USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 573 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 Single : A 1 MET CE :methyl 158:sc= -0.063 (180deg=-0.504) USER MOD Single : A 1 MET N :NH3+ 165:sc= -0.271 (180deg=-0.815) USER MOD Single : A 2 GLN : amide:sc= -0.592 X(o=-0.59,f=-0.87) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -45:sc= -1.96 USER MOD Single : A 9 THR OG1 : rot -49:sc= 0.416 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -125:sc= 0.13 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00983 USER MOD Single : A 25 ASN : amide:sc= -0.466 X(o=-0.47,f=-0.29) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= -0.0994 (180deg=-0.0994) USER MOD Single : A 29 LYS NZ :NH3+ -150:sc= 1.29 (180deg=0.549) USER MOD Single : A 31 GLN : amide:sc= -0.762 X(o=-0.76,f=-0.62) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.461 K(o=-0.46,f=-1.5) USER MOD Single : A 41 GLN : amide:sc= -0.623 K(o=-0.62,f=-3.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.06 K(o=-1.1,f=-3.6!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.834 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 80:sc= -0.801 USER MOD Single : A 60 ASN : amide:sc= -0.337 K(o=-0.34,f=-1.2) USER MOD Single : A 62 GLN : amide:sc= -0.128 K(o=-0.13,f=-3.3!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 32:sc= 0.418 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0137 X(o=-0.014,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.753 -5.535 4.909 1.00 0.00 N ATOM 2 CA MET A 1 -12.672 -4.952 6.237 1.00 0.00 C ATOM 3 C MET A 1 -11.885 -3.640 6.213 1.00 0.00 C ATOM 4 O MET A 1 -11.515 -3.154 5.146 1.00 0.00 O ATOM 5 CB MET A 1 -11.989 -5.939 7.187 1.00 0.00 C ATOM 6 CG MET A 1 -10.549 -6.215 6.748 1.00 0.00 C ATOM 7 SD MET A 1 -9.818 -7.455 7.803 1.00 0.00 S ATOM 8 CE MET A 1 -10.651 -8.912 7.195 1.00 0.00 C ATOM 0 H1 MET A 1 -13.059 -6.526 4.983 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.439 -5.002 4.337 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.818 -5.494 4.454 1.00 0.00 H new ATOM 0 HA MET A 1 -13.684 -4.741 6.583 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.993 -5.537 8.200 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.551 -6.873 7.212 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.534 -6.552 5.712 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.964 -5.296 6.793 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.065 -9.797 7.443 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.635 -8.988 7.657 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.763 -8.842 6.113 1.00 0.00 H new ATOM 18 N GLN A 2 -11.654 -3.104 7.403 1.00 0.00 N ATOM 19 CA GLN A 2 -10.918 -1.857 7.532 1.00 0.00 C ATOM 20 C GLN A 2 -9.416 -2.134 7.620 1.00 0.00 C ATOM 21 O GLN A 2 -9.002 -3.178 8.123 1.00 0.00 O ATOM 22 CB GLN A 2 -11.401 -1.059 8.744 1.00 0.00 C ATOM 23 CG GLN A 2 -10.574 0.215 8.926 1.00 0.00 C ATOM 24 CD GLN A 2 -11.200 1.130 9.981 1.00 0.00 C ATOM 25 OE1 GLN A 2 -10.998 0.972 11.174 1.00 0.00 O ATOM 26 NE2 GLN A 2 -11.969 2.090 9.477 1.00 0.00 N ATOM 0 H GLN A 2 -11.963 -3.510 8.286 1.00 0.00 H new ATOM 0 HA GLN A 2 -11.104 -1.254 6.644 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.452 -0.800 8.618 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.330 -1.674 9.641 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.558 -0.046 9.223 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.502 0.745 7.976 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -12.095 2.165 8.468 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -12.433 2.751 10.100 1.00 0.00 H new ATOM 35 N ILE A 3 -8.641 -1.182 7.123 1.00 0.00 N ATOM 36 CA ILE A 3 -7.194 -1.309 7.140 1.00 0.00 C ATOM 37 C ILE A 3 -6.570 0.046 7.479 1.00 0.00 C ATOM 38 O ILE A 3 -7.198 1.087 7.292 1.00 0.00 O ATOM 39 CB ILE A 3 -6.694 -1.904 5.822 1.00 0.00 C ATOM 40 CG1 ILE A 3 -7.176 -1.075 4.629 1.00 0.00 C ATOM 41 CG2 ILE A 3 -7.094 -3.375 5.697 1.00 0.00 C ATOM 42 CD1 ILE A 3 -6.362 0.213 4.492 1.00 0.00 C ATOM 0 H ILE A 3 -8.988 -0.318 6.706 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.882 -2.006 7.918 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.605 -1.866 5.822 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.090 -1.663 3.715 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.231 -0.831 4.753 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.726 -3.773 4.751 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -6.661 -3.941 6.522 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.180 -3.461 5.729 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -6.725 0.783 3.637 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.469 0.809 5.398 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -5.311 -0.035 4.343 1.00 0.00 H new ATOM 54 N PHE A 4 -5.342 -0.011 7.973 1.00 0.00 N ATOM 55 CA PHE A 4 -4.626 1.199 8.340 1.00 0.00 C ATOM 56 C PHE A 4 -3.346 1.350 7.516 1.00 0.00 C ATOM 57 O PHE A 4 -2.344 0.691 7.790 1.00 0.00 O ATOM 58 CB PHE A 4 -4.254 1.067 9.818 1.00 0.00 C ATOM 59 CG PHE A 4 -5.387 1.432 10.780 1.00 0.00 C ATOM 60 CD1 PHE A 4 -6.593 0.810 10.678 1.00 0.00 C ATOM 61 CD2 PHE A 4 -5.189 2.378 11.736 1.00 0.00 C ATOM 62 CE1 PHE A 4 -7.644 1.149 11.570 1.00 0.00 C ATOM 63 CE2 PHE A 4 -6.240 2.718 12.628 1.00 0.00 C ATOM 64 CZ PHE A 4 -7.445 2.095 12.526 1.00 0.00 C ATOM 0 H PHE A 4 -4.825 -0.876 8.128 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.251 2.072 8.154 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.942 0.041 10.013 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.396 1.706 10.025 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.751 0.059 9.918 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.232 2.871 11.817 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.601 0.656 11.489 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.083 3.470 13.387 1.00 0.00 H new ATOM 0 HZ PHE A 4 -8.244 2.352 13.205 1.00 0.00 H new ATOM 74 N VAL A 5 -3.420 2.223 6.522 1.00 0.00 N ATOM 75 CA VAL A 5 -2.280 2.470 5.655 1.00 0.00 C ATOM 76 C VAL A 5 -1.416 3.579 6.261 1.00 0.00 C ATOM 77 O VAL A 5 -1.932 4.493 6.901 1.00 0.00 O ATOM 78 CB VAL A 5 -2.759 2.792 4.239 1.00 0.00 C ATOM 79 CG1 VAL A 5 -3.236 4.242 4.137 1.00 0.00 C ATOM 80 CG2 VAL A 5 -1.663 2.502 3.211 1.00 0.00 C ATOM 0 H VAL A 5 -4.252 2.768 6.298 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.658 1.578 5.578 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.607 2.145 4.017 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.571 4.444 3.120 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.062 4.403 4.830 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.415 4.914 4.389 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.029 2.739 2.212 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.787 3.112 3.431 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.391 1.447 3.257 1.00 0.00 H new ATOM 90 N LYS A 6 -0.115 3.459 6.036 1.00 0.00 N ATOM 91 CA LYS A 6 0.825 4.441 6.552 1.00 0.00 C ATOM 92 C LYS A 6 1.346 5.297 5.396 1.00 0.00 C ATOM 93 O LYS A 6 1.432 4.830 4.262 1.00 0.00 O ATOM 94 CB LYS A 6 1.932 3.751 7.354 1.00 0.00 C ATOM 95 CG LYS A 6 2.106 4.409 8.724 1.00 0.00 C ATOM 96 CD LYS A 6 3.194 3.704 9.536 1.00 0.00 C ATOM 97 CE LYS A 6 3.181 4.173 10.992 1.00 0.00 C ATOM 98 NZ LYS A 6 4.525 4.024 11.596 1.00 0.00 N ATOM 0 H LYS A 6 0.309 2.699 5.505 1.00 0.00 H new ATOM 0 HA LYS A 6 0.329 5.115 7.250 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.690 2.696 7.481 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.870 3.799 6.802 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.366 5.460 8.596 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.163 4.378 9.269 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.041 2.625 9.496 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.170 3.904 9.094 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.867 5.216 11.042 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.454 3.593 11.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.499 4.347 12.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.810 3.024 11.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.211 4.596 11.063 1.00 0.00 H new ATOM 112 N THR A 7 1.679 6.537 5.724 1.00 0.00 N ATOM 113 CA THR A 7 2.189 7.464 4.728 1.00 0.00 C ATOM 114 C THR A 7 3.703 7.627 4.876 1.00 0.00 C ATOM 115 O THR A 7 4.263 7.328 5.930 1.00 0.00 O ATOM 116 CB THR A 7 1.420 8.779 4.869 1.00 0.00 C ATOM 117 OG1 THR A 7 0.104 8.374 5.237 1.00 0.00 O ATOM 118 CG2 THR A 7 1.228 9.492 3.528 1.00 0.00 C ATOM 0 H THR A 7 1.605 6.921 6.666 1.00 0.00 H new ATOM 0 HA THR A 7 2.032 7.085 3.718 1.00 0.00 H new ATOM 0 HB THR A 7 1.950 9.437 5.558 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.179 7.627 4.670 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.677 10.419 3.685 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.202 9.718 3.093 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.669 8.847 2.850 1.00 0.00 H new ATOM 126 N LEU A 8 4.322 8.100 3.805 1.00 0.00 N ATOM 127 CA LEU A 8 5.760 8.306 3.802 1.00 0.00 C ATOM 128 C LEU A 8 6.142 9.226 4.964 1.00 0.00 C ATOM 129 O LEU A 8 7.293 9.244 5.394 1.00 0.00 O ATOM 130 CB LEU A 8 6.227 8.815 2.437 1.00 0.00 C ATOM 131 CG LEU A 8 5.673 10.174 2.003 1.00 0.00 C ATOM 132 CD1 LEU A 8 6.466 11.318 2.640 1.00 0.00 C ATOM 133 CD2 LEU A 8 5.629 10.287 0.478 1.00 0.00 C ATOM 0 H LEU A 8 3.854 8.347 2.933 1.00 0.00 H new ATOM 0 HA LEU A 8 6.279 7.361 3.958 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.315 8.875 2.446 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.955 8.076 1.683 1.00 0.00 H new ATOM 0 HG LEU A 8 4.647 10.255 2.361 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.052 12.273 2.315 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.402 11.245 3.726 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.510 11.252 2.333 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.231 11.262 0.197 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.636 10.176 0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.988 9.504 0.073 1.00 0.00 H new ATOM 145 N THR A 9 5.152 9.967 5.439 1.00 0.00 N ATOM 146 CA THR A 9 5.369 10.888 6.543 1.00 0.00 C ATOM 147 C THR A 9 4.892 10.265 7.857 1.00 0.00 C ATOM 148 O THR A 9 4.555 10.980 8.800 1.00 0.00 O ATOM 149 CB THR A 9 4.668 12.205 6.205 1.00 0.00 C ATOM 150 OG1 THR A 9 5.217 13.137 7.132 1.00 0.00 O ATOM 151 CG2 THR A 9 3.176 12.179 6.542 1.00 0.00 C ATOM 0 H THR A 9 4.197 9.949 5.080 1.00 0.00 H new ATOM 0 HA THR A 9 6.430 11.095 6.683 1.00 0.00 H new ATOM 0 HB THR A 9 4.796 12.422 5.145 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.180 12.760 8.036 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.728 13.138 6.282 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.689 11.385 5.976 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.047 11.995 7.609 1.00 0.00 H new ATOM 159 N GLY A 10 4.878 8.941 7.877 1.00 0.00 N ATOM 160 CA GLY A 10 4.448 8.215 9.060 1.00 0.00 C ATOM 161 C GLY A 10 3.027 8.613 9.461 1.00 0.00 C ATOM 162 O GLY A 10 2.666 8.542 10.635 1.00 0.00 O ATOM 0 H GLY A 10 5.158 8.352 7.093 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.489 7.143 8.868 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.132 8.417 9.884 1.00 0.00 H new ATOM 166 N LYS A 11 2.258 9.023 8.463 1.00 0.00 N ATOM 167 CA LYS A 11 0.883 9.433 8.698 1.00 0.00 C ATOM 168 C LYS A 11 -0.014 8.195 8.730 1.00 0.00 C ATOM 169 O LYS A 11 0.265 7.203 8.059 1.00 0.00 O ATOM 170 CB LYS A 11 0.452 10.477 7.665 1.00 0.00 C ATOM 171 CG LYS A 11 -0.868 11.136 8.070 1.00 0.00 C ATOM 172 CD LYS A 11 -0.619 12.403 8.892 1.00 0.00 C ATOM 173 CE LYS A 11 -0.402 12.066 10.368 1.00 0.00 C ATOM 174 NZ LYS A 11 -1.061 13.071 11.232 1.00 0.00 N ATOM 0 H LYS A 11 2.560 9.080 7.490 1.00 0.00 H new ATOM 0 HA LYS A 11 0.791 9.920 9.669 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.227 11.237 7.566 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.342 10.004 6.689 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.443 11.384 7.178 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.466 10.434 8.650 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.254 12.927 8.503 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.468 13.079 8.791 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.801 11.075 10.583 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.665 12.034 10.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.904 12.827 12.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.661 14.011 11.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.082 13.082 11.035 1.00 0.00 H new ATOM 188 N THR A 12 -1.074 8.293 9.519 1.00 0.00 N ATOM 189 CA THR A 12 -2.015 7.192 9.649 1.00 0.00 C ATOM 190 C THR A 12 -3.284 7.479 8.844 1.00 0.00 C ATOM 191 O THR A 12 -4.008 8.429 9.136 1.00 0.00 O ATOM 192 CB THR A 12 -2.279 6.969 11.139 1.00 0.00 C ATOM 193 OG1 THR A 12 -1.017 6.556 11.656 1.00 0.00 O ATOM 194 CG2 THR A 12 -3.196 5.772 11.399 1.00 0.00 C ATOM 0 H THR A 12 -1.302 9.117 10.075 1.00 0.00 H new ATOM 0 HA THR A 12 -1.606 6.270 9.235 1.00 0.00 H new ATOM 0 HB THR A 12 -2.724 7.867 11.567 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.096 6.391 12.619 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.351 5.658 12.472 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.156 5.936 10.909 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.735 4.868 11.001 1.00 0.00 H new ATOM 202 N ILE A 13 -3.516 6.638 7.846 1.00 0.00 N ATOM 203 CA ILE A 13 -4.685 6.789 6.997 1.00 0.00 C ATOM 204 C ILE A 13 -5.479 5.481 6.992 1.00 0.00 C ATOM 205 O ILE A 13 -5.008 4.466 6.481 1.00 0.00 O ATOM 206 CB ILE A 13 -4.277 7.264 5.602 1.00 0.00 C ATOM 207 CG1 ILE A 13 -3.908 8.749 5.615 1.00 0.00 C ATOM 208 CG2 ILE A 13 -5.368 6.954 4.575 1.00 0.00 C ATOM 209 CD1 ILE A 13 -2.944 9.085 4.474 1.00 0.00 C ATOM 0 H ILE A 13 -2.914 5.850 7.607 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.344 7.562 7.392 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.386 6.713 5.301 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.811 9.353 5.523 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.450 9.005 6.570 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.052 7.302 3.592 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.540 5.878 4.541 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.290 7.460 4.860 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.698 10.146 4.506 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.032 8.498 4.583 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.415 8.850 3.519 1.00 0.00 H new ATOM 221 N THR A 14 -6.671 5.546 7.569 1.00 0.00 N ATOM 222 CA THR A 14 -7.533 4.379 7.639 1.00 0.00 C ATOM 223 C THR A 14 -8.537 4.389 6.483 1.00 0.00 C ATOM 224 O THR A 14 -9.061 5.441 6.120 1.00 0.00 O ATOM 225 CB THR A 14 -8.196 4.363 9.018 1.00 0.00 C ATOM 226 OG1 THR A 14 -7.152 4.745 9.909 1.00 0.00 O ATOM 227 CG2 THR A 14 -8.573 2.951 9.469 1.00 0.00 C ATOM 0 H THR A 14 -7.059 6.389 7.992 1.00 0.00 H new ATOM 0 HA THR A 14 -6.962 3.458 7.526 1.00 0.00 H new ATOM 0 HB THR A 14 -9.088 4.989 8.999 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.055 4.066 10.609 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.040 2.996 10.453 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.272 2.516 8.755 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.676 2.334 9.521 1.00 0.00 H new ATOM 235 N LEU A 15 -8.772 3.205 5.937 1.00 0.00 N ATOM 236 CA LEU A 15 -9.702 3.063 4.830 1.00 0.00 C ATOM 237 C LEU A 15 -10.553 1.809 5.041 1.00 0.00 C ATOM 238 O LEU A 15 -10.029 0.749 5.378 1.00 0.00 O ATOM 239 CB LEU A 15 -8.953 3.080 3.495 1.00 0.00 C ATOM 240 CG LEU A 15 -9.625 3.854 2.359 1.00 0.00 C ATOM 241 CD1 LEU A 15 -11.055 3.361 2.130 1.00 0.00 C ATOM 242 CD2 LEU A 15 -9.572 5.362 2.617 1.00 0.00 C ATOM 0 H LEU A 15 -8.334 2.335 6.241 1.00 0.00 H new ATOM 0 HA LEU A 15 -10.386 3.911 4.797 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.963 3.505 3.662 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.807 2.050 3.170 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.069 3.665 1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.510 3.928 1.317 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.038 2.303 1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.638 3.501 3.040 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.056 5.889 1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.089 5.590 3.549 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.533 5.682 2.691 1.00 0.00 H new ATOM 254 N GLU A 16 -11.851 1.973 4.835 1.00 0.00 N ATOM 255 CA GLU A 16 -12.780 0.868 4.999 1.00 0.00 C ATOM 256 C GLU A 16 -13.104 0.241 3.641 1.00 0.00 C ATOM 257 O GLU A 16 -13.700 0.887 2.782 1.00 0.00 O ATOM 258 CB GLU A 16 -14.056 1.324 5.710 1.00 0.00 C ATOM 259 CG GLU A 16 -14.702 2.500 4.976 1.00 0.00 C ATOM 260 CD GLU A 16 -14.735 3.749 5.861 1.00 0.00 C ATOM 261 OE1 GLU A 16 -15.725 3.887 6.610 1.00 0.00 O ATOM 262 OE2 GLU A 16 -13.767 4.535 5.769 1.00 0.00 O ATOM 0 H GLU A 16 -12.282 2.855 4.556 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.306 0.111 5.624 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -14.761 0.495 5.767 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -13.822 1.614 6.734 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -14.147 2.712 4.062 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -15.716 2.234 4.678 1.00 0.00 H new ATOM 269 N VAL A 17 -12.697 -1.011 3.491 1.00 0.00 N ATOM 270 CA VAL A 17 -12.936 -1.732 2.253 1.00 0.00 C ATOM 271 C VAL A 17 -13.429 -3.144 2.577 1.00 0.00 C ATOM 272 O VAL A 17 -13.596 -3.494 3.744 1.00 0.00 O ATOM 273 CB VAL A 17 -11.672 -1.725 1.390 1.00 0.00 C ATOM 274 CG1 VAL A 17 -11.251 -0.294 1.047 1.00 0.00 C ATOM 275 CG2 VAL A 17 -10.534 -2.480 2.078 1.00 0.00 C ATOM 0 H VAL A 17 -12.203 -1.544 4.207 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.715 -1.240 1.670 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.900 -2.241 0.457 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.350 -0.317 0.433 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -12.053 0.199 0.497 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -11.050 0.256 1.966 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.648 -2.460 1.443 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.307 -2.005 3.033 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.834 -3.514 2.249 1.00 0.00 H new ATOM 285 N GLU A 18 -13.650 -3.916 1.523 1.00 0.00 N ATOM 286 CA GLU A 18 -14.121 -5.281 1.682 1.00 0.00 C ATOM 287 C GLU A 18 -12.996 -6.270 1.371 1.00 0.00 C ATOM 288 O GLU A 18 -12.081 -5.957 0.611 1.00 0.00 O ATOM 289 CB GLU A 18 -15.343 -5.545 0.799 1.00 0.00 C ATOM 290 CG GLU A 18 -16.641 -5.320 1.577 1.00 0.00 C ATOM 291 CD GLU A 18 -17.345 -6.648 1.864 1.00 0.00 C ATOM 292 OE1 GLU A 18 -18.122 -7.080 0.986 1.00 0.00 O ATOM 293 OE2 GLU A 18 -17.090 -7.201 2.955 1.00 0.00 O ATOM 0 H GLU A 18 -13.512 -3.622 0.556 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.425 -5.422 2.719 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -15.317 -4.887 -0.070 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.312 -6.568 0.425 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -16.423 -4.810 2.515 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -17.303 -4.669 1.006 1.00 0.00 H new ATOM 300 N PRO A 19 -13.104 -7.477 1.990 1.00 0.00 N ATOM 301 CA PRO A 19 -12.107 -8.514 1.786 1.00 0.00 C ATOM 302 C PRO A 19 -12.266 -9.166 0.411 1.00 0.00 C ATOM 303 O PRO A 19 -11.380 -9.886 -0.045 1.00 0.00 O ATOM 304 CB PRO A 19 -12.314 -9.489 2.934 1.00 0.00 C ATOM 305 CG PRO A 19 -13.710 -9.212 3.469 1.00 0.00 C ATOM 306 CD PRO A 19 -14.174 -7.883 2.895 1.00 0.00 C ATOM 0 HA PRO A 19 -11.089 -8.125 1.789 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.224 -10.520 2.592 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.562 -9.344 3.710 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.394 -10.011 3.183 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.701 -9.175 4.558 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.121 -7.989 2.366 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.329 -7.144 3.681 1.00 0.00 H new ATOM 314 N SER A 20 -13.404 -8.891 -0.211 1.00 0.00 N ATOM 315 CA SER A 20 -13.691 -9.442 -1.524 1.00 0.00 C ATOM 316 C SER A 20 -13.161 -8.505 -2.611 1.00 0.00 C ATOM 317 O SER A 20 -12.872 -8.941 -3.725 1.00 0.00 O ATOM 318 CB SER A 20 -15.192 -9.674 -1.708 1.00 0.00 C ATOM 319 OG SER A 20 -15.629 -10.871 -1.070 1.00 0.00 O ATOM 0 H SER A 20 -14.138 -8.294 0.171 1.00 0.00 H new ATOM 0 HA SER A 20 -13.189 -10.406 -1.608 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.743 -8.825 -1.302 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.423 -9.725 -2.772 1.00 0.00 H new ATOM 0 HG SER A 20 -16.593 -10.983 -1.209 1.00 0.00 H new ATOM 325 N ASP A 21 -13.052 -7.234 -2.251 1.00 0.00 N ATOM 326 CA ASP A 21 -12.563 -6.233 -3.183 1.00 0.00 C ATOM 327 C ASP A 21 -11.095 -6.519 -3.509 1.00 0.00 C ATOM 328 O ASP A 21 -10.360 -7.040 -2.672 1.00 0.00 O ATOM 329 CB ASP A 21 -12.647 -4.830 -2.578 1.00 0.00 C ATOM 330 CG ASP A 21 -14.025 -4.440 -2.041 1.00 0.00 C ATOM 331 OD1 ASP A 21 -14.997 -5.132 -2.415 1.00 0.00 O ATOM 332 OD2 ASP A 21 -14.077 -3.458 -1.268 1.00 0.00 O ATOM 0 H ASP A 21 -13.294 -6.875 -1.327 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.181 -6.277 -4.080 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.923 -4.757 -1.766 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.350 -4.105 -3.336 1.00 0.00 H new ATOM 337 N THR A 22 -10.713 -6.165 -4.727 1.00 0.00 N ATOM 338 CA THR A 22 -9.347 -6.378 -5.174 1.00 0.00 C ATOM 339 C THR A 22 -8.459 -5.207 -4.748 1.00 0.00 C ATOM 340 O THR A 22 -8.955 -4.184 -4.279 1.00 0.00 O ATOM 341 CB THR A 22 -9.373 -6.600 -6.688 1.00 0.00 C ATOM 342 OG1 THR A 22 -9.896 -5.381 -7.209 1.00 0.00 O ATOM 343 CG2 THR A 22 -10.399 -7.655 -7.106 1.00 0.00 C ATOM 0 H THR A 22 -11.326 -5.732 -5.418 1.00 0.00 H new ATOM 0 HA THR A 22 -8.912 -7.263 -4.709 1.00 0.00 H new ATOM 0 HB THR A 22 -8.382 -6.902 -7.028 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.945 -5.437 -8.186 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.377 -7.775 -8.189 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.157 -8.606 -6.631 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.395 -7.337 -6.796 1.00 0.00 H new ATOM 351 N ILE A 23 -7.159 -5.396 -4.927 1.00 0.00 N ATOM 352 CA ILE A 23 -6.197 -4.369 -4.566 1.00 0.00 C ATOM 353 C ILE A 23 -6.445 -3.122 -5.418 1.00 0.00 C ATOM 354 O ILE A 23 -6.193 -2.003 -4.975 1.00 0.00 O ATOM 355 CB ILE A 23 -4.770 -4.911 -4.670 1.00 0.00 C ATOM 356 CG1 ILE A 23 -4.474 -5.897 -3.539 1.00 0.00 C ATOM 357 CG2 ILE A 23 -3.752 -3.769 -4.718 1.00 0.00 C ATOM 358 CD1 ILE A 23 -4.447 -5.186 -2.185 1.00 0.00 C ATOM 0 H ILE A 23 -6.750 -6.245 -5.317 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.326 -4.075 -3.524 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.681 -5.461 -5.607 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.232 -6.681 -3.527 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.515 -6.383 -3.718 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.746 -4.181 -4.792 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.951 -3.140 -5.586 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.833 -3.171 -3.810 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.235 -5.910 -1.398 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.672 -4.420 -2.192 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.415 -4.721 -1.999 1.00 0.00 H new ATOM 370 N GLU A 24 -6.936 -3.358 -6.626 1.00 0.00 N ATOM 371 CA GLU A 24 -7.221 -2.269 -7.544 1.00 0.00 C ATOM 372 C GLU A 24 -8.380 -1.420 -7.016 1.00 0.00 C ATOM 373 O GLU A 24 -8.348 -0.193 -7.107 1.00 0.00 O ATOM 374 CB GLU A 24 -7.524 -2.798 -8.946 1.00 0.00 C ATOM 375 CG GLU A 24 -7.316 -1.710 -10.001 1.00 0.00 C ATOM 376 CD GLU A 24 -8.652 -1.255 -10.592 1.00 0.00 C ATOM 377 OE1 GLU A 24 -9.271 -2.082 -11.297 1.00 0.00 O ATOM 378 OE2 GLU A 24 -9.023 -0.092 -10.326 1.00 0.00 O ATOM 0 H GLU A 24 -7.144 -4.288 -6.990 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.335 -1.638 -7.614 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.879 -3.649 -9.164 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.552 -3.158 -8.988 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.804 -0.858 -9.554 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.673 -2.088 -10.796 1.00 0.00 H new ATOM 385 N ASN A 25 -9.376 -2.105 -6.475 1.00 0.00 N ATOM 386 CA ASN A 25 -10.543 -1.430 -5.934 1.00 0.00 C ATOM 387 C ASN A 25 -10.129 -0.607 -4.713 1.00 0.00 C ATOM 388 O ASN A 25 -10.504 0.559 -4.589 1.00 0.00 O ATOM 389 CB ASN A 25 -11.605 -2.437 -5.487 1.00 0.00 C ATOM 390 CG ASN A 25 -13.009 -1.840 -5.598 1.00 0.00 C ATOM 391 OD1 ASN A 25 -13.390 -1.268 -6.608 1.00 0.00 O ATOM 392 ND2 ASN A 25 -13.754 -2.002 -4.510 1.00 0.00 N ATOM 0 H ASN A 25 -9.399 -3.122 -6.400 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.957 -0.793 -6.716 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.539 -3.336 -6.100 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.415 -2.738 -4.457 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -14.707 -1.638 -4.485 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -13.373 -2.490 -3.699 1.00 0.00 H new ATOM 399 N VAL A 26 -9.360 -1.244 -3.842 1.00 0.00 N ATOM 400 CA VAL A 26 -8.890 -0.585 -2.635 1.00 0.00 C ATOM 401 C VAL A 26 -7.979 0.582 -3.018 1.00 0.00 C ATOM 402 O VAL A 26 -8.039 1.648 -2.407 1.00 0.00 O ATOM 403 CB VAL A 26 -8.207 -1.600 -1.716 1.00 0.00 C ATOM 404 CG1 VAL A 26 -7.721 -0.934 -0.428 1.00 0.00 C ATOM 405 CG2 VAL A 26 -9.139 -2.775 -1.408 1.00 0.00 C ATOM 0 H VAL A 26 -9.051 -2.210 -3.948 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.729 -0.172 -2.074 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.335 -1.992 -2.240 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.240 -1.678 0.207 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.006 -0.148 -0.672 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.570 -0.501 0.100 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.629 -3.482 -0.753 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.038 -2.406 -0.914 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.414 -3.275 -2.337 1.00 0.00 H new ATOM 415 N LYS A 27 -7.155 0.341 -4.028 1.00 0.00 N ATOM 416 CA LYS A 27 -6.233 1.359 -4.499 1.00 0.00 C ATOM 417 C LYS A 27 -7.025 2.519 -5.105 1.00 0.00 C ATOM 418 O LYS A 27 -6.672 3.683 -4.918 1.00 0.00 O ATOM 419 CB LYS A 27 -5.206 0.750 -5.457 1.00 0.00 C ATOM 420 CG LYS A 27 -4.033 0.139 -4.687 1.00 0.00 C ATOM 421 CD LYS A 27 -3.041 -0.530 -5.640 1.00 0.00 C ATOM 422 CE LYS A 27 -1.619 -0.019 -5.399 1.00 0.00 C ATOM 423 NZ LYS A 27 -0.647 -1.130 -5.496 1.00 0.00 N ATOM 0 H LYS A 27 -7.107 -0.544 -4.532 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.658 1.765 -3.667 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.683 -0.016 -6.068 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.838 1.518 -6.138 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.526 0.915 -4.114 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.405 -0.594 -3.971 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.071 -1.611 -5.502 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.332 -0.332 -6.672 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.374 0.751 -6.130 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.554 0.444 -4.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.313 -0.767 -5.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.872 -1.852 -4.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.698 -1.554 -6.444 1.00 0.00 H new ATOM 437 N ALA A 28 -8.083 2.163 -5.819 1.00 0.00 N ATOM 438 CA ALA A 28 -8.929 3.159 -6.453 1.00 0.00 C ATOM 439 C ALA A 28 -9.559 4.047 -5.378 1.00 0.00 C ATOM 440 O ALA A 28 -9.664 5.259 -5.552 1.00 0.00 O ATOM 441 CB ALA A 28 -9.978 2.461 -7.321 1.00 0.00 C ATOM 0 H ALA A 28 -8.374 1.197 -5.972 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.340 3.802 -7.107 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.613 3.209 -7.797 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.480 1.868 -8.087 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.590 1.809 -6.698 1.00 0.00 H new ATOM 447 N LYS A 29 -9.961 3.407 -4.289 1.00 0.00 N ATOM 448 CA LYS A 29 -10.578 4.123 -3.186 1.00 0.00 C ATOM 449 C LYS A 29 -9.562 5.094 -2.582 1.00 0.00 C ATOM 450 O LYS A 29 -9.883 6.253 -2.324 1.00 0.00 O ATOM 451 CB LYS A 29 -11.166 3.140 -2.171 1.00 0.00 C ATOM 452 CG LYS A 29 -12.628 3.474 -1.868 1.00 0.00 C ATOM 453 CD LYS A 29 -13.320 2.309 -1.157 1.00 0.00 C ATOM 454 CE LYS A 29 -14.304 2.819 -0.102 1.00 0.00 C ATOM 455 NZ LYS A 29 -15.056 1.691 0.493 1.00 0.00 N ATOM 0 H LYS A 29 -9.871 2.401 -4.148 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.418 4.719 -3.542 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.094 2.124 -2.560 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.584 3.171 -1.250 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.679 4.367 -1.245 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.153 3.702 -2.796 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.849 1.695 -1.886 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.573 1.671 -0.685 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.764 3.356 0.678 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.997 3.527 -0.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -15.999 2.018 0.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.155 0.931 -0.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.543 1.331 1.322 1.00 0.00 H new ATOM 469 N ILE A 30 -8.356 4.585 -2.375 1.00 0.00 N ATOM 470 CA ILE A 30 -7.290 5.395 -1.808 1.00 0.00 C ATOM 471 C ILE A 30 -6.945 6.528 -2.775 1.00 0.00 C ATOM 472 O ILE A 30 -6.615 7.633 -2.350 1.00 0.00 O ATOM 473 CB ILE A 30 -6.093 4.517 -1.435 1.00 0.00 C ATOM 474 CG1 ILE A 30 -6.406 3.654 -0.211 1.00 0.00 C ATOM 475 CG2 ILE A 30 -4.836 5.365 -1.231 1.00 0.00 C ATOM 476 CD1 ILE A 30 -5.561 2.378 -0.210 1.00 0.00 C ATOM 0 H ILE A 30 -8.093 3.623 -2.589 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.618 5.860 -0.878 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.894 3.839 -2.265 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.213 4.223 0.699 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.464 3.394 -0.206 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.000 4.718 -0.967 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.604 5.900 -2.152 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.007 6.082 -0.428 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.803 1.782 0.670 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.774 1.800 -1.109 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.504 2.642 -0.190 1.00 0.00 H new ATOM 488 N GLN A 31 -7.033 6.214 -4.059 1.00 0.00 N ATOM 489 CA GLN A 31 -6.735 7.192 -5.091 1.00 0.00 C ATOM 490 C GLN A 31 -7.751 8.335 -5.050 1.00 0.00 C ATOM 491 O GLN A 31 -7.374 9.504 -4.979 1.00 0.00 O ATOM 492 CB GLN A 31 -6.700 6.538 -6.474 1.00 0.00 C ATOM 493 CG GLN A 31 -6.598 7.593 -7.577 1.00 0.00 C ATOM 494 CD GLN A 31 -6.682 6.949 -8.962 1.00 0.00 C ATOM 495 OE1 GLN A 31 -7.451 6.033 -9.204 1.00 0.00 O ATOM 496 NE2 GLN A 31 -5.848 7.475 -9.856 1.00 0.00 N ATOM 0 H GLN A 31 -7.307 5.296 -4.408 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.745 7.605 -4.896 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.851 5.858 -6.537 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.599 5.940 -6.620 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.400 8.323 -7.462 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.657 8.135 -7.481 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.230 8.241 -9.588 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.827 7.112 -10.809 1.00 0.00 H new ATOM 505 N ASP A 32 -9.020 7.957 -5.096 1.00 0.00 N ATOM 506 CA ASP A 32 -10.094 8.936 -5.065 1.00 0.00 C ATOM 507 C ASP A 32 -10.026 9.719 -3.752 1.00 0.00 C ATOM 508 O ASP A 32 -10.426 10.882 -3.697 1.00 0.00 O ATOM 509 CB ASP A 32 -11.462 8.255 -5.139 1.00 0.00 C ATOM 510 CG ASP A 32 -12.441 8.877 -6.136 1.00 0.00 C ATOM 511 OD1 ASP A 32 -12.322 8.537 -7.334 1.00 0.00 O ATOM 512 OD2 ASP A 32 -13.286 9.677 -5.680 1.00 0.00 O ATOM 0 H ASP A 32 -9.329 6.987 -5.154 1.00 0.00 H new ATOM 0 HA ASP A 32 -9.973 9.597 -5.923 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.316 7.207 -5.402 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.915 8.275 -4.148 1.00 0.00 H new ATOM 517 N LYS A 33 -9.517 9.052 -2.727 1.00 0.00 N ATOM 518 CA LYS A 33 -9.391 9.671 -1.419 1.00 0.00 C ATOM 519 C LYS A 33 -8.223 10.659 -1.437 1.00 0.00 C ATOM 520 O LYS A 33 -8.430 11.872 -1.436 1.00 0.00 O ATOM 521 CB LYS A 33 -9.276 8.602 -0.329 1.00 0.00 C ATOM 522 CG LYS A 33 -9.916 9.080 0.976 1.00 0.00 C ATOM 523 CD LYS A 33 -8.849 9.408 2.023 1.00 0.00 C ATOM 524 CE LYS A 33 -9.431 10.265 3.148 1.00 0.00 C ATOM 525 NZ LYS A 33 -8.393 10.566 4.160 1.00 0.00 N ATOM 0 H LYS A 33 -9.187 8.088 -2.776 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.288 10.242 -1.180 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.761 7.684 -0.662 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.226 8.363 -0.158 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -10.526 9.963 0.784 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -10.584 8.309 1.361 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.444 8.484 2.437 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.021 9.936 1.550 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.828 11.194 2.738 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -10.264 9.742 3.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.805 11.149 4.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.034 9.677 4.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.611 11.084 3.711 1.00 0.00 H new ATOM 539 N GLU A 34 -7.020 10.104 -1.452 1.00 0.00 N ATOM 540 CA GLU A 34 -5.818 10.920 -1.471 1.00 0.00 C ATOM 541 C GLU A 34 -5.714 11.681 -2.795 1.00 0.00 C ATOM 542 O GLU A 34 -5.702 12.910 -2.810 1.00 0.00 O ATOM 543 CB GLU A 34 -4.572 10.068 -1.228 1.00 0.00 C ATOM 544 CG GLU A 34 -3.749 10.621 -0.062 1.00 0.00 C ATOM 545 CD GLU A 34 -3.431 12.103 -0.270 1.00 0.00 C ATOM 546 OE1 GLU A 34 -4.276 12.927 0.140 1.00 0.00 O ATOM 547 OE2 GLU A 34 -2.349 12.378 -0.834 1.00 0.00 O ATOM 0 H GLU A 34 -6.852 9.098 -1.451 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.883 11.647 -0.661 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.866 9.040 -1.015 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.961 10.045 -2.130 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.299 10.491 0.870 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.822 10.056 0.033 1.00 0.00 H new ATOM 554 N GLY A 35 -5.640 10.916 -3.875 1.00 0.00 N ATOM 555 CA GLY A 35 -5.536 11.502 -5.201 1.00 0.00 C ATOM 556 C GLY A 35 -4.377 10.883 -5.984 1.00 0.00 C ATOM 557 O GLY A 35 -4.190 11.183 -7.163 1.00 0.00 O ATOM 0 H GLY A 35 -5.650 9.896 -3.859 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.469 11.350 -5.744 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.388 12.579 -5.116 1.00 0.00 H new ATOM 561 N ILE A 36 -3.629 10.031 -5.298 1.00 0.00 N ATOM 562 CA ILE A 36 -2.494 9.368 -5.916 1.00 0.00 C ATOM 563 C ILE A 36 -2.988 8.166 -6.724 1.00 0.00 C ATOM 564 O ILE A 36 -3.918 7.476 -6.309 1.00 0.00 O ATOM 565 CB ILE A 36 -1.444 9.011 -4.862 1.00 0.00 C ATOM 566 CG1 ILE A 36 -0.888 10.269 -4.192 1.00 0.00 C ATOM 567 CG2 ILE A 36 -0.336 8.144 -5.463 1.00 0.00 C ATOM 568 CD1 ILE A 36 -1.468 10.445 -2.788 1.00 0.00 C ATOM 0 H ILE A 36 -3.787 9.785 -4.321 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.995 10.039 -6.616 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.929 8.421 -4.084 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.199 10.205 -4.135 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.124 11.143 -4.799 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.397 7.905 -4.693 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.767 7.222 -5.853 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.152 8.687 -6.272 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.056 11.347 -2.335 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.553 10.533 -2.851 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.209 9.581 -2.176 1.00 0.00 H new ATOM 580 N PRO A 37 -2.327 7.947 -7.892 1.00 0.00 N ATOM 581 CA PRO A 37 -2.689 6.842 -8.761 1.00 0.00 C ATOM 582 C PRO A 37 -2.193 5.511 -8.192 1.00 0.00 C ATOM 583 O PRO A 37 -1.344 5.491 -7.303 1.00 0.00 O ATOM 584 CB PRO A 37 -2.070 7.179 -10.107 1.00 0.00 C ATOM 585 CG PRO A 37 -0.999 8.221 -9.824 1.00 0.00 C ATOM 586 CD PRO A 37 -1.221 8.745 -8.414 1.00 0.00 C ATOM 0 HA PRO A 37 -3.768 6.718 -8.854 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.639 6.292 -10.572 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.820 7.567 -10.796 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.005 7.782 -9.916 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.057 9.034 -10.547 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.326 8.629 -7.803 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.467 9.807 -8.420 1.00 0.00 H new ATOM 594 N PRO A 38 -2.760 4.404 -8.741 1.00 0.00 N ATOM 595 CA PRO A 38 -2.385 3.072 -8.298 1.00 0.00 C ATOM 596 C PRO A 38 -1.009 2.680 -8.841 1.00 0.00 C ATOM 597 O PRO A 38 -0.269 1.942 -8.194 1.00 0.00 O ATOM 598 CB PRO A 38 -3.499 2.164 -8.791 1.00 0.00 C ATOM 599 CG PRO A 38 -4.215 2.939 -9.886 1.00 0.00 C ATOM 600 CD PRO A 38 -3.770 4.390 -9.796 1.00 0.00 C ATOM 0 HA PRO A 38 -2.284 3.003 -7.215 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.097 1.226 -9.175 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.183 1.910 -7.981 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.975 2.526 -10.866 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.295 2.863 -9.764 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.358 4.737 -10.743 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.606 5.046 -9.553 1.00 0.00 H new ATOM 608 N ASP A 39 -0.709 3.192 -10.025 1.00 0.00 N ATOM 609 CA ASP A 39 0.565 2.905 -10.664 1.00 0.00 C ATOM 610 C ASP A 39 1.690 3.567 -9.866 1.00 0.00 C ATOM 611 O ASP A 39 2.798 3.037 -9.793 1.00 0.00 O ATOM 612 CB ASP A 39 0.604 3.462 -12.089 1.00 0.00 C ATOM 613 CG ASP A 39 0.045 2.528 -13.164 1.00 0.00 C ATOM 614 OD1 ASP A 39 0.267 1.306 -13.025 1.00 0.00 O ATOM 615 OD2 ASP A 39 -0.592 3.057 -14.099 1.00 0.00 O ATOM 0 H ASP A 39 -1.326 3.804 -10.559 1.00 0.00 H new ATOM 0 HA ASP A 39 0.691 1.823 -10.697 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.043 4.396 -12.113 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.637 3.704 -12.340 1.00 0.00 H new ATOM 620 N GLN A 40 1.367 4.715 -9.289 1.00 0.00 N ATOM 621 CA GLN A 40 2.338 5.454 -8.500 1.00 0.00 C ATOM 622 C GLN A 40 2.253 5.040 -7.029 1.00 0.00 C ATOM 623 O GLN A 40 3.076 5.454 -6.215 1.00 0.00 O ATOM 624 CB GLN A 40 2.138 6.963 -8.656 1.00 0.00 C ATOM 625 CG GLN A 40 2.363 7.398 -10.106 1.00 0.00 C ATOM 626 CD GLN A 40 3.773 7.035 -10.575 1.00 0.00 C ATOM 627 OE1 GLN A 40 4.703 6.920 -9.794 1.00 0.00 O ATOM 628 NE2 GLN A 40 3.879 6.863 -11.890 1.00 0.00 N ATOM 0 H GLN A 40 0.447 5.151 -9.352 1.00 0.00 H new ATOM 0 HA GLN A 40 3.335 5.212 -8.869 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.130 7.234 -8.343 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.829 7.495 -8.001 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.627 6.919 -10.751 1.00 0.00 H new ATOM 0 HG3 GLN A 40 2.212 8.474 -10.194 1.00 0.00 H new ATOM 0 HE21 GLN A 40 3.059 6.975 -12.487 1.00 0.00 H new ATOM 0 HE22 GLN A 40 4.780 6.619 -12.301 1.00 0.00 H new ATOM 637 N GLN A 41 1.248 4.228 -6.734 1.00 0.00 N ATOM 638 CA GLN A 41 1.044 3.752 -5.376 1.00 0.00 C ATOM 639 C GLN A 41 1.743 2.407 -5.173 1.00 0.00 C ATOM 640 O GLN A 41 1.729 1.556 -6.061 1.00 0.00 O ATOM 641 CB GLN A 41 -0.447 3.650 -5.049 1.00 0.00 C ATOM 642 CG GLN A 41 -0.853 4.691 -4.004 1.00 0.00 C ATOM 643 CD GLN A 41 -2.309 4.499 -3.576 1.00 0.00 C ATOM 644 OE1 GLN A 41 -2.613 3.841 -2.595 1.00 0.00 O ATOM 645 NE2 GLN A 41 -3.189 5.111 -4.364 1.00 0.00 N ATOM 0 H GLN A 41 0.566 3.888 -7.412 1.00 0.00 H new ATOM 0 HA GLN A 41 1.485 4.475 -4.689 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.032 3.794 -5.957 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.674 2.650 -4.679 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.201 4.612 -3.134 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.719 5.693 -4.412 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.866 5.646 -5.170 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.187 5.045 -4.162 1.00 0.00 H new ATOM 654 N ARG A 42 2.339 2.258 -4.000 1.00 0.00 N ATOM 655 CA ARG A 42 3.043 1.030 -3.669 1.00 0.00 C ATOM 656 C ARG A 42 2.660 0.561 -2.264 1.00 0.00 C ATOM 657 O ARG A 42 3.118 1.124 -1.271 1.00 0.00 O ATOM 658 CB ARG A 42 4.559 1.229 -3.738 1.00 0.00 C ATOM 659 CG ARG A 42 5.180 0.338 -4.816 1.00 0.00 C ATOM 660 CD ARG A 42 5.908 -0.854 -4.190 1.00 0.00 C ATOM 661 NE ARG A 42 5.830 -2.024 -5.092 1.00 0.00 N ATOM 662 CZ ARG A 42 6.514 -2.136 -6.239 1.00 0.00 C ATOM 663 NH1 ARG A 42 7.332 -1.148 -6.630 1.00 0.00 N ATOM 664 NH2 ARG A 42 6.383 -3.235 -6.994 1.00 0.00 N ATOM 0 H ARG A 42 2.349 2.967 -3.267 1.00 0.00 H new ATOM 0 HA ARG A 42 2.754 0.274 -4.399 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.783 2.274 -3.951 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.004 0.999 -2.770 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.402 -0.020 -5.490 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.878 0.921 -5.417 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.951 -0.597 -4.004 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.462 -1.097 -3.226 1.00 0.00 H new ATOM 0 HE ARG A 42 5.217 -2.794 -4.824 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.433 -0.312 -6.055 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.853 -1.233 -7.503 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.762 -3.987 -6.696 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.904 -3.319 -7.867 1.00 0.00 H new ATOM 678 N LEU A 43 1.826 -0.467 -2.225 1.00 0.00 N ATOM 679 CA LEU A 43 1.377 -1.019 -0.957 1.00 0.00 C ATOM 680 C LEU A 43 2.226 -2.244 -0.610 1.00 0.00 C ATOM 681 O LEU A 43 2.216 -3.236 -1.335 1.00 0.00 O ATOM 682 CB LEU A 43 -0.125 -1.306 -1.001 1.00 0.00 C ATOM 683 CG LEU A 43 -0.960 -0.379 -1.887 1.00 0.00 C ATOM 684 CD1 LEU A 43 -2.455 -0.569 -1.626 1.00 0.00 C ATOM 685 CD2 LEU A 43 -0.529 1.079 -1.716 1.00 0.00 C ATOM 0 H LEU A 43 1.449 -0.933 -3.050 1.00 0.00 H new ATOM 0 HA LEU A 43 1.518 -0.295 -0.155 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.269 -2.331 -1.344 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.515 -1.253 0.016 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.779 -0.648 -2.928 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.025 0.102 -2.269 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.734 -1.601 -1.841 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.674 -0.344 -0.582 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.138 1.716 -2.357 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.661 1.378 -0.676 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.520 1.183 -1.993 1.00 0.00 H new ATOM 697 N ILE A 44 2.941 -2.132 0.501 1.00 0.00 N ATOM 698 CA ILE A 44 3.793 -3.217 0.954 1.00 0.00 C ATOM 699 C ILE A 44 3.119 -3.937 2.123 1.00 0.00 C ATOM 700 O ILE A 44 2.579 -3.296 3.022 1.00 0.00 O ATOM 701 CB ILE A 44 5.196 -2.697 1.278 1.00 0.00 C ATOM 702 CG1 ILE A 44 5.899 -2.192 0.017 1.00 0.00 C ATOM 703 CG2 ILE A 44 6.019 -3.760 2.008 1.00 0.00 C ATOM 704 CD1 ILE A 44 6.860 -1.047 0.345 1.00 0.00 C ATOM 0 H ILE A 44 2.947 -1.306 1.100 1.00 0.00 H new ATOM 0 HA ILE A 44 3.926 -3.953 0.161 1.00 0.00 H new ATOM 0 HB ILE A 44 5.098 -1.847 1.953 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.448 -3.010 -0.450 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.157 -1.853 -0.706 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.011 -3.365 2.226 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.522 -4.028 2.940 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.111 -4.645 1.378 1.00 0.00 H new ATOM 0 HD11 ILE A 44 7.346 -0.707 -0.569 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.304 -0.221 0.789 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.615 -1.396 1.049 1.00 0.00 H new ATOM 716 N PHE A 45 3.172 -5.260 2.072 1.00 0.00 N ATOM 717 CA PHE A 45 2.572 -6.073 3.115 1.00 0.00 C ATOM 718 C PHE A 45 3.309 -7.406 3.264 1.00 0.00 C ATOM 719 O PHE A 45 3.508 -8.122 2.283 1.00 0.00 O ATOM 720 CB PHE A 45 1.127 -6.347 2.694 1.00 0.00 C ATOM 721 CG PHE A 45 0.161 -6.531 3.866 1.00 0.00 C ATOM 722 CD1 PHE A 45 0.360 -7.537 4.761 1.00 0.00 C ATOM 723 CD2 PHE A 45 -0.896 -5.688 4.015 1.00 0.00 C ATOM 724 CE1 PHE A 45 -0.537 -7.707 5.849 1.00 0.00 C ATOM 725 CE2 PHE A 45 -1.792 -5.858 5.103 1.00 0.00 C ATOM 726 CZ PHE A 45 -1.594 -6.864 5.997 1.00 0.00 C ATOM 0 H PHE A 45 3.621 -5.789 1.324 1.00 0.00 H new ATOM 0 HA PHE A 45 2.625 -5.550 4.070 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.777 -5.521 2.075 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.104 -7.243 2.074 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.200 -8.206 4.644 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.054 -4.889 3.305 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.380 -8.506 6.559 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.631 -5.188 5.221 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.276 -6.993 6.824 1.00 0.00 H new ATOM 736 N ALA A 46 3.694 -7.698 4.497 1.00 0.00 N ATOM 737 CA ALA A 46 4.405 -8.933 4.786 1.00 0.00 C ATOM 738 C ALA A 46 5.647 -9.021 3.895 1.00 0.00 C ATOM 739 O ALA A 46 6.136 -10.114 3.614 1.00 0.00 O ATOM 740 CB ALA A 46 3.463 -10.122 4.592 1.00 0.00 C ATOM 0 H ALA A 46 3.528 -7.102 5.308 1.00 0.00 H new ATOM 0 HA ALA A 46 4.741 -8.949 5.823 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.996 -11.048 4.809 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.613 -10.026 5.267 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.108 -10.140 3.562 1.00 0.00 H new ATOM 746 N GLY A 47 6.121 -7.856 3.479 1.00 0.00 N ATOM 747 CA GLY A 47 7.296 -7.789 2.626 1.00 0.00 C ATOM 748 C GLY A 47 6.914 -7.934 1.153 1.00 0.00 C ATOM 749 O GLY A 47 7.713 -7.633 0.267 1.00 0.00 O ATOM 0 H GLY A 47 5.713 -6.952 3.716 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.808 -6.839 2.781 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.996 -8.577 2.903 1.00 0.00 H new ATOM 753 N LYS A 48 5.690 -8.394 0.934 1.00 0.00 N ATOM 754 CA LYS A 48 5.192 -8.583 -0.417 1.00 0.00 C ATOM 755 C LYS A 48 4.280 -7.412 -0.789 1.00 0.00 C ATOM 756 O LYS A 48 3.451 -6.987 0.015 1.00 0.00 O ATOM 757 CB LYS A 48 4.522 -9.952 -0.555 1.00 0.00 C ATOM 758 CG LYS A 48 3.945 -10.141 -1.959 1.00 0.00 C ATOM 759 CD LYS A 48 3.695 -11.621 -2.255 1.00 0.00 C ATOM 760 CE LYS A 48 2.198 -11.915 -2.354 1.00 0.00 C ATOM 761 NZ LYS A 48 1.964 -13.371 -2.497 1.00 0.00 N ATOM 0 H LYS A 48 5.029 -8.641 1.670 1.00 0.00 H new ATOM 0 HA LYS A 48 6.017 -8.584 -1.130 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.248 -10.738 -0.347 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.727 -10.048 0.185 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.012 -9.586 -2.050 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.634 -9.730 -2.697 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.186 -11.897 -3.188 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.138 -12.233 -1.469 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.689 -11.544 -1.464 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.773 -11.387 -3.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.942 -13.554 -2.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.434 -13.715 -3.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.352 -13.868 -1.670 1.00 0.00 H new ATOM 775 N GLN A 49 4.464 -6.923 -2.006 1.00 0.00 N ATOM 776 CA GLN A 49 3.668 -5.809 -2.493 1.00 0.00 C ATOM 777 C GLN A 49 2.337 -6.314 -3.054 1.00 0.00 C ATOM 778 O GLN A 49 2.284 -7.371 -3.680 1.00 0.00 O ATOM 779 CB GLN A 49 4.436 -5.005 -3.543 1.00 0.00 C ATOM 780 CG GLN A 49 4.778 -5.872 -4.756 1.00 0.00 C ATOM 781 CD GLN A 49 6.181 -6.469 -4.624 1.00 0.00 C ATOM 782 OE1 GLN A 49 6.900 -6.227 -3.670 1.00 0.00 O ATOM 783 NE2 GLN A 49 6.527 -7.263 -5.635 1.00 0.00 N ATOM 0 H GLN A 49 5.153 -7.278 -2.670 1.00 0.00 H new ATOM 0 HA GLN A 49 3.458 -5.143 -1.656 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.839 -4.150 -3.860 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.352 -4.609 -3.105 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.045 -6.673 -4.853 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.718 -5.273 -5.665 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.876 -7.423 -6.404 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.443 -7.711 -5.641 1.00 0.00 H new ATOM 792 N LEU A 50 1.295 -5.533 -2.810 1.00 0.00 N ATOM 793 CA LEU A 50 -0.033 -5.887 -3.282 1.00 0.00 C ATOM 794 C LEU A 50 -0.129 -5.599 -4.782 1.00 0.00 C ATOM 795 O LEU A 50 -0.007 -4.451 -5.206 1.00 0.00 O ATOM 796 CB LEU A 50 -1.104 -5.180 -2.450 1.00 0.00 C ATOM 797 CG LEU A 50 -0.797 -5.016 -0.960 1.00 0.00 C ATOM 798 CD1 LEU A 50 -1.959 -4.338 -0.233 1.00 0.00 C ATOM 799 CD2 LEU A 50 -0.430 -6.359 -0.326 1.00 0.00 C ATOM 0 H LEU A 50 1.343 -4.656 -2.291 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.213 -6.954 -3.149 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.273 -4.191 -2.877 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.037 -5.734 -2.549 1.00 0.00 H new ATOM 0 HG LEU A 50 0.071 -4.364 -0.859 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.715 -4.233 0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.133 -3.352 -0.665 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.858 -4.944 -0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.216 -6.215 0.733 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.263 -7.053 -0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.451 -6.767 -0.822 1.00 0.00 H new ATOM 811 N GLU A 51 -0.347 -6.661 -5.544 1.00 0.00 N ATOM 812 CA GLU A 51 -0.460 -6.537 -6.987 1.00 0.00 C ATOM 813 C GLU A 51 -1.913 -6.266 -7.383 1.00 0.00 C ATOM 814 O GLU A 51 -2.789 -7.099 -7.153 1.00 0.00 O ATOM 815 CB GLU A 51 0.076 -7.786 -7.689 1.00 0.00 C ATOM 816 CG GLU A 51 1.486 -8.127 -7.201 1.00 0.00 C ATOM 817 CD GLU A 51 2.185 -9.081 -8.171 1.00 0.00 C ATOM 818 OE1 GLU A 51 2.320 -8.693 -9.351 1.00 0.00 O ATOM 819 OE2 GLU A 51 2.570 -10.177 -7.708 1.00 0.00 O ATOM 0 H GLU A 51 -0.448 -7.612 -5.189 1.00 0.00 H new ATOM 0 HA GLU A 51 0.148 -5.692 -7.309 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.591 -8.627 -7.501 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.090 -7.624 -8.767 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.071 -7.213 -7.099 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.432 -8.583 -6.212 1.00 0.00 H new ATOM 826 N ASP A 52 -2.125 -5.099 -7.972 1.00 0.00 N ATOM 827 CA ASP A 52 -3.457 -4.708 -8.403 1.00 0.00 C ATOM 828 C ASP A 52 -4.103 -5.867 -9.163 1.00 0.00 C ATOM 829 O ASP A 52 -3.762 -6.126 -10.315 1.00 0.00 O ATOM 830 CB ASP A 52 -3.400 -3.501 -9.342 1.00 0.00 C ATOM 831 CG ASP A 52 -2.461 -3.657 -10.540 1.00 0.00 C ATOM 832 OD1 ASP A 52 -1.245 -3.448 -10.339 1.00 0.00 O ATOM 833 OD2 ASP A 52 -2.981 -3.982 -11.629 1.00 0.00 O ATOM 0 H ASP A 52 -1.397 -4.411 -8.161 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.035 -4.449 -7.516 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.405 -3.299 -9.712 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.090 -2.628 -8.768 1.00 0.00 H new ATOM 838 N GLY A 53 -5.024 -6.536 -8.486 1.00 0.00 N ATOM 839 CA GLY A 53 -5.722 -7.663 -9.082 1.00 0.00 C ATOM 840 C GLY A 53 -5.975 -8.761 -8.047 1.00 0.00 C ATOM 841 O GLY A 53 -6.770 -9.669 -8.283 1.00 0.00 O ATOM 0 H GLY A 53 -5.304 -6.319 -7.529 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.671 -7.327 -9.501 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.134 -8.065 -9.907 1.00 0.00 H new ATOM 845 N ARG A 54 -5.284 -8.641 -6.923 1.00 0.00 N ATOM 846 CA ARG A 54 -5.424 -9.613 -5.852 1.00 0.00 C ATOM 847 C ARG A 54 -6.420 -9.108 -4.804 1.00 0.00 C ATOM 848 O ARG A 54 -6.647 -7.905 -4.688 1.00 0.00 O ATOM 849 CB ARG A 54 -4.079 -9.886 -5.176 1.00 0.00 C ATOM 850 CG ARG A 54 -3.293 -10.958 -5.933 1.00 0.00 C ATOM 851 CD ARG A 54 -3.567 -12.348 -5.356 1.00 0.00 C ATOM 852 NE ARG A 54 -2.650 -13.339 -5.963 1.00 0.00 N ATOM 853 CZ ARG A 54 -2.654 -14.646 -5.668 1.00 0.00 C ATOM 854 NH1 ARG A 54 -3.527 -15.128 -4.773 1.00 0.00 N ATOM 855 NH2 ARG A 54 -1.785 -15.471 -6.268 1.00 0.00 N ATOM 0 H ARG A 54 -4.626 -7.886 -6.731 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.792 -10.540 -6.292 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.496 -8.966 -5.132 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.243 -10.208 -4.148 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.567 -10.938 -6.988 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.226 -10.740 -5.876 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.435 -12.334 -4.274 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.602 -12.633 -5.548 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.973 -13.006 -6.649 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.188 -14.500 -4.316 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.530 -16.123 -4.548 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.120 -15.104 -6.949 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.788 -16.466 -6.043 1.00 0.00 H new ATOM 869 N THR A 55 -6.986 -10.054 -4.070 1.00 0.00 N ATOM 870 CA THR A 55 -7.952 -9.721 -3.036 1.00 0.00 C ATOM 871 C THR A 55 -7.266 -9.644 -1.670 1.00 0.00 C ATOM 872 O THR A 55 -6.343 -10.408 -1.391 1.00 0.00 O ATOM 873 CB THR A 55 -9.079 -10.754 -3.092 1.00 0.00 C ATOM 874 OG1 THR A 55 -8.420 -12.000 -2.884 1.00 0.00 O ATOM 875 CG2 THR A 55 -9.686 -10.882 -4.492 1.00 0.00 C ATOM 0 H THR A 55 -6.795 -11.051 -4.170 1.00 0.00 H new ATOM 0 HA THR A 55 -8.386 -8.735 -3.203 1.00 0.00 H new ATOM 0 HB THR A 55 -9.859 -10.479 -2.381 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.078 -12.726 -2.904 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.481 -11.628 -4.477 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.096 -9.920 -4.800 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.913 -11.189 -5.197 1.00 0.00 H new ATOM 883 N LEU A 56 -7.744 -8.714 -0.857 1.00 0.00 N ATOM 884 CA LEU A 56 -7.189 -8.527 0.473 1.00 0.00 C ATOM 885 C LEU A 56 -7.264 -9.847 1.244 1.00 0.00 C ATOM 886 O LEU A 56 -6.361 -10.174 2.011 1.00 0.00 O ATOM 887 CB LEU A 56 -7.879 -7.361 1.183 1.00 0.00 C ATOM 888 CG LEU A 56 -7.816 -6.009 0.469 1.00 0.00 C ATOM 889 CD1 LEU A 56 -8.978 -5.109 0.894 1.00 0.00 C ATOM 890 CD2 LEU A 56 -6.459 -5.335 0.689 1.00 0.00 C ATOM 0 H LEU A 56 -8.509 -8.082 -1.093 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.136 -8.254 0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.927 -7.622 1.333 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.434 -7.249 2.171 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.919 -6.184 -0.602 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.909 -4.155 0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.923 -5.592 0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.931 -4.938 1.970 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.441 -4.376 0.171 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.301 -5.174 1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.668 -5.974 0.297 1.00 0.00 H new ATOM 902 N SER A 57 -8.350 -10.570 1.011 1.00 0.00 N ATOM 903 CA SER A 57 -8.555 -11.846 1.673 1.00 0.00 C ATOM 904 C SER A 57 -7.460 -12.832 1.261 1.00 0.00 C ATOM 905 O SER A 57 -6.998 -13.629 2.075 1.00 0.00 O ATOM 906 CB SER A 57 -9.935 -12.420 1.347 1.00 0.00 C ATOM 907 OG SER A 57 -10.201 -13.617 2.074 1.00 0.00 O ATOM 0 H SER A 57 -9.097 -10.296 0.373 1.00 0.00 H new ATOM 0 HA SER A 57 -8.503 -11.684 2.750 1.00 0.00 H new ATOM 0 HB2 SER A 57 -10.700 -11.678 1.578 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.000 -12.623 0.278 1.00 0.00 H new ATOM 0 HG SER A 57 -11.092 -13.951 1.839 1.00 0.00 H new ATOM 913 N ASP A 58 -7.078 -12.746 -0.005 1.00 0.00 N ATOM 914 CA ASP A 58 -6.045 -13.620 -0.536 1.00 0.00 C ATOM 915 C ASP A 58 -4.723 -13.332 0.177 1.00 0.00 C ATOM 916 O ASP A 58 -3.812 -14.159 0.162 1.00 0.00 O ATOM 917 CB ASP A 58 -5.837 -13.382 -2.033 1.00 0.00 C ATOM 918 CG ASP A 58 -6.428 -14.458 -2.947 1.00 0.00 C ATOM 919 OD1 ASP A 58 -6.821 -15.512 -2.402 1.00 0.00 O ATOM 920 OD2 ASP A 58 -6.471 -14.202 -4.170 1.00 0.00 O ATOM 0 H ASP A 58 -7.465 -12.085 -0.678 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.361 -14.651 -0.376 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.277 -12.420 -2.297 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.767 -13.308 -2.229 1.00 0.00 H new ATOM 925 N TYR A 59 -4.658 -12.156 0.783 1.00 0.00 N ATOM 926 CA TYR A 59 -3.462 -11.748 1.501 1.00 0.00 C ATOM 927 C TYR A 59 -3.607 -12.007 3.002 1.00 0.00 C ATOM 928 O TYR A 59 -2.683 -11.750 3.771 1.00 0.00 O ATOM 929 CB TYR A 59 -3.323 -10.243 1.266 1.00 0.00 C ATOM 930 CG TYR A 59 -2.701 -9.878 -0.083 1.00 0.00 C ATOM 931 CD1 TYR A 59 -1.410 -10.266 -0.376 1.00 0.00 C ATOM 932 CD2 TYR A 59 -3.433 -9.161 -1.009 1.00 0.00 C ATOM 933 CE1 TYR A 59 -0.825 -9.923 -1.647 1.00 0.00 C ATOM 934 CE2 TYR A 59 -2.848 -8.818 -2.279 1.00 0.00 C ATOM 935 CZ TYR A 59 -1.573 -9.215 -2.535 1.00 0.00 C ATOM 936 OH TYR A 59 -1.021 -8.891 -3.735 1.00 0.00 O ATOM 0 H TYR A 59 -5.415 -11.472 0.792 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.595 -12.308 1.151 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.308 -9.782 1.337 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.714 -9.816 2.063 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.838 -10.827 0.348 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.444 -8.858 -0.780 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.184 -10.221 -1.889 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.409 -8.258 -3.012 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.066 -9.664 -4.335 1.00 0.00 H new ATOM 946 N ASN A 60 -4.775 -12.513 3.372 1.00 0.00 N ATOM 947 CA ASN A 60 -5.052 -12.809 4.767 1.00 0.00 C ATOM 948 C ASN A 60 -4.811 -11.555 5.609 1.00 0.00 C ATOM 949 O ASN A 60 -4.027 -11.579 6.557 1.00 0.00 O ATOM 950 CB ASN A 60 -4.130 -13.913 5.289 1.00 0.00 C ATOM 951 CG ASN A 60 -3.806 -14.924 4.188 1.00 0.00 C ATOM 952 OD1 ASN A 60 -2.829 -14.803 3.467 1.00 0.00 O ATOM 953 ND2 ASN A 60 -4.677 -15.925 4.098 1.00 0.00 N ATOM 0 H ASN A 60 -5.539 -12.725 2.730 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.088 -13.138 4.842 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.207 -13.473 5.666 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.606 -14.423 6.127 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.548 -16.651 3.394 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.474 -15.966 4.733 1.00 0.00 H new ATOM 960 N ILE A 61 -5.500 -10.487 5.232 1.00 0.00 N ATOM 961 CA ILE A 61 -5.371 -9.225 5.940 1.00 0.00 C ATOM 962 C ILE A 61 -6.274 -9.243 7.175 1.00 0.00 C ATOM 963 O ILE A 61 -7.424 -9.675 7.101 1.00 0.00 O ATOM 964 CB ILE A 61 -5.642 -8.051 4.997 1.00 0.00 C ATOM 965 CG1 ILE A 61 -4.418 -7.750 4.131 1.00 0.00 C ATOM 966 CG2 ILE A 61 -6.111 -6.820 5.774 1.00 0.00 C ATOM 967 CD1 ILE A 61 -4.833 -7.165 2.779 1.00 0.00 C ATOM 0 H ILE A 61 -6.149 -10.470 4.445 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.349 -9.090 6.294 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.451 -8.334 4.324 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.765 -7.048 4.650 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.845 -8.664 3.975 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.296 -6.000 5.080 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -7.030 -7.056 6.310 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.341 -6.525 6.487 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.944 -6.960 2.183 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.466 -7.879 2.253 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.385 -6.239 2.937 1.00 0.00 H new ATOM 979 N GLN A 62 -5.721 -8.769 8.281 1.00 0.00 N ATOM 980 CA GLN A 62 -6.462 -8.725 9.530 1.00 0.00 C ATOM 981 C GLN A 62 -7.087 -7.342 9.728 1.00 0.00 C ATOM 982 O GLN A 62 -6.608 -6.355 9.171 1.00 0.00 O ATOM 983 CB GLN A 62 -5.567 -9.097 10.714 1.00 0.00 C ATOM 984 CG GLN A 62 -4.678 -10.295 10.372 1.00 0.00 C ATOM 985 CD GLN A 62 -5.451 -11.609 10.515 1.00 0.00 C ATOM 986 OE1 GLN A 62 -6.663 -11.660 10.401 1.00 0.00 O ATOM 987 NE2 GLN A 62 -4.682 -12.663 10.768 1.00 0.00 N ATOM 0 H GLN A 62 -4.767 -8.412 8.338 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.264 -9.461 9.479 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -4.946 -8.244 10.987 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.184 -9.333 11.581 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.306 -10.197 9.352 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.808 -10.307 11.029 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -3.672 -12.549 10.851 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.102 -13.586 10.879 1.00 0.00 H new ATOM 996 N LYS A 63 -8.145 -7.314 10.524 1.00 0.00 N ATOM 997 CA LYS A 63 -8.839 -6.069 10.803 1.00 0.00 C ATOM 998 C LYS A 63 -7.825 -5.011 11.243 1.00 0.00 C ATOM 999 O LYS A 63 -6.997 -5.266 12.118 1.00 0.00 O ATOM 1000 CB LYS A 63 -9.966 -6.297 11.813 1.00 0.00 C ATOM 1001 CG LYS A 63 -9.469 -7.105 13.015 1.00 0.00 C ATOM 1002 CD LYS A 63 -10.072 -8.511 13.017 1.00 0.00 C ATOM 1003 CE LYS A 63 -9.136 -9.508 13.704 1.00 0.00 C ATOM 1004 NZ LYS A 63 -9.915 -10.541 14.422 1.00 0.00 N ATOM 0 H LYS A 63 -8.539 -8.134 10.985 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.322 -5.693 9.901 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.356 -5.337 12.151 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.790 -6.824 11.332 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.381 -7.172 12.988 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.734 -6.590 13.939 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.034 -8.497 13.529 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.261 -8.831 11.992 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.491 -9.980 12.963 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.486 -8.983 14.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.264 -11.209 14.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.512 -10.087 15.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.517 -11.054 13.747 1.00 0.00 H new ATOM 1018 N GLU A 64 -7.922 -3.848 10.617 1.00 0.00 N ATOM 1019 CA GLU A 64 -7.023 -2.751 10.933 1.00 0.00 C ATOM 1020 C GLU A 64 -5.566 -3.201 10.792 1.00 0.00 C ATOM 1021 O GLU A 64 -4.782 -3.077 11.732 1.00 0.00 O ATOM 1022 CB GLU A 64 -7.295 -2.205 12.335 1.00 0.00 C ATOM 1023 CG GLU A 64 -8.795 -2.015 12.569 1.00 0.00 C ATOM 1024 CD GLU A 64 -9.236 -2.685 13.871 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -9.193 -3.934 13.911 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -9.609 -1.934 14.798 1.00 0.00 O ATOM 0 H GLU A 64 -8.609 -3.641 9.892 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.204 -1.943 10.224 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.891 -2.890 13.080 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.780 -1.253 12.465 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.029 -0.951 12.606 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.353 -2.435 11.732 1.00 0.00 H new ATOM 1033 N SER A 65 -5.251 -3.714 9.613 1.00 0.00 N ATOM 1034 CA SER A 65 -3.903 -4.183 9.338 1.00 0.00 C ATOM 1035 C SER A 65 -2.966 -2.992 9.128 1.00 0.00 C ATOM 1036 O SER A 65 -3.421 -1.855 9.005 1.00 0.00 O ATOM 1037 CB SER A 65 -3.878 -5.100 8.112 1.00 0.00 C ATOM 1038 OG SER A 65 -4.231 -6.441 8.442 1.00 0.00 O ATOM 0 H SER A 65 -5.905 -3.816 8.837 1.00 0.00 H new ATOM 0 HA SER A 65 -3.560 -4.759 10.197 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.568 -4.718 7.359 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.882 -5.086 7.669 1.00 0.00 H new ATOM 0 HG SER A 65 -4.878 -6.437 9.178 1.00 0.00 H new ATOM 1044 N THR A 66 -1.677 -3.292 9.095 1.00 0.00 N ATOM 1045 CA THR A 66 -0.673 -2.260 8.902 1.00 0.00 C ATOM 1046 C THR A 66 -0.094 -2.336 7.488 1.00 0.00 C ATOM 1047 O THR A 66 0.736 -3.197 7.198 1.00 0.00 O ATOM 1048 CB THR A 66 0.382 -2.416 9.999 1.00 0.00 C ATOM 1049 OG1 THR A 66 -0.218 -1.820 11.147 1.00 0.00 O ATOM 1050 CG2 THR A 66 1.625 -1.562 9.743 1.00 0.00 C ATOM 0 H THR A 66 -1.304 -4.236 9.199 1.00 0.00 H new ATOM 0 HA THR A 66 -1.108 -1.264 8.988 1.00 0.00 H new ATOM 0 HB THR A 66 0.671 -3.464 10.076 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.399 -1.879 11.906 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.341 -1.710 10.551 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.080 -1.856 8.797 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.341 -0.511 9.698 1.00 0.00 H new ATOM 1058 N LEU A 67 -0.554 -1.423 6.645 1.00 0.00 N ATOM 1059 CA LEU A 67 -0.093 -1.376 5.269 1.00 0.00 C ATOM 1060 C LEU A 67 0.793 -0.144 5.074 1.00 0.00 C ATOM 1061 O LEU A 67 0.552 0.900 5.680 1.00 0.00 O ATOM 1062 CB LEU A 67 -1.279 -1.440 4.304 1.00 0.00 C ATOM 1063 CG LEU A 67 -2.237 -2.617 4.495 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -3.087 -2.434 5.754 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -3.097 -2.832 3.249 1.00 0.00 C ATOM 0 H LEU A 67 -1.241 -0.710 6.889 1.00 0.00 H new ATOM 0 HA LEU A 67 0.520 -2.249 5.043 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.848 -0.515 4.398 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.892 -1.474 3.286 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.644 -3.520 4.636 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.759 -3.285 5.866 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.436 -2.368 6.626 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.672 -1.518 5.668 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.769 -3.675 3.412 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.682 -1.934 3.052 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.454 -3.041 2.394 1.00 0.00 H new ATOM 1077 N HIS A 68 1.798 -0.305 4.227 1.00 0.00 N ATOM 1078 CA HIS A 68 2.720 0.783 3.945 1.00 0.00 C ATOM 1079 C HIS A 68 2.456 1.329 2.540 1.00 0.00 C ATOM 1080 O HIS A 68 2.536 0.593 1.558 1.00 0.00 O ATOM 1081 CB HIS A 68 4.169 0.331 4.141 1.00 0.00 C ATOM 1082 CG HIS A 68 4.966 1.212 5.073 1.00 0.00 C ATOM 1083 ND1 HIS A 68 4.982 2.592 4.967 1.00 0.00 N ATOM 1084 CD2 HIS A 68 5.774 0.897 6.126 1.00 0.00 C ATOM 1085 CE1 HIS A 68 5.767 3.075 5.919 1.00 0.00 C ATOM 1086 NE2 HIS A 68 6.257 2.023 6.635 1.00 0.00 N ATOM 0 H HIS A 68 1.995 -1.172 3.727 1.00 0.00 H new ATOM 0 HA HIS A 68 2.554 1.597 4.651 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.172 -0.688 4.529 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.665 0.304 3.171 1.00 0.00 H new ATOM 0 HD2 HIS A 68 5.985 -0.100 6.484 1.00 0.00 H new ATOM 0 HE1 HIS A 68 5.981 4.119 6.097 1.00 0.00 H new ATOM 0 HE2 HIS A 68 6.891 2.091 7.431 1.00 0.00 H new ATOM 1094 N LEU A 69 2.143 2.616 2.490 1.00 0.00 N ATOM 1095 CA LEU A 69 1.866 3.270 1.223 1.00 0.00 C ATOM 1096 C LEU A 69 3.086 4.089 0.798 1.00 0.00 C ATOM 1097 O LEU A 69 3.272 5.215 1.257 1.00 0.00 O ATOM 1098 CB LEU A 69 0.576 4.088 1.313 1.00 0.00 C ATOM 1099 CG LEU A 69 0.525 5.356 0.458 1.00 0.00 C ATOM 1100 CD1 LEU A 69 0.859 5.045 -1.003 1.00 0.00 C ATOM 1101 CD2 LEU A 69 -0.826 6.059 0.599 1.00 0.00 C ATOM 0 H LEU A 69 2.075 3.223 3.307 1.00 0.00 H new ATOM 0 HA LEU A 69 1.692 2.529 0.442 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.258 3.447 1.027 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.419 4.369 2.354 1.00 0.00 H new ATOM 0 HG LEU A 69 1.286 6.045 0.824 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.816 5.963 -1.589 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.862 4.622 -1.065 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.138 4.329 -1.397 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.835 6.957 -0.019 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.621 5.387 0.275 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.986 6.334 1.641 1.00 0.00 H new ATOM 1113 N VAL A 70 3.886 3.492 -0.072 1.00 0.00 N ATOM 1114 CA VAL A 70 5.084 4.153 -0.564 1.00 0.00 C ATOM 1115 C VAL A 70 4.931 4.428 -2.061 1.00 0.00 C ATOM 1116 O VAL A 70 4.011 3.919 -2.699 1.00 0.00 O ATOM 1117 CB VAL A 70 6.319 3.312 -0.233 1.00 0.00 C ATOM 1118 CG1 VAL A 70 6.423 2.102 -1.164 1.00 0.00 C ATOM 1119 CG2 VAL A 70 7.591 4.160 -0.291 1.00 0.00 C ATOM 0 H VAL A 70 3.729 2.558 -0.450 1.00 0.00 H new ATOM 0 HA VAL A 70 5.220 5.115 -0.069 1.00 0.00 H new ATOM 0 HB VAL A 70 6.210 2.942 0.786 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.309 1.521 -0.908 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.536 1.479 -1.052 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.499 2.443 -2.197 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.454 3.538 -0.052 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.708 4.573 -1.293 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.519 4.974 0.431 1.00 0.00 H new