1.00 0.00 C ATOM 0 H LEU A 23 -8.130 16.531 6.432 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.172 14.907 8.698 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.999 15.971 6.164 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.970 15.474 7.492 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.532 13.798 5.588 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.360 11.907 7.151 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.238 13.224 7.568 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.733 12.999 8.506 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.512 12.404 6.008 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.026 13.527 7.289 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.948 14.081 5.599 1.00 0.00 H new ATOM 363 N SER A 24 -5.859 16.628 9.955 1.00 0.00 N ATOM 364 CA SER A 24 -5.389 17.653 10.871 1.00 0.00 C ATOM 365 C SER A 24 -3.875 17.532 11.060 1.00 0.00 C ATOM 366 O SER A 24 -3.289 16.495 10.753 1.00 0.00 O ATOM 367 CB SER A 24 -6.102 17.553 12.221 1.00 0.00 C ATOM 368 OG SER A 24 -7.520 17.558 12.078 1.00 0.00 O ATOM 0 H SER A 24 -5.570 15.679 10.191 1.00 0.00 H new ATOM 0 HA SER A 24 -5.618 18.628 10.441 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.792 16.639 12.728 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.799 18.387 12.854 1.00 0.00 H new ATOM 0 HG SER A 24 -7.938 17.491 12.962 1.00 0.00 H new ATOM 374 N LYS A 25 -3.286 18.606 11.565 1.00 0.00 N ATOM 375 CA LYS A 25 -1.853 18.633 11.799 1.00 0.00 C ATOM 376 C LYS A 25 -1.461 17.446 12.680 1.00 0.00 C ATOM 377 O LYS A 25 -0.651 16.611 12.280 1.00 0.00 O ATOM 378 CB LYS A 25 -1.428 19.988 12.368 1.00 0.00 C ATOM 379 CG LYS A 25 0.093 20.072 12.508 1.00 0.00 C ATOM 380 CD LYS A 25 0.486 20.749 13.823 1.00 0.00 C ATOM 381 CE LYS A 25 1.029 22.157 13.573 1.00 0.00 C ATOM 382 NZ LYS A 25 0.738 23.037 14.727 1.00 0.00 N ATOM 0 H LYS A 25 -3.776 19.464 11.819 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.312 18.524 10.859 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.781 20.787 11.716 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.895 20.140 13.341 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.521 19.070 12.468 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.509 20.630 11.669 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.380 20.801 14.483 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.240 20.150 14.334 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.105 22.113 13.403 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.580 22.571 12.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.113 23.989 14.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.291 23.092 14.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.187 22.649 15.581 1.00 0.00 H new ATOM 396 N GLU A 26 -2.056 17.408 13.864 1.00 0.00 N ATOM 397 CA GLU A 26 -1.779 16.336 14.806 1.00 0.00 C ATOM 398 C GLU A 26 -2.032 14.976 14.152 1.00 0.00 C ATOM 399 O GLU A 26 -1.290 14.023 14.387 1.00 0.00 O ATOM 400 CB GLU A 26 -2.614 16.496 16.078 1.00 0.00 C ATOM 401 CG GLU A 26 -1.717 16.698 17.301 1.00 0.00 C ATOM 402 CD GLU A 26 -2.243 15.912 18.503 1.00 0.00 C ATOM 403 OE1 GLU A 26 -2.793 14.815 18.267 1.00 0.00 O ATOM 404 OE2 GLU A 26 -2.082 16.426 19.631 1.00 0.00 O ATOM 0 H GLU A 26 -2.728 18.102 14.192 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.728 16.391 15.090 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.286 17.347 15.971 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.237 15.613 16.222 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.702 16.377 17.068 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.667 17.758 17.549 1.00 0.00 H new ATOM 411 N GLU A 27 -3.080 14.930 13.343 1.00 0.00 N ATOM 412 CA GLU A 27 -3.440 13.702 12.654 1.00 0.00 C ATOM 413 C GLU A 27 -2.347 13.315 11.655 1.00 0.00 C ATOM 414 O GLU A 27 -1.774 12.230 11.745 1.00 0.00 O ATOM 415 CB GLU A 27 -4.795 13.841 11.957 1.00 0.00 C ATOM 416 CG GLU A 27 -5.887 13.097 12.728 1.00 0.00 C ATOM 417 CD GLU A 27 -6.574 12.058 11.839 1.00 0.00 C ATOM 418 OE1 GLU A 27 -5.889 11.553 10.923 1.00 0.00 O ATOM 419 OE2 GLU A 27 -7.768 11.792 12.097 1.00 0.00 O ATOM 0 H GLU A 27 -3.691 15.723 13.149 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.529 12.906 13.393 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.058 14.895 11.873 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.728 13.447 10.943 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.452 12.606 13.599 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.625 13.809 13.099 1.00 0.00 H new ATOM 426 N LEU A 28 -2.091 14.224 10.725 1.00 0.00 N ATOM 427 CA LEU A 28 -1.077 13.991 9.711 1.00 0.00 C ATOM 428 C LEU A 28 0.228 13.568 10.388 1.00 0.00 C ATOM 429 O LEU A 28 0.870 12.609 9.962 1.00 0.00 O ATOM 430 CB LEU A 28 -0.932 15.217 8.807 1.00 0.00 C ATOM 431 CG LEU A 28 -0.320 14.965 7.428 1.00 0.00 C ATOM 432 CD1 LEU A 28 -0.492 13.504 7.010 1.00 0.00 C ATOM 433 CD2 LEU A 28 -0.895 15.930 6.389 1.00 0.00 C ATOM 0 H LEU A 28 -2.568 15.123 10.653 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.375 13.173 9.055 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.918 15.661 8.669 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.320 15.955 9.325 1.00 0.00 H new ATOM 0 HG LEU A 28 0.751 15.158 7.489 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.048 13.352 6.026 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.003 12.858 7.735 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.553 13.259 6.971 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.443 15.730 5.417 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.974 15.793 6.323 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.677 16.956 6.686 1.00 0.00 H new ATOM 445 N LYS A 29 0.582 14.305 11.431 1.00 0.00 N ATOM 446 CA LYS A 29 1.799 14.018 12.171 1.00 0.00 C ATOM 447 C LYS A 29 1.933 12.505 12.359 1.00 0.00 C ATOM 448 O LYS A 29 2.943 11.916 11.979 1.00 0.00 O ATOM 449 CB LYS A 29 1.827 14.805 13.483 1.00 0.00 C ATOM 450 CG LYS A 29 3.131 14.558 14.244 1.00 0.00 C ATOM 451 CD LYS A 29 3.350 15.625 15.318 1.00 0.00 C ATOM 452 CE LYS A 29 2.971 15.095 16.702 1.00 0.00 C ATOM 453 NZ LYS A 29 1.500 15.074 16.865 1.00 0.00 N ATOM 0 H LYS A 29 0.047 15.100 11.781 1.00 0.00 H new ATOM 0 HA LYS A 29 2.672 14.348 11.609 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.720 15.870 13.275 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.979 14.514 14.103 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.105 13.571 14.707 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.969 14.561 13.547 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.394 15.938 15.318 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.753 16.507 15.086 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.372 14.090 16.835 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.419 15.722 17.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.247 15.477 17.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.059 15.637 16.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.159 14.093 16.810 1.00 0.00 H new ATOM 467 N LEU A 30 0.898 11.921 12.945 1.00 0.00 N ATOM 468 CA LEU A 30 0.887 10.488 13.187 1.00 0.00 C ATOM 469 C LEU A 30 1.159 9.751 11.874 1.00 0.00 C ATOM 470 O LEU A 30 2.084 8.944 11.792 1.00 0.00 O ATOM 471 CB LEU A 30 -0.418 10.070 13.868 1.00 0.00 C ATOM 472 CG LEU A 30 -0.723 10.747 15.205 1.00 0.00 C ATOM 473 CD1 LEU A 30 -1.767 9.956 15.995 1.00 0.00 C ATOM 474 CD2 LEU A 30 0.557 10.971 16.012 1.00 0.00 C ATOM 0 H LEU A 30 0.062 12.414 13.259 1.00 0.00 H new ATOM 0 HA LEU A 30 1.683 10.212 13.878 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.242 10.272 13.184 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.393 8.992 14.027 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.150 11.729 15.000 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.965 10.459 16.941 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.689 9.893 15.417 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.391 8.952 16.190 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.311 11.454 16.958 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.036 10.012 16.208 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.237 11.607 15.446 1.00 0.00 H new ATOM 486 N LEU A 31 0.337 10.054 10.881 1.00 0.00 N ATOM 487 CA LEU A 31 0.478 9.430 9.576 1.00 0.00 C ATOM 488 C LEU A 31 1.934 9.539 9.118 1.00 0.00 C ATOM 489 O LEU A 31 2.615 8.527 8.960 1.00 0.00 O ATOM 490 CB LEU A 31 -0.525 10.027 8.586 1.00 0.00 C ATOM 491 CG LEU A 31 -0.975 9.106 7.451 1.00 0.00 C ATOM 492 CD1 LEU A 31 -2.492 8.904 7.477 1.00 0.00 C ATOM 493 CD2 LEU A 31 -0.490 9.627 6.096 1.00 0.00 C ATOM 0 H LEU A 31 -0.429 10.723 10.953 1.00 0.00 H new ATOM 0 HA LEU A 31 0.240 8.368 9.634 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.408 10.345 9.141 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.084 10.922 8.148 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.517 8.129 7.603 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.785 8.245 6.660 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.783 8.456 8.427 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.989 9.867 7.363 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.824 8.954 5.307 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.899 10.622 5.921 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.599 9.677 6.094 1.00 0.00 H new ATOM 505 N LEU A 32 2.367 10.775 8.918 1.00 0.00 N ATOM 506 CA LEU A 32 3.729 11.028 8.481 1.00 0.00 C ATOM 507 C LEU A 32 4.702 10.303 9.412 1.00 0.00 C ATOM 508 O LEU A 32 5.850 10.056 9.046 1.00 0.00 O ATOM 509 CB LEU A 32 3.986 12.533 8.374 1.00 0.00 C ATOM 510 CG LEU A 32 3.014 13.318 7.491 1.00 0.00 C ATOM 511 CD1 LEU A 32 3.211 14.825 7.665 1.00 0.00 C ATOM 512 CD2 LEU A 32 3.135 12.890 6.027 1.00 0.00 C ATOM 0 H LEU A 32 1.799 11.612 9.051 1.00 0.00 H new ATOM 0 HA LEU A 32 3.888 10.628 7.480 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.959 12.958 9.377 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.996 12.683 7.991 1.00 0.00 H new ATOM 0 HG LEU A 32 1.998 13.086 7.811 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.508 15.360 7.026 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.035 15.097 8.706 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.230 15.093 7.387 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.433 13.463 5.421 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.151 13.074 5.677 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.907 11.828 5.938 1.00 0.00 H new ATOM 524 N GLN A 33 4.208 9.982 10.599 1.00 0.00 N ATOM 525 CA GLN A 33 5.019 9.290 11.585 1.00 0.00 C ATOM 526 C GLN A 33 5.276 7.847 11.144 1.00 0.00 C ATOM 527 O GLN A 33 6.410 7.373 11.191 1.00 0.00 O ATOM 528 CB GLN A 33 4.359 9.331 12.965 1.00 0.00 C ATOM 529 CG GLN A 33 5.369 9.727 14.044 1.00 0.00 C ATOM 530 CD GLN A 33 4.719 10.621 15.102 1.00 0.00 C ATOM 531 OE1 GLN A 33 5.193 11.700 15.416 1.00 0.00 O ATOM 532 NE2 GLN A 33 3.609 10.114 15.631 1.00 0.00 N ATOM 0 H GLN A 33 3.256 10.189 10.900 1.00 0.00 H new ATOM 0 HA GLN A 33 5.978 9.803 11.661 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.533 10.042 12.956 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.936 8.354 13.199 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.771 8.831 14.517 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.209 10.250 13.587 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.267 9.204 15.323 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.100 10.635 16.345 1.00 0.00 H new ATOM 541 N THR A 34 4.205 7.191 10.725 1.00 0.00 N ATOM 542 CA THR A 34 4.300 5.812 10.275 1.00 0.00 C ATOM 543 C THR A 34 4.320 5.750 8.747 1.00 0.00 C ATOM 544 O THR A 34 5.214 5.143 8.158 1.00 0.00 O ATOM 545 CB THR A 34 3.143 5.030 10.900 1.00 0.00 C ATOM 546 OG1 THR A 34 3.741 4.340 11.994 1.00 0.00 O ATOM 547 CG2 THR A 34 2.632 3.912 9.988 1.00 0.00 C ATOM 0 H THR A 34 3.266 7.588 10.687 1.00 0.00 H new ATOM 0 HA THR A 34 5.234 5.353 10.600 1.00 0.00 H new ATOM 0 HB THR A 34 2.325 5.713 11.130 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.060 3.809 12.457 1.00 0.00 H new ATOM 0 HG21 THR A 34 1.812 3.388 10.479 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.279 4.340 9.050 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.441 3.210 9.785 1.00 0.00 H new ATOM 555 N GLU A 35 3.325 6.386 8.147 1.00 0.00 N ATOM 556 CA GLU A 35 3.217 6.411 6.698 1.00 0.00 C ATOM 557 C GLU A 35 4.569 6.756 6.071 1.00 0.00 C ATOM 558 O GLU A 35 5.089 5.999 5.252 1.00 0.00 O ATOM 559 CB GLU A 35 2.136 7.394 6.246 1.00 0.00 C ATOM 560 CG GLU A 35 2.135 7.545 4.723 1.00 0.00 C ATOM 561 CD GLU A 35 0.842 6.995 4.118 1.00 0.00 C ATOM 562 OE1 GLU A 35 -0.200 7.658 4.309 1.00 0.00 O ATOM 563 OE2 GLU A 35 0.925 5.924 3.479 1.00 0.00 O ATOM 0 H GLU A 35 2.586 6.888 8.638 1.00 0.00 H new ATOM 0 HA GLU A 35 2.924 5.418 6.358 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.159 7.045 6.581 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.305 8.365 6.711 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.246 8.597 4.458 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.991 7.018 4.301 1.00 0.00 H new ATOM 570 N PHE A 36 5.101 7.898 6.480 1.00 0.00 N ATOM 571 CA PHE A 36 6.383 8.352 5.969 1.00 0.00 C ATOM 572 C PHE A 36 7.109 9.219 7.000 1.00 0.00 C ATOM 573 O PHE A 36 6.959 10.440 7.005 1.00 0.00 O ATOM 574 CB PHE A 36 6.095 9.194 4.724 1.00 0.00 C ATOM 575 CG PHE A 36 5.534 8.393 3.547 1.00 0.00 C ATOM 576 CD1 PHE A 36 6.258 7.375 3.011 1.00 0.00 C ATOM 577 CD2 PHE A 36 4.311 8.700 3.038 1.00 0.00 C ATOM 578 CE1 PHE A 36 5.737 6.631 1.919 1.00 0.00 C ATOM 579 CE2 PHE A 36 3.790 7.957 1.946 1.00 0.00 C ATOM 580 CZ PHE A 36 4.514 6.938 1.410 1.00 0.00 C ATOM 0 H PHE A 36 4.667 8.523 7.160 1.00 0.00 H new ATOM 0 HA PHE A 36 7.018 7.495 5.743 1.00 0.00 H new ATOM 0 HB2 PHE A 36 5.387 9.980 4.986 1.00 0.00 H new ATOM 0 HB3 PHE A 36 7.016 9.686 4.410 1.00 0.00 H new ATOM 0 HD1 PHE A 36 7.229 7.132 3.415 1.00 0.00 H new ATOM 0 HD2 PHE A 36 3.736 9.509 3.464 1.00 0.00 H new ATOM 0 HE1 PHE A 36 6.312 5.822 1.493 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.819 8.201 1.541 1.00 0.00 H new ATOM 0 HZ PHE A 36 4.117 6.372 0.580 1.00 0.00 H new ATOM 590 N PRO A 37 7.900 8.537 7.870 1.00 0.00 N ATOM 591 CA PRO A 37 8.649 9.231 8.903 1.00 0.00 C ATOM 592 C PRO A 37 9.863 9.951 8.311 1.00 0.00 C ATOM 593 O PRO A 37 10.482 10.780 8.975 1.00 0.00 O ATOM 594 CB PRO A 37 9.029 8.154 9.906 1.00 0.00 C ATOM 595 CG PRO A 37 8.883 6.831 9.171 1.00 0.00 C ATOM 596 CD PRO A 37 8.101 7.091 7.894 1.00 0.00 C ATOM 0 HA PRO A 37 8.069 10.018 9.385 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.050 8.293 10.261 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.380 8.189 10.781 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.863 6.412 8.940 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.364 6.103 9.795 1.00 0.00 H new ATOM 0 HD2 PRO A 37 8.652 6.753 7.016 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.150 6.559 7.897 1.00 0.00 H new ATOM 604 N SER A 38 10.165 9.607 7.067 1.00 0.00 N ATOM 605 CA SER A 38 11.293 10.210 6.378 1.00 0.00 C ATOM 606 C SER A 38 10.957 11.649 5.983 1.00 0.00 C ATOM 607 O SER A 38 11.819 12.526 6.025 1.00 0.00 O ATOM 608 CB SER A 38 11.682 9.396 5.142 1.00 0.00 C ATOM 609 OG SER A 38 12.973 8.808 5.273 1.00 0.00 O ATOM 0 H SER A 38 9.648 8.919 6.519 1.00 0.00 H new ATOM 0 HA SER A 38 12.145 10.217 7.058 1.00 0.00 H new ATOM 0 HB2 SER A 38 10.942 8.613 4.977 1.00 0.00 H new ATOM 0 HB3 SER A 38 11.665 10.041 4.263 1.00 0.00 H new ATOM 0 HG SER A 38 13.183 8.296 4.464 1.00 0.00 H new ATOM 615 N LEU A 39 9.702 11.847 5.607 1.00 0.00 N ATOM 616 CA LEU A 39 9.241 13.165 5.204 1.00 0.00 C ATOM 617 C LEU A 39 9.242 14.094 6.419 1.00 0.00 C ATOM 618 O LEU A 39 9.248 15.316 6.272 1.00 0.00 O ATOM 619 CB LEU A 39 7.883 13.068 4.505 1.00 0.00 C ATOM 620 CG LEU A 39 7.842 13.543 3.052 1.00 0.00 C ATOM 621 CD1 LEU A 39 7.652 15.059 2.976 1.00 0.00 C ATOM 622 CD2 LEU A 39 9.084 13.081 2.288 1.00 0.00 C ATOM 0 H LEU A 39 8.990 11.117 5.573 1.00 0.00 H new ATOM 0 HA LEU A 39 9.921 13.598 4.470 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.554 12.029 4.536 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.160 13.649 5.077 1.00 0.00 H new ATOM 0 HG LEU A 39 6.979 13.086 2.568 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.626 15.371 1.932 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.714 15.333 3.460 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.480 15.555 3.482 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.029 13.432 1.258 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.976 13.489 2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.133 11.992 2.298 1.00 0.00 H new ATOM 634 N LEU A 40 9.236 13.481 7.594 1.00 0.00 N ATOM 635 CA LEU A 40 9.236 14.238 8.834 1.00 0.00 C ATOM 636 C LEU A 40 10.629 14.824 9.069 1.00 0.00 C ATOM 637 O LEU A 40 10.765 15.895 9.658 1.00 0.00 O ATOM 638 CB LEU A 40 8.730 13.372 9.990 1.00 0.00 C ATOM 639 CG LEU A 40 7.246 13.001 9.950 1.00 0.00 C ATOM 640 CD1 LEU A 40 6.911 11.966 11.026 1.00 0.00 C ATOM 641 CD2 LEU A 40 6.365 14.247 10.059 1.00 0.00 C ATOM 0 H LEU A 40 9.231 12.468 7.713 1.00 0.00 H new ATOM 0 HA LEU A 40 8.544 15.077 8.768 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.314 12.452 10.011 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.928 13.897 10.925 1.00 0.00 H new ATOM 0 HG LEU A 40 7.035 12.542 8.984 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.850 11.720 10.976 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.501 11.065 10.860 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.142 12.375 12.009 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.315 13.954 10.028 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.572 14.758 11.000 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.579 14.918 9.227 1.00 0.00 H new ATOM 653 N LYS A 41 11.630 14.096 8.595 1.00 0.00 N ATOM 654 CA LYS A 41 13.008 14.530 8.746 1.00 0.00 C ATOM 655 C LYS A 41 13.254 15.751 7.857 1.00 0.00 C ATOM 656 O LYS A 41 14.095 16.592 8.171 1.00 0.00 O ATOM 657 CB LYS A 41 13.968 13.370 8.477 1.00 0.00 C ATOM 658 CG LYS A 41 14.280 13.252 6.984 1.00 0.00 C ATOM 659 CD LYS A 41 15.690 13.760 6.676 1.00 0.00 C ATOM 660 CE LYS A 41 15.651 14.912 5.670 1.00 0.00 C ATOM 661 NZ LYS A 41 16.929 14.997 4.929 1.00 0.00 N ATOM 0 H LYS A 41 11.514 13.208 8.106 1.00 0.00 H new ATOM 0 HA LYS A 41 13.199 14.839 9.773 1.00 0.00 H new ATOM 0 HB2 LYS A 41 14.892 13.521 9.035 1.00 0.00 H new ATOM 0 HB3 LYS A 41 13.529 12.439 8.835 1.00 0.00 H new ATOM 0 HG2 LYS A 41 14.188 12.212 6.671 1.00 0.00 H new ATOM 0 HG3 LYS A 41 13.550 13.823 6.410 1.00 0.00 H new ATOM 0 HD2 LYS A 41 16.170 14.093 7.597 1.00 0.00 H new ATOM 0 HD3 LYS A 41 16.295 12.945 6.278 1.00 0.00 H new ATOM 0 HE2 LYS A 41 14.828 14.764 4.971 1.00 0.00 H new ATOM 0 HE3 LYS A 41 15.463 15.851 6.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 16.885 15.784 4.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 17.708 15.160 5.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 17.093 14.107 4.417 1.00 0.00 H new ATOM 675 N GLY A 42 12.506 15.808 6.766 1.00 0.00 N ATOM 676 CA GLY A 42 12.632 16.912 5.829 1.00 0.00 C ATOM 677 C GLY A 42 12.773 18.244 6.567 1.00 0.00 C ATOM 678 O GLY A 42 12.515 18.323 7.768 1.00 0.00 O ATOM 0 H GLY A 42 11.810 15.108 6.509 1.00 0.00 H new ATOM 0 HA2 GLY A 42 13.500 16.753 5.189 1.00 0.00 H new ATOM 0 HA3 GLY A 42 11.758 16.943 5.179 1.00 0.00 H new ATOM 682 N MET A 43 13.182 19.259 5.819 1.00 0.00 N ATOM 683 CA MET A 43 13.361 20.584 6.388 1.00 0.00 C ATOM 684 C MET A 43 12.012 21.261 6.635 1.00 0.00 C ATOM 685 O MET A 43 11.957 22.369 7.166 1.00 0.00 O ATOM 686 CB MET A 43 14.196 21.440 5.434 1.00 0.00 C ATOM 687 CG MET A 43 15.577 20.821 5.207 1.00 0.00 C ATOM 688 SD MET A 43 16.812 22.105 5.101 1.00 0.00 S ATOM 689 CE MET A 43 18.202 21.151 4.517 1.00 0.00 C ATOM 0 H MET A 43 13.394 19.190 4.824 1.00 0.00 H new ATOM 0 HA MET A 43 13.875 20.483 7.344 1.00 0.00 H new ATOM 0 HB2 MET A 43 13.677 21.540 4.481 1.00 0.00 H new ATOM 0 HB3 MET A 43 14.307 22.444 5.843 1.00 0.00 H new ATOM 0 HG2 MET A 43 15.818 20.140 6.023 1.00 0.00 H new ATOM 0 HG3 MET A 43 15.574 20.231 4.290 1.00 0.00 H new ATOM 0 HE1 MET A 43 19.066 21.804 4.395 1.00 0.00 H new ATOM 0 HE2 MET A 43 18.437 20.370 5.240 1.00 0.00 H new ATOM 0 HE3 MET A 43 17.954 20.696 3.558 1.00 0.00 H new ATOM 699 N SER A 44 10.956 20.567 6.237 1.00 0.00 N ATOM 700 CA SER A 44 9.610 21.087 6.408 1.00 0.00 C ATOM 701 C SER A 44 9.001 20.547 7.704 1.00 0.00 C ATOM 702 O SER A 44 8.502 19.424 7.738 1.00 0.00 O ATOM 703 CB SER A 44 8.724 20.726 5.215 1.00 0.00 C ATOM 704 OG SER A 44 9.173 21.343 4.011 1.00 0.00 O ATOM 0 H SER A 44 11.005 19.648 5.796 1.00 0.00 H new ATOM 0 HA SER A 44 9.669 22.174 6.467 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.713 19.644 5.086 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.698 21.033 5.419 1.00 0.00 H new ATOM 0 HG SER A 44 9.161 22.317 4.118 1.00 0.00 H new ATOM 710 N THR A 45 9.062 21.373 8.738 1.00 0.00 N ATOM 711 CA THR A 45 8.522 20.993 10.033 1.00 0.00 C ATOM 712 C THR A 45 7.027 20.690 9.919 1.00 0.00 C ATOM 713 O THR A 45 6.415 20.944 8.883 1.00 0.00 O ATOM 714 CB THR A 45 8.842 22.112 11.025 1.00 0.00 C ATOM 715 OG1 THR A 45 8.148 23.244 10.508 1.00 0.00 O ATOM 716 CG2 THR A 45 10.314 22.527 10.986 1.00 0.00 C ATOM 0 H THR A 45 9.477 22.304 8.706 1.00 0.00 H new ATOM 0 HA THR A 45 8.980 20.074 10.399 1.00 0.00 H new ATOM 0 HB THR A 45 8.584 21.787 12.033 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.300 24.016 11.093 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.487 23.324 11.709 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.940 21.670 11.234 1.00 0.00 H new ATOM 0 HG23 THR A 45 10.565 22.883 9.987 1.00 0.00 H new ATOM 724 N LEU A 46 6.481 20.151 10.999 1.00 0.00 N ATOM 725 CA LEU A 46 5.069 19.811 11.034 1.00 0.00 C ATOM 726 C LEU A 46 4.247 21.014 10.567 1.00 0.00 C ATOM 727 O LEU A 46 3.555 20.942 9.553 1.00 0.00 O ATOM 728 CB LEU A 46 4.675 19.298 12.421 1.00 0.00 C ATOM 729 CG LEU A 46 3.598 18.212 12.454 1.00 0.00 C ATOM 730 CD1 LEU A 46 2.564 18.432 11.348 1.00 0.00 C ATOM 731 CD2 LEU A 46 4.223 16.817 12.384 1.00 0.00 C ATOM 0 H LEU A 46 6.991 19.941 11.857 1.00 0.00 H new ATOM 0 HA LEU A 46 4.857 18.993 10.345 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.569 18.911 12.910 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.328 20.144 13.014 1.00 0.00 H new ATOM 0 HG LEU A 46 3.072 18.282 13.406 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.810 17.646 11.394 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.086 19.402 11.484 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.058 18.404 10.377 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.435 16.064 12.409 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.790 16.718 11.458 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.889 16.674 13.235 1.00 0.00 H new ATOM 743 N ASP A 47 4.351 22.093 11.330 1.00 0.00 N ATOM 744 CA ASP A 47 3.626 23.310 11.007 1.00 0.00 C ATOM 745 C ASP A 47 3.823 23.638 9.526 1.00 0.00 C ATOM 746 O ASP A 47 2.858 23.906 8.812 1.00 0.00 O ATOM 747 CB ASP A 47 4.144 24.493 11.826 1.00 0.00 C ATOM 748 CG ASP A 47 3.104 25.161 12.728 1.00 0.00 C ATOM 749 OD1 ASP A 47 2.082 25.618 12.173 1.00 0.00 O ATOM 750 OD2 ASP A 47 3.355 25.199 13.952 1.00 0.00 O ATOM 0 H ASP A 47 4.926 22.149 12.170 1.00 0.00 H new ATOM 0 HA ASP A 47 2.573 23.146 11.236 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.974 24.151 12.445 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.544 25.242 11.142 1.00 0.00 H new ATOM 755 N GLU A 48 5.080 23.605 9.107 1.00 0.00 N ATOM 756 CA GLU A 48 5.415 23.896 7.724 1.00 0.00 C ATOM 757 C GLU A 48 4.622 22.986 6.783 1.00 0.00 C ATOM 758 O GLU A 48 4.031 23.456 5.811 1.00 0.00 O ATOM 759 CB GLU A 48 6.920 23.754 7.483 1.00 0.00 C ATOM 760 CG GLU A 48 7.565 25.119 7.232 1.00 0.00 C ATOM 761 CD GLU A 48 8.795 24.986 6.331 1.00 0.00 C ATOM 762 OE1 GLU A 48 8.674 24.280 5.307 1.00 0.00 O ATOM 763 OE2 GLU A 48 9.828 25.594 6.687 1.00 0.00 O ATOM 0 H GLU A 48 5.878 23.381 9.701 1.00 0.00 H new ATOM 0 HA GLU A 48 5.142 24.930 7.514 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.387 23.280 8.346 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.095 23.102 6.627 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.840 25.788 6.768 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.852 25.570 8.182 1.00 0.00 H new ATOM 770 N LEU A 49 4.634 21.701 7.104 1.00 0.00 N ATOM 771 CA LEU A 49 3.923 20.722 6.299 1.00 0.00 C ATOM 772 C LEU A 49 2.425 21.030 6.335 1.00 0.00 C ATOM 773 O LEU A 49 1.752 20.973 5.307 1.00 0.00 O ATOM 774 CB LEU A 49 4.270 19.302 6.753 1.00 0.00 C ATOM 775 CG LEU A 49 4.588 18.301 5.640 1.00 0.00 C ATOM 776 CD1 LEU A 49 6.017 17.771 5.771 1.00 0.00 C ATOM 777 CD2 LEU A 49 3.557 17.171 5.609 1.00 0.00 C ATOM 0 H LEU A 49 5.125 21.315 7.910 1.00 0.00 H new ATOM 0 HA LEU A 49 4.237 20.785 5.257 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.128 19.355 7.423 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.435 18.914 7.336 1.00 0.00 H new ATOM 0 HG LEU A 49 4.525 18.821 4.684 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.217 17.062 4.968 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.720 18.601 5.706 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.133 17.272 6.733 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.806 16.473 4.809 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.564 16.646 6.564 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.566 17.588 5.431 1.00 0.00 H new ATOM 789 N PHE A 50 1.948 21.350 7.528 1.00 0.00 N ATOM 790 CA PHE A 50 0.541 21.668 7.711 1.00 0.00 C ATOM 791 C PHE A 50 0.123 22.839 6.820 1.00 0.00 C ATOM 792 O PHE A 50 -0.866 22.748 6.094 1.00 0.00 O ATOM 793 CB PHE A 50 0.360 22.068 9.177 1.00 0.00 C ATOM 794 CG PHE A 50 -1.099 22.269 9.591 1.00 0.00 C ATOM 795 CD1 PHE A 50 -2.027 21.319 9.297 1.00 0.00 C ATOM 796 CD2 PHE A 50 -1.468 23.398 10.253 1.00 0.00 C ATOM 797 CE1 PHE A 50 -3.381 21.506 9.681 1.00 0.00 C ATOM 798 CE2 PHE A 50 -2.822 23.585 10.638 1.00 0.00 C ATOM 799 CZ PHE A 50 -3.750 22.635 10.344 1.00 0.00 C ATOM 0 H PHE A 50 2.510 21.396 8.378 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.073 20.807 7.445 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.804 21.300 9.810 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.910 22.991 9.362 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.734 20.422 8.771 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.731 24.153 10.486 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.118 20.752 9.447 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.115 24.481 11.164 1.00 0.00 H new ATOM 0 HZ PHE A 50 -4.780 22.777 10.637 1.00 0.00 H new ATOM 809 N GLU A 51 0.897 23.911 6.904 1.00 0.00 N ATOM 810 CA GLU A 51 0.619 25.098 6.114 1.00 0.00 C ATOM 811 C GLU A 51 0.834 24.808 4.627 1.00 0.00 C ATOM 812 O GLU A 51 0.066 25.270 3.784 1.00 0.00 O ATOM 813 CB GLU A 51 1.481 26.276 6.572 1.00 0.00 C ATOM 814 CG GLU A 51 0.621 27.511 6.846 1.00 0.00 C ATOM 815 CD GLU A 51 1.204 28.749 6.160 1.00 0.00 C ATOM 816 OE1 GLU A 51 2.170 29.307 6.723 1.00 0.00 O ATOM 817 OE2 GLU A 51 0.671 29.107 5.088 1.00 0.00 O ATOM 0 H GLU A 51 1.717 23.982 7.507 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.425 25.374 6.264 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.028 26.002 7.474 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.223 26.507 5.808 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.394 27.338 6.490 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.557 27.683 7.920 1.00 0.00 H new ATOM 824 N GLU A 52 1.881 24.046 4.350 1.00 0.00 N ATOM 825 CA GLU A 52 2.207 23.689 2.980 1.00 0.00 C ATOM 826 C GLU A 52 1.084 22.848 2.370 1.00 0.00 C ATOM 827 O GLU A 52 0.536 23.200 1.326 1.00 0.00 O ATOM 828 CB GLU A 52 3.545 22.951 2.908 1.00 0.00 C ATOM 829 CG GLU A 52 4.142 23.033 1.501 1.00 0.00 C ATOM 830 CD GLU A 52 5.635 22.698 1.519 1.00 0.00 C ATOM 831 OE1 GLU A 52 6.254 22.922 2.581 1.00 0.00 O ATOM 832 OE2 GLU A 52 6.122 22.227 0.469 1.00 0.00 O ATOM 0 H GLU A 52 2.516 23.665 5.052 1.00 0.00 H new ATOM 0 HA GLU A 52 2.305 24.607 2.400 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.241 23.382 3.628 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.404 21.907 3.187 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.619 22.343 0.839 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.995 24.035 1.097 1.00 0.00 H new ATOM 839 N LEU A 53 0.775 21.751 3.046 1.00 0.00 N ATOM 840 CA LEU A 53 -0.273 20.857 2.584 1.00 0.00 C ATOM 841 C LEU A 53 -1.564 21.653 2.380 1.00 0.00 C ATOM 842 O LEU A 53 -2.170 21.596 1.311 1.00 0.00 O ATOM 843 CB LEU A 53 -0.426 19.671 3.539 1.00 0.00 C ATOM 844 CG LEU A 53 0.839 18.848 3.794 1.00 0.00 C ATOM 845 CD1 LEU A 53 0.860 18.305 5.224 1.00 0.00 C ATOM 846 CD2 LEU A 53 0.987 17.734 2.756 1.00 0.00 C ATOM 0 H LEU A 53 1.232 21.461 3.910 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.008 20.427 1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.791 20.045 4.495 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.194 19.007 3.142 1.00 0.00 H new ATOM 0 HG LEU A 53 1.702 19.505 3.686 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.769 17.724 5.379 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.836 19.136 5.929 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.010 17.668 5.384 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.894 17.165 2.960 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.123 17.071 2.808 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.050 18.171 1.760 1.00 0.00 H new ATOM 858 N ASP A 54 -1.946 22.376 3.422 1.00 0.00 N ATOM 859 CA ASP A 54 -3.154 23.182 3.371 1.00 0.00 C ATOM 860 C ASP A 54 -2.936 24.359 2.418 1.00 0.00 C ATOM 861 O ASP A 54 -2.220 25.304 2.746 1.00 0.00 O ATOM 862 CB ASP A 54 -3.497 23.748 4.750 1.00 0.00 C ATOM 863 CG ASP A 54 -4.723 24.663 4.787 1.00 0.00 C ATOM 864 OD1 ASP A 54 -5.690 24.346 4.061 1.00 0.00 O ATOM 865 OD2 ASP A 54 -4.665 25.659 5.541 1.00 0.00 O ATOM 0 H ASP A 54 -1.440 22.421 4.307 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.970 22.545 3.029 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.661 22.917 5.436 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.636 24.304 5.122 1.00 0.00 H new ATOM 870 N LYS A 55 -3.568 24.263 1.257 1.00 0.00 N ATOM 871 CA LYS A 55 -3.452 25.308 0.254 1.00 0.00 C ATOM 872 C LYS A 55 -4.825 25.942 0.024 1.00 0.00 C ATOM 873 O LYS A 55 -4.941 26.939 -0.687 1.00 0.00 O ATOM 874 CB LYS A 55 -2.807 24.759 -1.020 1.00 0.00 C ATOM 875 CG LYS A 55 -1.396 25.320 -1.206 1.00 0.00 C ATOM 876 CD LYS A 55 -1.012 25.357 -2.687 1.00 0.00 C ATOM 877 CE LYS A 55 -0.100 26.549 -2.986 1.00 0.00 C ATOM 878 NZ LYS A 55 0.183 26.633 -4.437 1.00 0.00 N ATOM 0 H LYS A 55 -4.162 23.478 0.989 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.789 26.100 0.603 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.766 23.671 -0.971 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.421 25.017 -1.883 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.342 26.325 -0.787 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.682 24.707 -0.656 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.507 24.430 -2.959 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.912 25.420 -3.299 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.573 27.471 -2.648 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.834 26.448 -2.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.803 27.447 -4.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.654 25.760 -4.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.709 26.751 -4.958 1.00 0.00 H new ATOM 892 N ASN A 56 -5.831 25.338 0.639 1.00 0.00 N ATOM 893 CA ASN A 56 -7.192 25.832 0.510 1.00 0.00 C ATOM 894 C ASN A 56 -7.438 26.917 1.561 1.00 0.00 C ATOM 895 O ASN A 56 -8.172 27.871 1.311 1.00 0.00 O ATOM 896 CB ASN A 56 -8.208 24.711 0.741 1.00 0.00 C ATOM 897 CG ASN A 56 -7.864 23.478 -0.096 1.00 0.00 C ATOM 898 OD1 ASN A 56 -7.156 22.582 0.333 1.00 0.00 O ATOM 899 ND2 ASN A 56 -8.403 23.482 -1.312 1.00 0.00 N ATOM 0 H ASN A 56 -5.731 24.511 1.228 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.314 26.228 -0.498 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -8.226 24.444 1.798 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -9.207 25.062 0.484 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.233 22.703 -1.948 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.987 24.264 -1.609 1.00 0.00 H new ATOM 906 N GLY A 57 -6.810 26.734 2.713 1.00 0.00 N ATOM 907 CA GLY A 57 -6.951 27.685 3.802 1.00 0.00 C ATOM 908 C GLY A 57 -8.304 27.524 4.498 1.00 0.00 C ATOM 909 O GLY A 57 -9.173 28.388 4.381 1.00 0.00 O ATOM 0 H GLY A 57 -6.202 25.941 2.916 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.147 27.539 4.524 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.854 28.700 3.418 1.00 0.00 H new ATOM 913 N ASP A 58 -8.441 26.413 5.207 1.00 0.00 N ATOM 914 CA ASP A 58 -9.673 26.129 5.922 1.00 0.00 C ATOM 915 C ASP A 58 -9.341 25.445 7.249 1.00 0.00 C ATOM 916 O ASP A 58 -9.531 26.027 8.316 1.00 0.00 O ATOM 917 CB ASP A 58 -10.572 25.188 5.117 1.00 0.00 C ATOM 918 CG ASP A 58 -10.347 25.215 3.604 1.00 0.00 C ATOM 919 OD1 ASP A 58 -10.511 26.311 3.025 1.00 0.00 O ATOM 920 OD2 ASP A 58 -10.015 24.140 3.060 1.00 0.00 O ATOM 0 H ASP A 58 -7.719 25.699 5.301 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.193 27.073 6.086 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.418 24.170 5.474 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.612 25.443 5.319 1.00 0.00 H new ATOM 925 N GLY A 59 -8.851 24.219 7.141 1.00 0.00 N ATOM 926 CA GLY A 59 -8.491 23.450 8.320 1.00 0.00 C ATOM 927 C GLY A 59 -8.737 21.956 8.096 1.00 0.00 C ATOM 928 O GLY A 59 -9.277 21.275 8.966 1.00 0.00 O ATOM 0 H GLY A 59 -8.695 23.739 6.255 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.441 23.617 8.561 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.073 23.794 9.175 1.00 0.00 H new ATOM 932 N GLU A 60 -8.327 21.491 6.925 1.00 0.00 N ATOM 933 CA GLU A 60 -8.496 20.090 6.576 1.00 0.00 C ATOM 934 C GLU A 60 -7.533 19.704 5.451 1.00 0.00 C ATOM 935 O GLU A 60 -7.610 20.246 4.349 1.00 0.00 O ATOM 936 CB GLU A 60 -9.944 19.794 6.183 1.00 0.00 C ATOM 937 CG GLU A 60 -10.364 20.621 4.967 1.00 0.00 C ATOM 938 CD GLU A 60 -11.804 21.117 5.111 1.00 0.00 C ATOM 939 OE1 GLU A 60 -12.703 20.248 5.136 1.00 0.00 O ATOM 940 OE2 GLU A 60 -11.974 22.352 5.192 1.00 0.00 O ATOM 0 H GLU A 60 -7.878 22.059 6.206 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.261 19.486 7.453 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.054 18.733 5.961 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.604 20.014 7.022 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.692 21.472 4.852 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.272 20.018 4.064 1.00 0.00 H new ATOM 947 N VAL A 61 -6.648 18.770 5.768 1.00 0.00 N ATOM 948 CA VAL A 61 -5.671 18.305 4.798 1.00 0.00 C ATOM 949 C VAL A 61 -6.235 17.093 4.053 1.00 0.00 C ATOM 950 O VAL A 61 -5.575 16.061 3.950 1.00 0.00 O ATOM 951 CB VAL A 61 -4.340 18.013 5.494 1.00 0.00 C ATOM 952 CG1 VAL A 61 -3.381 17.278 4.555 1.00 0.00 C ATOM 953 CG2 VAL A 61 -3.708 19.299 6.029 1.00 0.00 C ATOM 0 H VAL A 61 -6.587 18.323 6.683 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.471 19.078 4.056 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.541 17.361 6.344 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.443 17.082 5.074 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.828 16.333 4.245 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.188 17.894 3.677 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.763 19.064 6.519 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.527 19.986 5.203 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.383 19.765 6.747 1.00 0.00 H new ATOM 963 N SER A 62 -7.451 17.259 3.553 1.00 0.00 N ATOM 964 CA SER A 62 -8.111 16.192 2.821 1.00 0.00 C ATOM 965 C SER A 62 -7.123 15.526 1.861 1.00 0.00 C ATOM 966 O SER A 62 -6.054 16.071 1.590 1.00 0.00 O ATOM 967 CB SER A 62 -9.325 16.720 2.053 1.00 0.00 C ATOM 968 OG SER A 62 -9.532 18.112 2.273 1.00 0.00 O ATOM 0 H SER A 62 -7.996 18.117 3.641 1.00 0.00 H new ATOM 0 HA SER A 62 -8.464 15.452 3.539 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.187 16.538 0.987 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.215 16.169 2.358 1.00 0.00 H new ATOM 0 HG SER A 62 -9.520 18.584 1.414 1.00 0.00 H new ATOM 974 N PHE A 63 -7.516 14.359 1.374 1.00 0.00 N ATOM 975 CA PHE A 63 -6.678 13.613 0.450 1.00 0.00 C ATOM 976 C PHE A 63 -6.178 14.511 -0.683 1.00 0.00 C ATOM 977 O PHE A 63 -5.071 14.324 -1.185 1.00 0.00 O ATOM 978 CB PHE A 63 -7.546 12.501 -0.142 1.00 0.00 C ATOM 979 CG PHE A 63 -6.761 11.461 -0.945 1.00 0.00 C ATOM 980 CD1 PHE A 63 -5.668 10.864 -0.398 1.00 0.00 C ATOM 981 CD2 PHE A 63 -7.157 11.133 -2.204 1.00 0.00 C ATOM 982 CE1 PHE A 63 -4.940 9.898 -1.143 1.00 0.00 C ATOM 983 CE2 PHE A 63 -6.429 10.168 -2.948 1.00 0.00 C ATOM 984 CZ PHE A 63 -5.336 9.571 -2.402 1.00 0.00 C ATOM 0 H PHE A 63 -8.404 13.911 1.602 1.00 0.00 H new ATOM 0 HA PHE A 63 -5.808 13.216 0.973 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -8.075 11.997 0.667 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -8.302 12.948 -0.787 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.354 11.124 0.602 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -8.025 11.607 -2.638 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -4.072 9.423 -0.709 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.743 9.908 -3.948 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.782 8.837 -2.969 1.00 0.00 H new ATOM 994 N GLU A 64 -7.017 15.468 -1.052 1.00 0.00 N ATOM 995 CA GLU A 64 -6.673 16.395 -2.116 1.00 0.00 C ATOM 996 C GLU A 64 -5.283 16.986 -1.876 1.00 0.00 C ATOM 997 O GLU A 64 -4.404 16.882 -2.731 1.00 0.00 O ATOM 998 CB GLU A 64 -7.724 17.500 -2.241 1.00 0.00 C ATOM 999 CG GLU A 64 -8.288 17.878 -0.870 1.00 0.00 C ATOM 1000 CD GLU A 64 -8.295 19.396 -0.679 1.00 0.00 C ATOM 1001 OE1 GLU A 64 -7.449 20.053 -1.323 1.00 0.00 O ATOM 1002 OE2 GLU A 64 -9.146 19.866 0.107 1.00 0.00 O ATOM 0 H GLU A 64 -7.934 15.621 -0.633 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.656 15.847 -3.058 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.280 18.378 -2.710 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.532 17.166 -2.891 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.302 17.491 -0.771 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.691 17.412 -0.086 1.00 0.00 H new ATOM 1009 N GLU A 65 -5.126 17.594 -0.709 1.00 0.00 N ATOM 1010 CA GLU A 65 -3.857 18.201 -0.346 1.00 0.00 C ATOM 1011 C GLU A 65 -2.778 17.127 -0.196 1.00 0.00 C ATOM 1012 O GLU A 65 -1.600 17.386 -0.441 1.00 0.00 O ATOM 1013 CB GLU A 65 -3.990 19.027 0.935 1.00 0.00 C ATOM 1014 CG GLU A 65 -5.053 20.117 0.776 1.00 0.00 C ATOM 1015 CD GLU A 65 -6.038 20.097 1.947 1.00 0.00 C ATOM 1016 OE1 GLU A 65 -6.959 19.253 1.899 1.00 0.00 O ATOM 1017 OE2 GLU A 65 -5.847 20.926 2.863 1.00 0.00 O ATOM 0 H GLU A 65 -5.857 17.679 -0.003 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.559 18.878 -1.146 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.255 18.374 1.767 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.030 19.483 1.180 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.572 21.093 0.717 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.592 19.971 -0.160 1.00 0.00 H new ATOM 1024 N PHE A 66 -3.218 15.944 0.206 1.00 0.00 N ATOM 1025 CA PHE A 66 -2.304 14.829 0.392 1.00 0.00 C ATOM 1026 C PHE A 66 -1.562 14.506 -0.907 1.00 0.00 C ATOM 1027 O PHE A 66 -0.380 14.166 -0.882 1.00 0.00 O ATOM 1028 CB PHE A 66 -3.150 13.621 0.797 1.00 0.00 C ATOM 1029 CG PHE A 66 -2.379 12.555 1.579 1.00 0.00 C ATOM 1030 CD1 PHE A 66 -1.617 12.914 2.647 1.00 0.00 C ATOM 1031 CD2 PHE A 66 -2.455 11.250 1.206 1.00 0.00 C ATOM 1032 CE1 PHE A 66 -0.901 11.925 3.373 1.00 0.00 C ATOM 1033 CE2 PHE A 66 -1.739 10.261 1.932 1.00 0.00 C ATOM 1034 CZ PHE A 66 -0.977 10.620 3.000 1.00 0.00 C ATOM 0 H PHE A 66 -4.195 15.733 0.408 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.562 15.078 1.150 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.989 13.965 1.402 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.569 13.166 -0.101 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.556 13.951 2.943 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.060 10.965 0.358 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.296 12.210 4.221 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.800 9.224 1.636 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.432 9.868 3.552 1.00 0.00 H new ATOM 1044 N GLN A 67 -2.287 14.623 -2.010 1.00 0.00 N ATOM 1045 CA GLN A 67 -1.712 14.348 -3.315 1.00 0.00 C ATOM 1046 C GLN A 67 -0.534 15.285 -3.585 1.00 0.00 C ATOM 1047 O GLN A 67 0.261 15.044 -4.493 1.00 0.00 O ATOM 1048 CB GLN A 67 -2.769 14.465 -4.415 1.00 0.00 C ATOM 1049 CG GLN A 67 -4.088 13.822 -3.980 1.00 0.00 C ATOM 1050 CD GLN A 67 -4.936 13.436 -5.193 1.00 0.00 C ATOM 1051 OE1 GLN A 67 -6.009 13.969 -5.428 1.00 0.00 O ATOM 1052 NE2 GLN A 67 -4.399 12.482 -5.948 1.00 0.00 N ATOM 0 H GLN A 67 -3.267 14.904 -2.026 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.343 13.322 -3.319 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.934 15.515 -4.655 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -2.408 13.983 -5.324 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.884 12.937 -3.378 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.644 14.515 -3.349 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.497 12.078 -5.695 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.889 12.154 -6.780 1.00 0.00 H new ATOM 1061 N VAL A 68 -0.458 16.335 -2.781 1.00 0.00 N ATOM 1062 CA VAL A 68 0.610 17.310 -2.922 1.00 0.00 C ATOM 1063 C VAL A 68 1.891 16.750 -2.301 1.00 0.00 C ATOM 1064 O VAL A 68 2.981 16.944 -2.837 1.00 0.00 O ATOM 1065 CB VAL A 68 0.184 18.646 -2.309 1.00 0.00 C ATOM 1066 CG1 VAL A 68 1.229 19.731 -2.578 1.00 0.00 C ATOM 1067 CG2 VAL A 68 -1.193 19.071 -2.825 1.00 0.00 C ATOM 0 H VAL A 68 -1.119 16.532 -2.029 1.00 0.00 H new ATOM 0 HA VAL A 68 0.815 17.501 -3.975 1.00 0.00 H new ATOM 0 HB VAL A 68 0.111 18.512 -1.230 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.902 20.670 -2.132 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.182 19.434 -2.141 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.348 19.863 -3.653 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.472 20.023 -2.374 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.158 19.179 -3.909 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.931 18.314 -2.560 1.00 0.00 H new ATOM 1077 N LEU A 69 1.718 16.066 -1.180 1.00 0.00 N ATOM 1078 CA LEU A 69 2.846 15.476 -0.480 1.00 0.00 C ATOM 1079 C LEU A 69 3.324 14.239 -1.244 1.00 0.00 C ATOM 1080 O LEU A 69 4.506 13.901 -1.208 1.00 0.00 O ATOM 1081 CB LEU A 69 2.485 15.196 0.980 1.00 0.00 C ATOM 1082 CG LEU A 69 3.661 15.090 1.953 1.00 0.00 C ATOM 1083 CD1 LEU A 69 4.503 16.367 1.937 1.00 0.00 C ATOM 1084 CD2 LEU A 69 3.176 14.740 3.362 1.00 0.00 C ATOM 0 H LEU A 69 0.812 15.907 -0.739 1.00 0.00 H new ATOM 0 HA LEU A 69 3.682 16.175 -0.448 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.822 15.988 1.328 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.920 14.265 1.022 1.00 0.00 H new ATOM 0 HG LEU A 69 4.306 14.276 1.623 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.332 16.265 2.637 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.894 16.532 0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.884 17.215 2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.031 14.671 4.034 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.498 15.516 3.717 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.653 13.784 3.340 1.00 0.00 H new ATOM 1096 N VAL A 70 2.380 13.597 -1.916 1.00 0.00 N ATOM 1097 CA VAL A 70 2.689 12.404 -2.686 1.00 0.00 C ATOM 1098 C VAL A 70 3.860 12.699 -3.625 1.00 0.00 C ATOM 1099 O VAL A 70 4.554 11.783 -4.064 1.00 0.00 O ATOM 1100 CB VAL A 70 1.439 11.919 -3.423 1.00 0.00 C ATOM 1101 CG1 VAL A 70 1.815 11.138 -4.684 1.00 0.00 C ATOM 1102 CG2 VAL A 70 0.551 11.079 -2.502 1.00 0.00 C ATOM 0 H VAL A 70 1.401 13.880 -1.943 1.00 0.00 H new ATOM 0 HA VAL A 70 2.997 11.592 -2.027 1.00 0.00 H new ATOM 0 HB VAL A 70 0.869 12.796 -3.729 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.909 10.805 -5.189 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.388 11.781 -5.353 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.417 10.272 -4.410 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.331 10.747 -3.050 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.109 10.211 -2.151 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.241 11.680 -1.647 1.00 0.00 H new ATOM 1112 N LYS A 71 4.044 13.981 -3.906 1.00 0.00 N ATOM 1113 CA LYS A 71 5.119 14.408 -4.785 1.00 0.00 C ATOM 1114 C LYS A 71 6.462 14.195 -4.083 1.00 0.00 C ATOM 1115 O LYS A 71 7.385 13.623 -4.660 1.00 0.00 O ATOM 1116 CB LYS A 71 4.891 15.847 -5.252 1.00 0.00 C ATOM 1117 CG LYS A 71 5.129 15.980 -6.757 1.00 0.00 C ATOM 1118 CD LYS A 71 5.686 17.362 -7.104 1.00 0.00 C ATOM 1119 CE LYS A 71 4.555 18.368 -7.328 1.00 0.00 C ATOM 1120 NZ LYS A 71 4.278 18.523 -8.774 1.00 0.00 N ATOM 0 H LYS A 71 3.466 14.738 -3.540 1.00 0.00 H new ATOM 0 HA LYS A 71 5.133 13.802 -5.691 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.873 16.153 -5.013 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.560 16.518 -4.714 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.825 15.210 -7.088 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.194 15.816 -7.293 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.333 17.710 -6.299 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.301 17.295 -8.001 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.655 18.033 -6.813 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.827 19.332 -6.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.508 19.209 -8.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.134 18.864 -9.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.997 17.605 -9.174 1.00 0.00 H new ATOM 1134 N LYS A 72 6.528 14.667 -2.847 1.00 0.00 N ATOM 1135 CA LYS A 72 7.742 14.535 -2.059 1.00 0.00 C ATOM 1136 C LYS A 72 7.951 13.064 -1.695 1.00 0.00 C ATOM 1137 O LYS A 72 9.086 12.609 -1.564 1.00 0.00 O ATOM 1138 CB LYS A 72 7.698 15.469 -0.848 1.00 0.00 C ATOM 1139 CG LYS A 72 7.620 16.933 -1.286 1.00 0.00 C ATOM 1140 CD LYS A 72 6.172 17.349 -1.552 1.00 0.00 C ATOM 1141 CE LYS A 72 5.993 18.857 -1.366 1.00 0.00 C ATOM 1142 NZ LYS A 72 6.068 19.215 0.068 1.00 0.00 N ATOM 0 H LYS A 72 5.760 15.142 -2.372 1.00 0.00 H new ATOM 0 HA LYS A 72 8.610 14.846 -2.640 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.836 15.225 -0.228 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.586 15.316 -0.234 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.049 17.571 -0.513 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.216 17.079 -2.187 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.889 17.068 -2.566 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.506 16.814 -0.876 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.764 19.392 -1.921 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.032 19.168 -1.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.811 20.215 0.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.409 18.620 0.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.037 19.062 0.414 1.00 0.00 H new ATOM 1156 N ILE A 73 6.838 12.361 -1.540 1.00 0.00 N ATOM 1157 CA ILE A 73 6.886 10.951 -1.193 1.00 0.00 C ATOM 1158 C ILE A 73 7.300 10.141 -2.424 1.00 0.00 C ATOM 1159 O ILE A 73 7.599 8.953 -2.317 1.00 0.00 O ATOM 1160 CB ILE A 73 5.556 10.505 -0.583 1.00 0.00 C ATOM 1161 CG1 ILE A 73 5.361 11.109 0.809 1.00 0.00 C ATOM 1162 CG2 ILE A 73 5.445 8.979 -0.567 1.00 0.00 C ATOM 1163 CD1 ILE A 73 3.880 11.372 1.090 1.00 0.00 C ATOM 0 H ILE A 73 5.898 12.742 -1.648 1.00 0.00 H new ATOM 0 HA ILE A 73 7.639 10.773 -0.425 1.00 0.00 H new ATOM 0 HB ILE A 73 4.749 10.880 -1.212 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.763 10.432 1.563 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.921 12.041 0.887 1.00 0.00 H new ATOM 0 HG21 ILE A 73 4.490 8.688 -0.128 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.507 8.599 -1.587 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.259 8.561 0.026 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.769 11.801 2.086 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.487 12.068 0.349 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.327 10.434 1.036 1.00 0.00 H new ATOM 1175 N SER A 74 7.306 10.817 -3.563 1.00 0.00 N ATOM 1176 CA SER A 74 7.679 10.176 -4.812 1.00 0.00 C ATOM 1177 C SER A 74 9.186 10.312 -5.041 1.00 0.00 C ATOM 1178 O SER A 74 9.851 9.346 -5.412 1.00 0.00 O ATOM 1179 CB SER A 74 6.908 10.773 -5.990 1.00 0.00 C ATOM 1180 OG SER A 74 6.847 9.878 -7.097 1.00 0.00 O ATOM 0 H SER A 74 7.058 11.803 -3.647 1.00 0.00 H new ATOM 0 HA SER A 74 7.422 9.119 -4.743 1.00 0.00 H new ATOM 0 HB2 SER A 74 5.896 11.024 -5.671 1.00 0.00 H new ATOM 0 HB3 SER A 74 7.384 11.703 -6.301 1.00 0.00 H new ATOM 0 HG SER A 74 6.345 10.295 -7.828 1.00 0.00 H new ATOM 1186 N GLN A 75 9.681 11.519 -4.809 1.00 0.00 N ATOM 1187 CA GLN A 75 11.096 11.794 -4.985 1.00 0.00 C ATOM 1188 C GLN A 75 11.913 11.089 -3.900 1.00 0.00 C ATOM 1189 O GLN A 75 12.513 10.045 -4.151 1.00 0.00 O ATOM 1190 CB GLN A 75 11.367 13.300 -4.982 1.00 0.00 C ATOM 1191 CG GLN A 75 12.213 13.707 -6.190 1.00 0.00 C ATOM 1192 CD GLN A 75 11.331 13.980 -7.411 1.00 0.00 C ATOM 1193 OE1 GLN A 75 11.499 13.402 -8.472 1.00 0.00 O ATOM 1194 NE2 GLN A 75 10.385 14.892 -7.202 1.00 0.00 N ATOM 0 H GLN A 75 9.127 12.318 -4.500 1.00 0.00 H new ATOM 0 HA GLN A 75 11.403 11.404 -5.956 1.00 0.00 H new ATOM 0 HB2 GLN A 75 10.422 13.843 -4.996 1.00 0.00 H new ATOM 0 HB3 GLN A 75 11.882 13.579 -4.062 1.00 0.00 H new ATOM 0 HG2 GLN A 75 12.792 14.598 -5.949 1.00 0.00 H new ATOM 0 HG3 GLN A 75 12.926 12.916 -6.422 1.00 0.00 H new ATOM 0 HE21 GLN A 75 10.299 15.338 -6.289 1.00 0.00 H new ATOM 0 HE22 GLN A 75 9.745 15.145 -7.955 1.00 0.00 H new TER 1203 GLN A 75 HETATM 1204 LA LA A 105 -7.752 22.262 3.048 1.00 0.00 LA