USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 572 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 7 THR OG1 : rot 109:sc= 1.2 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 1.07 USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -61:sc= 0.841 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc=-0.00483 USER MOD Single : A 25 ASN : amide:sc= 0.854 K(o=0.85,f=-3.5!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -163:sc= 1.74 (180deg=1.43) USER MOD Single : A 31 GLN : amide:sc= -0.422 K(o=-0.42,f=-1.8) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.026 X(o=-0.026,f=-0.13) USER MOD Single : A 41 GLN : amide:sc= 0.0213 X(o=0.021,f=-0.012) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.00677 K(o=-0.0068,f=-0.96) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= -0.528 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0501 X(o=-0.05,f=-0.05) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc=-0.000841 X(o=-0.00084,f=-0.025) USER MOD ----------------------------------------------------------------- ATOM 18 N GLN A 2 8.913 -8.765 -2.517 1.00 0.00 N ATOM 19 CA GLN A 2 7.488 -8.492 -2.489 1.00 0.00 C ATOM 20 C GLN A 2 7.109 -7.958 -1.117 1.00 0.00 C ATOM 21 O GLN A 2 7.928 -7.960 -0.201 1.00 0.00 O ATOM 22 CB GLN A 2 6.710 -9.773 -2.794 1.00 0.00 C ATOM 23 CG GLN A 2 6.777 -10.104 -4.285 1.00 0.00 C ATOM 24 CD GLN A 2 6.022 -11.393 -4.585 1.00 0.00 C ATOM 25 OE1 GLN A 2 6.161 -12.378 -3.864 1.00 0.00 O ATOM 26 NE2 GLN A 2 5.209 -11.384 -5.642 1.00 0.00 N ATOM 0 HA GLN A 2 7.240 -7.747 -3.245 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.120 -10.600 -2.214 1.00 0.00 H new ATOM 0 HB3 GLN A 2 5.670 -9.654 -2.489 1.00 0.00 H new ATOM 0 HG2 GLN A 2 6.352 -9.284 -4.864 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.817 -10.206 -4.594 1.00 0.00 H new ATOM 0 HE21 GLN A 2 5.124 -10.543 -6.213 1.00 0.00 H new ATOM 0 HE22 GLN A 2 4.672 -12.218 -5.879 1.00 0.00 H new ATOM 35 N ILE A 3 5.857 -7.524 -0.972 1.00 0.00 N ATOM 36 CA ILE A 3 5.318 -7.109 0.310 1.00 0.00 C ATOM 37 C ILE A 3 3.865 -7.562 0.391 1.00 0.00 C ATOM 38 O ILE A 3 3.334 -8.112 -0.572 1.00 0.00 O ATOM 39 CB ILE A 3 5.453 -5.593 0.480 1.00 0.00 C ATOM 40 CG1 ILE A 3 4.779 -4.874 -0.689 1.00 0.00 C ATOM 41 CG2 ILE A 3 6.937 -5.229 0.540 1.00 0.00 C ATOM 42 CD1 ILE A 3 4.787 -3.359 -0.478 1.00 0.00 C ATOM 0 H ILE A 3 5.193 -7.453 -1.743 1.00 0.00 H new ATOM 0 HA ILE A 3 5.877 -7.570 1.124 1.00 0.00 H new ATOM 0 HB ILE A 3 4.965 -5.282 1.404 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.295 -5.118 -1.617 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.752 -5.225 -0.793 1.00 0.00 H new ATOM 0 HG21 ILE A 3 7.043 -4.151 0.661 1.00 0.00 H new ATOM 0 HG22 ILE A 3 7.402 -5.736 1.385 1.00 0.00 H new ATOM 0 HG23 ILE A 3 7.426 -5.540 -0.383 1.00 0.00 H new ATOM 0 HD11 ILE A 3 4.302 -2.871 -1.323 1.00 0.00 H new ATOM 0 HD12 ILE A 3 4.249 -3.116 0.438 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.816 -3.008 -0.398 1.00 0.00 H new ATOM 54 N PHE A 4 3.222 -7.342 1.539 1.00 0.00 N ATOM 55 CA PHE A 4 1.861 -7.800 1.741 1.00 0.00 C ATOM 56 C PHE A 4 1.000 -6.659 2.260 1.00 0.00 C ATOM 57 O PHE A 4 1.195 -6.189 3.379 1.00 0.00 O ATOM 58 CB PHE A 4 1.863 -8.969 2.722 1.00 0.00 C ATOM 59 CG PHE A 4 2.569 -10.196 2.192 1.00 0.00 C ATOM 60 CD1 PHE A 4 1.842 -11.194 1.529 1.00 0.00 C ATOM 61 CD2 PHE A 4 3.950 -10.342 2.375 1.00 0.00 C ATOM 62 CE1 PHE A 4 2.495 -12.339 1.055 1.00 0.00 C ATOM 63 CE2 PHE A 4 4.604 -11.483 1.895 1.00 0.00 C ATOM 64 CZ PHE A 4 3.876 -12.482 1.236 1.00 0.00 C ATOM 0 H PHE A 4 3.627 -6.851 2.336 1.00 0.00 H new ATOM 0 HA PHE A 4 1.442 -8.137 0.793 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.343 -8.655 3.649 1.00 0.00 H new ATOM 0 HB3 PHE A 4 0.833 -9.229 2.968 1.00 0.00 H new ATOM 0 HD1 PHE A 4 0.778 -11.080 1.383 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.511 -9.574 2.887 1.00 0.00 H new ATOM 0 HE1 PHE A 4 1.933 -13.111 0.550 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.670 -11.593 2.033 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.380 -13.363 0.867 1.00 0.00 H new ATOM 74 N VAL A 5 0.062 -6.194 1.432 1.00 0.00 N ATOM 75 CA VAL A 5 -0.845 -5.132 1.821 1.00 0.00 C ATOM 76 C VAL A 5 -2.139 -5.757 2.321 1.00 0.00 C ATOM 77 O VAL A 5 -2.771 -6.530 1.604 1.00 0.00 O ATOM 78 CB VAL A 5 -1.115 -4.220 0.623 1.00 0.00 C ATOM 79 CG1 VAL A 5 -2.045 -3.085 1.047 1.00 0.00 C ATOM 80 CG2 VAL A 5 0.196 -3.627 0.109 1.00 0.00 C ATOM 0 H VAL A 5 -0.083 -6.544 0.485 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.404 -4.531 2.616 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.581 -4.805 -0.170 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.238 -2.435 0.194 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.986 -3.501 1.406 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.575 -2.508 1.844 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.007 -2.979 -0.744 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.668 -3.046 0.901 1.00 0.00 H new ATOM 0 HG23 VAL A 5 0.864 -4.432 -0.198 1.00 0.00 H new ATOM 90 N LYS A 6 -2.527 -5.436 3.556 1.00 0.00 N ATOM 91 CA LYS A 6 -3.725 -5.999 4.147 1.00 0.00 C ATOM 92 C LYS A 6 -4.822 -4.945 4.177 1.00 0.00 C ATOM 93 O LYS A 6 -4.699 -3.939 4.873 1.00 0.00 O ATOM 94 CB LYS A 6 -3.401 -6.501 5.553 1.00 0.00 C ATOM 95 CG LYS A 6 -4.601 -7.248 6.129 1.00 0.00 C ATOM 96 CD LYS A 6 -4.272 -7.708 7.546 1.00 0.00 C ATOM 97 CE LYS A 6 -5.484 -8.411 8.150 1.00 0.00 C ATOM 98 NZ LYS A 6 -5.221 -8.822 9.538 1.00 0.00 N ATOM 0 H LYS A 6 -2.023 -4.788 4.161 1.00 0.00 H new ATOM 0 HA LYS A 6 -4.080 -6.840 3.552 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.533 -7.159 5.522 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.141 -5.661 6.197 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.478 -6.600 6.138 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.845 -8.106 5.503 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.417 -8.384 7.530 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.991 -6.853 8.161 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.346 -7.745 8.122 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.737 -9.285 7.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.061 -9.297 9.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.413 -9.476 9.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.003 -7.983 10.113 1.00 0.00 H new ATOM 112 N THR A 7 -5.876 -5.157 3.385 1.00 0.00 N ATOM 113 CA THR A 7 -6.987 -4.228 3.308 1.00 0.00 C ATOM 114 C THR A 7 -7.735 -4.196 4.636 1.00 0.00 C ATOM 115 O THR A 7 -7.464 -5.000 5.526 1.00 0.00 O ATOM 116 CB THR A 7 -7.923 -4.658 2.179 1.00 0.00 C ATOM 117 OG1 THR A 7 -8.352 -5.979 2.412 1.00 0.00 O ATOM 118 CG2 THR A 7 -7.190 -4.594 0.842 1.00 0.00 C ATOM 0 H THR A 7 -5.976 -5.976 2.785 1.00 0.00 H new ATOM 0 HA THR A 7 -6.612 -3.226 3.102 1.00 0.00 H new ATOM 0 HB THR A 7 -8.782 -3.988 2.148 1.00 0.00 H new ATOM 0 HG1 THR A 7 -9.298 -5.975 2.668 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.864 -4.902 0.043 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.854 -3.573 0.660 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.328 -5.261 0.867 1.00 0.00 H new ATOM 126 N ALA A 8 -8.708 -3.288 4.755 1.00 0.00 N ATOM 127 CA ALA A 8 -9.501 -3.177 5.964 1.00 0.00 C ATOM 128 C ALA A 8 -10.446 -4.367 6.084 1.00 0.00 C ATOM 129 O ALA A 8 -10.960 -4.640 7.167 1.00 0.00 O ATOM 130 CB ALA A 8 -10.293 -1.873 5.930 1.00 0.00 C ATOM 0 H ALA A 8 -8.959 -2.623 4.024 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.841 -3.174 6.831 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.890 -1.786 6.838 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.604 -1.031 5.867 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.951 -1.869 5.061 1.00 0.00 H new ATOM 136 N THR A 9 -10.659 -5.093 4.983 1.00 0.00 N ATOM 137 CA THR A 9 -11.499 -6.277 5.006 1.00 0.00 C ATOM 138 C THR A 9 -10.712 -7.445 5.590 1.00 0.00 C ATOM 139 O THR A 9 -11.278 -8.499 5.871 1.00 0.00 O ATOM 140 CB THR A 9 -11.984 -6.599 3.592 1.00 0.00 C ATOM 141 OG1 THR A 9 -10.879 -6.778 2.736 1.00 0.00 O ATOM 142 CG2 THR A 9 -12.846 -5.451 3.070 1.00 0.00 C ATOM 0 H THR A 9 -10.259 -4.876 4.070 1.00 0.00 H new ATOM 0 HA THR A 9 -12.373 -6.096 5.632 1.00 0.00 H new ATOM 0 HB THR A 9 -12.573 -7.516 3.619 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.196 -6.985 1.832 1.00 0.00 H new ATOM 0 HG21 THR A 9 -13.190 -5.683 2.062 1.00 0.00 H new ATOM 0 HG22 THR A 9 -13.707 -5.315 3.725 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.257 -4.534 3.050 1.00 0.00 H new ATOM 150 N GLY A 10 -9.416 -7.230 5.833 1.00 0.00 N ATOM 151 CA GLY A 10 -8.559 -8.230 6.438 1.00 0.00 C ATOM 152 C GLY A 10 -7.890 -9.093 5.375 1.00 0.00 C ATOM 153 O GLY A 10 -7.054 -9.933 5.703 1.00 0.00 O ATOM 0 H GLY A 10 -8.940 -6.355 5.613 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.798 -7.741 7.046 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.146 -8.860 7.107 1.00 0.00 H new ATOM 157 N LYS A 11 -8.256 -8.901 4.105 1.00 0.00 N ATOM 158 CA LYS A 11 -7.672 -9.674 3.025 1.00 0.00 C ATOM 159 C LYS A 11 -6.240 -9.220 2.777 1.00 0.00 C ATOM 160 O LYS A 11 -5.982 -8.028 2.618 1.00 0.00 O ATOM 161 CB LYS A 11 -8.509 -9.510 1.759 1.00 0.00 C ATOM 162 CG LYS A 11 -9.870 -10.174 1.956 1.00 0.00 C ATOM 163 CD LYS A 11 -10.628 -10.196 0.631 1.00 0.00 C ATOM 164 CE LYS A 11 -11.910 -11.009 0.793 1.00 0.00 C ATOM 165 NZ LYS A 11 -12.604 -11.169 -0.496 1.00 0.00 N ATOM 0 H LYS A 11 -8.952 -8.217 3.808 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.660 -10.728 3.303 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.639 -8.452 1.531 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.994 -9.958 0.909 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.739 -11.190 2.328 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.445 -9.631 2.706 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.866 -9.179 0.319 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.005 -10.631 -0.150 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.673 -11.990 1.206 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.570 -10.515 1.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.472 -11.725 -0.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.850 -10.233 -0.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.981 -11.662 -1.167 1.00 0.00 H new ATOM 179 N THR A 12 -5.315 -10.180 2.717 1.00 0.00 N ATOM 180 CA THR A 12 -3.920 -9.899 2.441 1.00 0.00 C ATOM 181 C THR A 12 -3.681 -9.941 0.936 1.00 0.00 C ATOM 182 O THR A 12 -4.243 -10.786 0.242 1.00 0.00 O ATOM 183 CB THR A 12 -3.050 -10.925 3.166 1.00 0.00 C ATOM 184 OG1 THR A 12 -3.470 -11.020 4.509 1.00 0.00 O ATOM 185 CG2 THR A 12 -1.585 -10.497 3.117 1.00 0.00 C ATOM 0 H THR A 12 -5.519 -11.169 2.859 1.00 0.00 H new ATOM 0 HA THR A 12 -3.657 -8.904 2.800 1.00 0.00 H new ATOM 0 HB THR A 12 -3.151 -11.894 2.678 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.917 -11.678 4.979 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.973 -11.234 3.636 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.262 -10.424 2.079 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.473 -9.527 3.601 1.00 0.00 H new ATOM 193 N ILE A 13 -2.854 -9.023 0.431 1.00 0.00 N ATOM 194 CA ILE A 13 -2.570 -8.935 -0.989 1.00 0.00 C ATOM 195 C ILE A 13 -1.065 -8.935 -1.225 1.00 0.00 C ATOM 196 O ILE A 13 -0.382 -7.974 -0.876 1.00 0.00 O ATOM 197 CB ILE A 13 -3.210 -7.669 -1.567 1.00 0.00 C ATOM 198 CG1 ILE A 13 -4.695 -7.614 -1.199 1.00 0.00 C ATOM 199 CG2 ILE A 13 -3.040 -7.668 -3.086 1.00 0.00 C ATOM 200 CD1 ILE A 13 -5.323 -6.322 -1.720 1.00 0.00 C ATOM 0 H ILE A 13 -2.369 -8.327 0.997 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.994 -9.802 -1.495 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.719 -6.790 -1.149 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.213 -8.475 -1.622 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.811 -7.672 -0.117 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.494 -6.769 -3.502 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.979 -7.687 -3.333 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.526 -8.548 -3.507 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.379 -6.297 -1.451 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.815 -5.466 -1.276 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.224 -6.281 -2.805 1.00 0.00 H new ATOM 212 N THR A 14 -0.550 -10.011 -1.827 1.00 0.00 N ATOM 213 CA THR A 14 0.851 -10.085 -2.195 1.00 0.00 C ATOM 214 C THR A 14 1.100 -9.099 -3.327 1.00 0.00 C ATOM 215 O THR A 14 0.484 -9.206 -4.386 1.00 0.00 O ATOM 216 CB THR A 14 1.188 -11.509 -2.635 1.00 0.00 C ATOM 217 OG1 THR A 14 0.773 -12.421 -1.642 1.00 0.00 O ATOM 218 CG2 THR A 14 2.694 -11.645 -2.854 1.00 0.00 C ATOM 0 H THR A 14 -1.092 -10.841 -2.067 1.00 0.00 H new ATOM 0 HA THR A 14 1.486 -9.831 -1.346 1.00 0.00 H new ATOM 0 HB THR A 14 0.670 -11.725 -3.569 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.252 -12.236 -0.807 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.926 -12.663 -3.167 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.014 -10.946 -3.627 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.218 -11.423 -1.924 1.00 0.00 H new ATOM 226 N LEU A 15 1.949 -8.100 -3.081 1.00 0.00 N ATOM 227 CA LEU A 15 2.175 -7.036 -4.040 1.00 0.00 C ATOM 228 C LEU A 15 3.655 -6.915 -4.388 1.00 0.00 C ATOM 229 O LEU A 15 4.516 -7.328 -3.613 1.00 0.00 O ATOM 230 CB LEU A 15 1.638 -5.733 -3.449 1.00 0.00 C ATOM 231 CG LEU A 15 1.321 -4.713 -4.541 1.00 0.00 C ATOM 232 CD1 LEU A 15 0.124 -5.178 -5.371 1.00 0.00 C ATOM 233 CD2 LEU A 15 0.989 -3.380 -3.876 1.00 0.00 C ATOM 0 H LEU A 15 2.490 -8.012 -2.220 1.00 0.00 H new ATOM 0 HA LEU A 15 1.650 -7.261 -4.969 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.738 -5.939 -2.869 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.372 -5.315 -2.761 1.00 0.00 H new ATOM 0 HG LEU A 15 2.182 -4.606 -5.201 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.090 -4.441 -6.145 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.354 -6.137 -5.836 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.746 -5.288 -4.724 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.760 -2.639 -4.641 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.126 -3.505 -3.222 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.844 -3.043 -3.289 1.00 0.00 H new ATOM 245 N GLU A 16 3.942 -6.314 -5.546 1.00 0.00 N ATOM 246 CA GLU A 16 5.299 -6.044 -5.982 1.00 0.00 C ATOM 247 C GLU A 16 5.369 -4.631 -6.550 1.00 0.00 C ATOM 248 O GLU A 16 4.673 -4.318 -7.515 1.00 0.00 O ATOM 249 CB GLU A 16 5.721 -7.079 -7.021 1.00 0.00 C ATOM 250 CG GLU A 16 7.175 -6.838 -7.424 1.00 0.00 C ATOM 251 CD GLU A 16 7.648 -7.876 -8.434 1.00 0.00 C ATOM 252 OE1 GLU A 16 6.947 -8.902 -8.573 1.00 0.00 O ATOM 253 OE2 GLU A 16 8.729 -7.647 -9.019 1.00 0.00 O ATOM 0 H GLU A 16 3.229 -6.002 -6.206 1.00 0.00 H new ATOM 0 HA GLU A 16 5.986 -6.114 -5.138 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.608 -8.084 -6.615 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.075 -7.014 -7.897 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.276 -5.840 -7.850 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.811 -6.872 -6.539 1.00 0.00 H new ATOM 260 N VAL A 17 6.193 -3.772 -5.944 1.00 0.00 N ATOM 261 CA VAL A 17 6.297 -2.383 -6.361 1.00 0.00 C ATOM 262 C VAL A 17 7.746 -2.018 -6.647 1.00 0.00 C ATOM 263 O VAL A 17 8.665 -2.717 -6.221 1.00 0.00 O ATOM 264 CB VAL A 17 5.744 -1.478 -5.256 1.00 0.00 C ATOM 265 CG1 VAL A 17 4.243 -1.704 -5.092 1.00 0.00 C ATOM 266 CG2 VAL A 17 6.459 -1.776 -3.938 1.00 0.00 C ATOM 0 H VAL A 17 6.797 -4.021 -5.161 1.00 0.00 H new ATOM 0 HA VAL A 17 5.718 -2.244 -7.274 1.00 0.00 H new ATOM 0 HB VAL A 17 5.916 -0.438 -5.532 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.861 -1.055 -4.304 1.00 0.00 H new ATOM 0 HG12 VAL A 17 3.736 -1.474 -6.029 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.059 -2.745 -4.826 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.062 -1.130 -3.155 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.298 -2.819 -3.664 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.527 -1.592 -4.054 1.00 0.00 H new ATOM 276 N GLU A 18 7.944 -0.880 -7.316 1.00 0.00 N ATOM 277 CA GLU A 18 9.266 -0.334 -7.542 1.00 0.00 C ATOM 278 C GLU A 18 9.648 0.489 -6.315 1.00 0.00 C ATOM 279 O GLU A 18 8.880 1.348 -5.887 1.00 0.00 O ATOM 280 CB GLU A 18 9.252 0.539 -8.797 1.00 0.00 C ATOM 281 CG GLU A 18 9.106 -0.322 -10.055 1.00 0.00 C ATOM 282 CD GLU A 18 7.742 -1.002 -10.123 1.00 0.00 C ATOM 283 OE1 GLU A 18 7.738 -2.251 -10.171 1.00 0.00 O ATOM 284 OE2 GLU A 18 6.754 -0.271 -10.350 1.00 0.00 O ATOM 0 H GLU A 18 7.189 -0.319 -7.712 1.00 0.00 H new ATOM 0 HA GLU A 18 9.995 -1.130 -7.693 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.429 1.252 -8.741 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.173 1.119 -8.852 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.246 0.300 -10.939 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.890 -1.079 -10.070 1.00 0.00 H new ATOM 291 N PRO A 19 10.819 0.220 -5.728 1.00 0.00 N ATOM 292 CA PRO A 19 11.255 0.833 -4.489 1.00 0.00 C ATOM 293 C PRO A 19 11.580 2.315 -4.667 1.00 0.00 C ATOM 294 O PRO A 19 11.609 3.057 -3.689 1.00 0.00 O ATOM 295 CB PRO A 19 12.492 0.046 -4.053 1.00 0.00 C ATOM 296 CG PRO A 19 13.009 -0.603 -5.339 1.00 0.00 C ATOM 297 CD PRO A 19 11.758 -0.777 -6.197 1.00 0.00 C ATOM 0 HA PRO A 19 10.466 0.797 -3.738 1.00 0.00 H new ATOM 0 HB2 PRO A 19 13.242 0.701 -3.610 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.241 -0.704 -3.303 1.00 0.00 H new ATOM 0 HG2 PRO A 19 13.748 0.027 -5.834 1.00 0.00 H new ATOM 0 HG3 PRO A 19 13.490 -1.560 -5.137 1.00 0.00 H new ATOM 0 HD2 PRO A 19 11.985 -0.635 -7.254 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.348 -1.781 -6.092 1.00 0.00 H new ATOM 305 N SER A 20 11.839 2.743 -5.905 1.00 0.00 N ATOM 306 CA SER A 20 12.262 4.107 -6.176 1.00 0.00 C ATOM 307 C SER A 20 11.161 4.890 -6.884 1.00 0.00 C ATOM 308 O SER A 20 11.435 5.915 -7.504 1.00 0.00 O ATOM 309 CB SER A 20 13.531 4.079 -7.025 1.00 0.00 C ATOM 310 OG SER A 20 14.527 3.333 -6.359 1.00 0.00 O ATOM 0 H SER A 20 11.761 2.156 -6.736 1.00 0.00 H new ATOM 0 HA SER A 20 12.468 4.610 -5.231 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.320 3.636 -7.999 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.883 5.095 -7.206 1.00 0.00 H new ATOM 0 HG SER A 20 15.341 3.314 -6.905 1.00 0.00 H new ATOM 316 N ASP A 21 9.924 4.390 -6.825 1.00 0.00 N ATOM 317 CA ASP A 21 8.816 5.023 -7.520 1.00 0.00 C ATOM 318 C ASP A 21 7.901 5.733 -6.526 1.00 0.00 C ATOM 319 O ASP A 21 6.861 6.259 -6.918 1.00 0.00 O ATOM 320 CB ASP A 21 8.046 3.973 -8.315 1.00 0.00 C ATOM 321 CG ASP A 21 8.705 3.711 -9.665 1.00 0.00 C ATOM 322 OD1 ASP A 21 7.973 3.261 -10.573 1.00 0.00 O ATOM 323 OD2 ASP A 21 9.944 3.863 -9.734 1.00 0.00 O ATOM 0 H ASP A 21 9.672 3.551 -6.303 1.00 0.00 H new ATOM 0 HA ASP A 21 9.204 5.771 -8.211 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.997 3.045 -7.745 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.020 4.308 -8.467 1.00 0.00 H new ATOM 328 N THR A 22 8.289 5.748 -5.246 1.00 0.00 N ATOM 329 CA THR A 22 7.557 6.442 -4.194 1.00 0.00 C ATOM 330 C THR A 22 6.342 5.623 -3.757 1.00 0.00 C ATOM 331 O THR A 22 5.913 4.714 -4.463 1.00 0.00 O ATOM 332 CB THR A 22 7.149 7.838 -4.682 1.00 0.00 C ATOM 333 OG1 THR A 22 8.276 8.490 -5.225 1.00 0.00 O ATOM 334 CG2 THR A 22 6.605 8.678 -3.529 1.00 0.00 C ATOM 0 H THR A 22 9.128 5.273 -4.914 1.00 0.00 H new ATOM 0 HA THR A 22 8.202 6.560 -3.323 1.00 0.00 H new ATOM 0 HB THR A 22 6.371 7.726 -5.438 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.018 9.382 -5.539 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.322 9.664 -3.899 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.731 8.186 -3.101 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.373 8.785 -2.763 1.00 0.00 H new ATOM 342 N ILE A 23 5.791 5.951 -2.583 1.00 0.00 N ATOM 343 CA ILE A 23 4.631 5.271 -2.027 1.00 0.00 C ATOM 344 C ILE A 23 3.490 5.244 -3.041 1.00 0.00 C ATOM 345 O ILE A 23 2.652 4.346 -3.005 1.00 0.00 O ATOM 346 CB ILE A 23 4.197 5.994 -0.747 1.00 0.00 C ATOM 347 CG1 ILE A 23 5.257 5.823 0.346 1.00 0.00 C ATOM 348 CG2 ILE A 23 2.853 5.453 -0.255 1.00 0.00 C ATOM 349 CD1 ILE A 23 5.318 4.378 0.841 1.00 0.00 C ATOM 0 H ILE A 23 6.146 6.703 -1.992 1.00 0.00 H new ATOM 0 HA ILE A 23 4.892 4.240 -1.791 1.00 0.00 H new ATOM 0 HB ILE A 23 4.088 7.055 -0.973 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.232 6.118 -0.041 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.031 6.486 1.181 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.561 5.978 0.655 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.095 5.608 -1.023 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.944 4.387 -0.045 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.080 4.291 1.616 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.349 4.093 1.251 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.569 3.719 0.010 1.00 0.00 H new ATOM 361 N GLU A 24 3.445 6.237 -3.932 1.00 0.00 N ATOM 362 CA GLU A 24 2.388 6.336 -4.922 1.00 0.00 C ATOM 363 C GLU A 24 2.313 5.062 -5.758 1.00 0.00 C ATOM 364 O GLU A 24 1.234 4.677 -6.207 1.00 0.00 O ATOM 365 CB GLU A 24 2.644 7.555 -5.806 1.00 0.00 C ATOM 366 CG GLU A 24 1.465 8.516 -5.690 1.00 0.00 C ATOM 367 CD GLU A 24 1.735 9.808 -6.449 1.00 0.00 C ATOM 368 OE1 GLU A 24 1.759 10.863 -5.780 1.00 0.00 O ATOM 369 OE2 GLU A 24 1.865 9.725 -7.689 1.00 0.00 O ATOM 0 H GLU A 24 4.137 6.985 -3.982 1.00 0.00 H new ATOM 0 HA GLU A 24 1.429 6.455 -4.418 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.565 8.052 -5.502 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.776 7.246 -6.843 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.565 8.042 -6.082 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.276 8.740 -4.640 1.00 0.00 H new ATOM 376 N ASN A 25 3.453 4.392 -5.940 1.00 0.00 N ATOM 377 CA ASN A 25 3.519 3.177 -6.729 1.00 0.00 C ATOM 378 C ASN A 25 2.810 2.033 -6.014 1.00 0.00 C ATOM 379 O ASN A 25 2.245 1.154 -6.661 1.00 0.00 O ATOM 380 CB ASN A 25 4.986 2.824 -6.964 1.00 0.00 C ATOM 381 CG ASN A 25 5.131 1.660 -7.936 1.00 0.00 C ATOM 382 OD1 ASN A 25 4.869 0.514 -7.579 1.00 0.00 O ATOM 383 ND2 ASN A 25 5.621 1.944 -9.143 1.00 0.00 N ATOM 0 H ASN A 25 4.347 4.681 -5.544 1.00 0.00 H new ATOM 0 HA ASN A 25 3.019 3.337 -7.684 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.513 3.694 -7.356 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.456 2.568 -6.015 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.793 1.194 -9.813 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.824 2.911 -9.396 1.00 0.00 H new ATOM 390 N VAL A 26 2.803 2.060 -4.679 1.00 0.00 N ATOM 391 CA VAL A 26 2.197 0.990 -3.909 1.00 0.00 C ATOM 392 C VAL A 26 0.690 0.996 -4.121 1.00 0.00 C ATOM 393 O VAL A 26 0.062 -0.060 -4.146 1.00 0.00 O ATOM 394 CB VAL A 26 2.532 1.172 -2.427 1.00 0.00 C ATOM 395 CG1 VAL A 26 1.951 0.014 -1.618 1.00 0.00 C ATOM 396 CG2 VAL A 26 4.046 1.210 -2.233 1.00 0.00 C ATOM 0 H VAL A 26 3.209 2.809 -4.119 1.00 0.00 H new ATOM 0 HA VAL A 26 2.592 0.030 -4.242 1.00 0.00 H new ATOM 0 HB VAL A 26 2.099 2.112 -2.083 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.193 0.149 -0.564 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.868 -0.009 -1.742 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.377 -0.926 -1.970 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.274 1.340 -1.175 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.482 0.275 -2.586 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.465 2.042 -2.799 1.00 0.00 H new ATOM 406 N LYS A 27 0.115 2.183 -4.319 1.00 0.00 N ATOM 407 CA LYS A 27 -1.310 2.306 -4.554 1.00 0.00 C ATOM 408 C LYS A 27 -1.623 2.011 -6.016 1.00 0.00 C ATOM 409 O LYS A 27 -2.730 1.584 -6.338 1.00 0.00 O ATOM 410 CB LYS A 27 -1.769 3.715 -4.177 1.00 0.00 C ATOM 411 CG LYS A 27 -1.507 3.954 -2.689 1.00 0.00 C ATOM 412 CD LYS A 27 -2.066 5.310 -2.255 1.00 0.00 C ATOM 413 CE LYS A 27 -1.363 6.436 -3.010 1.00 0.00 C ATOM 414 NZ LYS A 27 -1.824 7.755 -2.545 1.00 0.00 N ATOM 0 H LYS A 27 0.621 3.069 -4.320 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.846 1.585 -3.936 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.237 4.455 -4.775 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.830 3.834 -4.394 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.967 3.160 -2.101 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.436 3.916 -2.492 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.138 5.348 -2.447 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.929 5.441 -1.182 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.285 6.354 -2.870 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.554 6.336 -4.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.330 8.502 -3.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.849 7.839 -2.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.619 7.857 -1.531 1.00 0.00 H new ATOM 428 N ALA A 28 -0.648 2.235 -6.902 1.00 0.00 N ATOM 429 CA ALA A 28 -0.850 2.040 -8.325 1.00 0.00 C ATOM 430 C ALA A 28 -0.869 0.557 -8.679 1.00 0.00 C ATOM 431 O ALA A 28 -1.653 0.136 -9.527 1.00 0.00 O ATOM 432 CB ALA A 28 0.264 2.751 -9.090 1.00 0.00 C ATOM 0 H ALA A 28 0.288 2.552 -6.650 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.816 2.460 -8.605 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.118 2.608 -10.161 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.241 3.816 -8.859 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.229 2.337 -8.797 1.00 0.00 H new ATOM 438 N LYS A 29 -0.047 -0.248 -8.000 1.00 0.00 N ATOM 439 CA LYS A 29 0.013 -1.673 -8.280 1.00 0.00 C ATOM 440 C LYS A 29 -1.255 -2.357 -7.783 1.00 0.00 C ATOM 441 O LYS A 29 -1.586 -3.451 -8.237 1.00 0.00 O ATOM 442 CB LYS A 29 1.239 -2.279 -7.598 1.00 0.00 C ATOM 443 CG LYS A 29 2.533 -1.768 -8.234 1.00 0.00 C ATOM 444 CD LYS A 29 2.716 -2.349 -9.635 1.00 0.00 C ATOM 445 CE LYS A 29 4.091 -1.944 -10.165 1.00 0.00 C ATOM 446 NZ LYS A 29 5.019 -3.088 -10.166 1.00 0.00 N ATOM 0 H LYS A 29 0.579 0.066 -7.259 1.00 0.00 H new ATOM 0 HA LYS A 29 0.092 -1.824 -9.357 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.229 -2.030 -6.537 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.199 -3.366 -7.671 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.512 -0.679 -8.287 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.383 -2.041 -7.609 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.628 -3.435 -9.607 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.933 -1.983 -10.300 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.992 -1.551 -11.177 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.499 -1.142 -9.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.996 -2.742 -10.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.914 -3.621 -9.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.803 -3.710 -10.971 1.00 0.00 H new ATOM 460 N ILE A 30 -1.978 -1.710 -6.866 1.00 0.00 N ATOM 461 CA ILE A 30 -3.209 -2.268 -6.340 1.00 0.00 C ATOM 462 C ILE A 30 -4.381 -1.823 -7.205 1.00 0.00 C ATOM 463 O ILE A 30 -5.425 -2.469 -7.209 1.00 0.00 O ATOM 464 CB ILE A 30 -3.395 -1.810 -4.891 1.00 0.00 C ATOM 465 CG1 ILE A 30 -2.278 -2.396 -4.027 1.00 0.00 C ATOM 466 CG2 ILE A 30 -4.742 -2.292 -4.353 1.00 0.00 C ATOM 467 CD1 ILE A 30 -2.330 -1.795 -2.624 1.00 0.00 C ATOM 0 H ILE A 30 -1.726 -0.801 -6.478 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.162 -3.357 -6.358 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.363 -0.721 -4.859 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.381 -3.480 -3.971 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.309 -2.191 -4.483 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.862 -1.960 -3.322 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.546 -1.880 -4.963 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.780 -3.381 -4.390 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.530 -2.219 -2.017 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.204 -0.714 -2.686 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.293 -2.022 -2.166 1.00 0.00 H new ATOM 479 N GLN A 31 -4.199 -0.748 -7.974 1.00 0.00 N ATOM 480 CA GLN A 31 -5.242 -0.275 -8.861 1.00 0.00 C ATOM 481 C GLN A 31 -5.537 -1.342 -9.908 1.00 0.00 C ATOM 482 O GLN A 31 -6.677 -1.495 -10.338 1.00 0.00 O ATOM 483 CB GLN A 31 -4.785 1.018 -9.530 1.00 0.00 C ATOM 484 CG GLN A 31 -5.892 1.553 -10.436 1.00 0.00 C ATOM 485 CD GLN A 31 -5.409 2.758 -11.228 1.00 0.00 C ATOM 486 OE1 GLN A 31 -5.937 3.857 -11.079 1.00 0.00 O ATOM 487 NE2 GLN A 31 -4.391 2.553 -12.065 1.00 0.00 N ATOM 0 H GLN A 31 -3.341 -0.197 -7.995 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.152 -0.077 -8.295 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.532 1.760 -8.773 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.882 0.837 -10.113 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.218 0.770 -11.120 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.757 1.831 -9.834 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.985 1.622 -12.155 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.019 3.327 -12.615 1.00 0.00 H new ATOM 496 N ASP A 32 -4.504 -2.086 -10.310 1.00 0.00 N ATOM 497 CA ASP A 32 -4.640 -3.126 -11.312 1.00 0.00 C ATOM 498 C ASP A 32 -5.196 -4.407 -10.699 1.00 0.00 C ATOM 499 O ASP A 32 -5.795 -5.218 -11.403 1.00 0.00 O ATOM 500 CB ASP A 32 -3.272 -3.397 -11.934 1.00 0.00 C ATOM 501 CG ASP A 32 -3.366 -4.465 -13.015 1.00 0.00 C ATOM 502 OD1 ASP A 32 -2.910 -5.597 -12.740 1.00 0.00 O ATOM 503 OD2 ASP A 32 -3.844 -4.119 -14.117 1.00 0.00 O ATOM 0 H ASP A 32 -3.557 -1.979 -9.947 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.339 -2.790 -12.078 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.874 -2.476 -12.361 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.574 -3.718 -11.161 1.00 0.00 H new ATOM 508 N LYS A 33 -4.970 -4.612 -9.397 1.00 0.00 N ATOM 509 CA LYS A 33 -5.335 -5.865 -8.760 1.00 0.00 C ATOM 510 C LYS A 33 -6.680 -5.756 -8.048 1.00 0.00 C ATOM 511 O LYS A 33 -7.533 -6.626 -8.206 1.00 0.00 O ATOM 512 CB LYS A 33 -4.229 -6.271 -7.785 1.00 0.00 C ATOM 513 CG LYS A 33 -4.441 -7.707 -7.303 1.00 0.00 C ATOM 514 CD LYS A 33 -4.316 -8.681 -8.475 1.00 0.00 C ATOM 515 CE LYS A 33 -4.450 -10.114 -7.967 1.00 0.00 C ATOM 516 NZ LYS A 33 -4.380 -11.078 -9.079 1.00 0.00 N ATOM 0 H LYS A 33 -4.539 -3.928 -8.775 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.442 -6.634 -9.525 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.257 -6.184 -8.271 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.221 -5.592 -6.932 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.707 -7.953 -6.536 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.425 -7.803 -6.844 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.087 -8.474 -9.217 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.354 -8.548 -8.970 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.658 -10.324 -7.249 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.397 -10.230 -7.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.474 -12.045 -8.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.151 -10.889 -9.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.466 -10.981 -9.565 1.00 0.00 H new ATOM 530 N GLU A 34 -6.856 -4.719 -7.226 1.00 0.00 N ATOM 531 CA GLU A 34 -8.088 -4.538 -6.479 1.00 0.00 C ATOM 532 C GLU A 34 -9.056 -3.664 -7.273 1.00 0.00 C ATOM 533 O GLU A 34 -10.252 -3.649 -6.994 1.00 0.00 O ATOM 534 CB GLU A 34 -7.762 -3.902 -5.126 1.00 0.00 C ATOM 535 CG GLU A 34 -8.951 -4.014 -4.171 1.00 0.00 C ATOM 536 CD GLU A 34 -9.350 -5.468 -3.953 1.00 0.00 C ATOM 537 OE1 GLU A 34 -10.545 -5.767 -4.161 1.00 0.00 O ATOM 538 OE2 GLU A 34 -8.468 -6.242 -3.521 1.00 0.00 O ATOM 0 H GLU A 34 -6.156 -3.995 -7.065 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.566 -5.503 -6.311 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.892 -4.392 -4.689 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -7.500 -2.853 -5.266 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.696 -3.557 -3.215 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.798 -3.459 -4.574 1.00 0.00 H new ATOM 545 N GLY A 35 -8.542 -2.973 -8.293 1.00 0.00 N ATOM 546 CA GLY A 35 -9.356 -2.150 -9.170 1.00 0.00 C ATOM 547 C GLY A 35 -9.636 -0.782 -8.554 1.00 0.00 C ATOM 548 O GLY A 35 -10.156 0.101 -9.233 1.00 0.00 O ATOM 0 H GLY A 35 -7.550 -2.973 -8.528 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.848 -2.022 -10.126 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.299 -2.657 -9.375 1.00 0.00 H new ATOM 552 N ILE A 36 -9.296 -0.600 -7.274 1.00 0.00 N ATOM 553 CA ILE A 36 -9.555 0.650 -6.577 1.00 0.00 C ATOM 554 C ILE A 36 -8.529 1.704 -6.986 1.00 0.00 C ATOM 555 O ILE A 36 -7.343 1.550 -6.698 1.00 0.00 O ATOM 556 CB ILE A 36 -9.490 0.411 -5.068 1.00 0.00 C ATOM 557 CG1 ILE A 36 -10.489 -0.678 -4.674 1.00 0.00 C ATOM 558 CG2 ILE A 36 -9.822 1.709 -4.332 1.00 0.00 C ATOM 559 CD1 ILE A 36 -10.344 -1.016 -3.191 1.00 0.00 C ATOM 0 H ILE A 36 -8.839 -1.311 -6.703 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.548 1.012 -6.844 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.485 0.088 -4.795 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.505 -0.341 -4.880 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.321 -1.571 -5.276 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.776 1.539 -3.256 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.102 2.479 -4.609 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.825 2.036 -4.605 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.061 -1.792 -2.923 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.333 -1.373 -2.996 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.535 -0.124 -2.594 1.00 0.00 H new ATOM 571 N PRO A 37 -8.986 2.808 -7.592 1.00 0.00 N ATOM 572 CA PRO A 37 -8.133 3.910 -7.990 1.00 0.00 C ATOM 573 C PRO A 37 -7.445 4.527 -6.775 1.00 0.00 C ATOM 574 O PRO A 37 -7.869 4.305 -5.642 1.00 0.00 O ATOM 575 CB PRO A 37 -9.056 4.932 -8.661 1.00 0.00 C ATOM 576 CG PRO A 37 -10.328 4.154 -9.002 1.00 0.00 C ATOM 577 CD PRO A 37 -10.363 3.025 -7.977 1.00 0.00 C ATOM 0 HA PRO A 37 -7.344 3.578 -8.664 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.271 5.767 -7.994 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.597 5.350 -9.557 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.213 4.786 -8.929 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.297 3.766 -10.020 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -10.973 3.296 -7.115 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.798 2.121 -8.404 1.00 0.00 H new ATOM 585 N PRO A 38 -6.443 5.381 -7.012 1.00 0.00 N ATOM 586 CA PRO A 38 -5.740 6.098 -5.970 1.00 0.00 C ATOM 587 C PRO A 38 -6.699 6.991 -5.190 1.00 0.00 C ATOM 588 O PRO A 38 -7.827 7.217 -5.623 1.00 0.00 O ATOM 589 CB PRO A 38 -4.679 6.941 -6.682 1.00 0.00 C ATOM 590 CG PRO A 38 -4.545 6.317 -8.072 1.00 0.00 C ATOM 591 CD PRO A 38 -5.893 5.647 -8.321 1.00 0.00 C ATOM 0 HA PRO A 38 -5.290 5.414 -5.251 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.983 7.986 -6.746 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.730 6.917 -6.145 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.332 7.073 -8.828 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -3.730 5.594 -8.106 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -6.552 6.295 -8.899 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.773 4.725 -8.890 1.00 0.00 H new ATOM 599 N ASP A 39 -6.226 7.526 -4.061 1.00 0.00 N ATOM 600 CA ASP A 39 -6.967 8.463 -3.226 1.00 0.00 C ATOM 601 C ASP A 39 -8.104 7.779 -2.475 1.00 0.00 C ATOM 602 O ASP A 39 -8.307 8.045 -1.293 1.00 0.00 O ATOM 603 CB ASP A 39 -7.490 9.622 -4.071 1.00 0.00 C ATOM 604 CG ASP A 39 -8.040 10.730 -3.182 1.00 0.00 C ATOM 605 OD1 ASP A 39 -9.226 11.074 -3.379 1.00 0.00 O ATOM 606 OD2 ASP A 39 -7.312 11.124 -2.245 1.00 0.00 O ATOM 0 H ASP A 39 -5.297 7.312 -3.698 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.281 8.856 -2.476 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.688 10.014 -4.696 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.271 9.266 -4.742 1.00 0.00 H new ATOM 611 N GLN A 40 -8.833 6.880 -3.141 1.00 0.00 N ATOM 612 CA GLN A 40 -9.907 6.153 -2.491 1.00 0.00 C ATOM 613 C GLN A 40 -9.316 5.232 -1.431 1.00 0.00 C ATOM 614 O GLN A 40 -10.027 4.761 -0.545 1.00 0.00 O ATOM 615 CB GLN A 40 -10.687 5.350 -3.530 1.00 0.00 C ATOM 616 CG GLN A 40 -11.483 6.298 -4.427 1.00 0.00 C ATOM 617 CD GLN A 40 -12.257 5.525 -5.488 1.00 0.00 C ATOM 618 OE1 GLN A 40 -12.938 4.550 -5.178 1.00 0.00 O ATOM 619 NE2 GLN A 40 -12.170 5.975 -6.740 1.00 0.00 N ATOM 0 H GLN A 40 -8.694 6.645 -4.124 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.592 6.851 -2.011 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.001 4.755 -4.133 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.362 4.653 -3.033 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.175 6.883 -3.821 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -10.806 7.004 -4.908 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.592 6.789 -6.951 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -12.682 5.506 -7.487 1.00 0.00 H new ATOM 628 N GLN A 41 -8.008 4.980 -1.529 1.00 0.00 N ATOM 629 CA GLN A 41 -7.295 4.145 -0.584 1.00 0.00 C ATOM 630 C GLN A 41 -6.237 4.973 0.140 1.00 0.00 C ATOM 631 O GLN A 41 -5.793 6.000 -0.371 1.00 0.00 O ATOM 632 CB GLN A 41 -6.672 2.968 -1.337 1.00 0.00 C ATOM 633 CG GLN A 41 -5.587 3.476 -2.285 1.00 0.00 C ATOM 634 CD GLN A 41 -5.059 2.353 -3.169 1.00 0.00 C ATOM 635 OE1 GLN A 41 -4.301 1.502 -2.711 1.00 0.00 O ATOM 636 NE2 GLN A 41 -5.456 2.356 -4.443 1.00 0.00 N ATOM 0 H GLN A 41 -7.419 5.355 -2.273 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.978 3.752 0.169 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.246 2.257 -0.630 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.440 2.437 -1.900 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -5.989 4.275 -2.908 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.767 3.904 -1.708 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.087 3.084 -4.779 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.129 1.631 -5.081 1.00 0.00 H new ATOM 645 N ARG A 42 -5.790 4.487 1.301 1.00 0.00 N ATOM 646 CA ARG A 42 -4.746 5.135 2.078 1.00 0.00 C ATOM 647 C ARG A 42 -3.934 4.072 2.808 1.00 0.00 C ATOM 648 O ARG A 42 -4.490 3.082 3.282 1.00 0.00 O ATOM 649 CB ARG A 42 -5.383 6.125 3.056 1.00 0.00 C ATOM 650 CG ARG A 42 -4.992 7.549 2.663 1.00 0.00 C ATOM 651 CD ARG A 42 -5.771 8.564 3.490 1.00 0.00 C ATOM 652 NE ARG A 42 -7.157 8.653 3.035 1.00 0.00 N ATOM 653 CZ ARG A 42 -7.928 9.724 3.261 1.00 0.00 C ATOM 654 NH1 ARG A 42 -7.502 10.692 4.084 1.00 0.00 N ATOM 655 NH2 ARG A 42 -9.156 9.785 2.722 1.00 0.00 N ATOM 0 H ARG A 42 -6.147 3.630 1.724 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.073 5.691 1.425 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.468 6.018 3.045 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.052 5.913 4.073 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.922 7.693 2.813 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.189 7.707 1.603 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.747 8.278 4.541 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.296 9.542 3.415 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.554 7.865 2.523 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.592 10.612 4.537 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.088 11.509 4.257 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.498 9.018 2.143 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.747 10.599 2.891 1.00 0.00 H new ATOM 669 N LEU A 43 -2.615 4.269 2.884 1.00 0.00 N ATOM 670 CA LEU A 43 -1.716 3.269 3.433 1.00 0.00 C ATOM 671 C LEU A 43 -1.232 3.684 4.816 1.00 0.00 C ATOM 672 O LEU A 43 -1.183 4.871 5.136 1.00 0.00 O ATOM 673 CB LEU A 43 -0.521 3.112 2.491 1.00 0.00 C ATOM 674 CG LEU A 43 -0.869 2.197 1.318 1.00 0.00 C ATOM 675 CD1 LEU A 43 0.235 2.283 0.268 1.00 0.00 C ATOM 676 CD2 LEU A 43 -0.975 0.749 1.795 1.00 0.00 C ATOM 0 H LEU A 43 -2.151 5.120 2.568 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.246 2.321 3.528 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.216 4.090 2.117 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.327 2.702 3.038 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.822 2.513 0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.009 1.631 -0.571 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.323 3.311 -0.084 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.181 1.968 0.708 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.223 0.105 0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.022 0.436 2.222 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.755 0.672 2.552 1.00 0.00 H new ATOM 688 N ALA A 44 -0.816 2.694 5.611 1.00 0.00 N ATOM 689 CA ALA A 44 -0.251 2.916 6.927 1.00 0.00 C ATOM 690 C ALA A 44 0.676 1.755 7.276 1.00 0.00 C ATOM 691 O ALA A 44 0.662 0.726 6.601 1.00 0.00 O ATOM 692 CB ALA A 44 -1.377 3.024 7.952 1.00 0.00 C ATOM 0 H ALA A 44 -0.866 1.710 5.348 1.00 0.00 H new ATOM 0 HA ALA A 44 0.321 3.844 6.936 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.953 3.191 8.942 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.028 3.858 7.691 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.955 2.100 7.956 1.00 0.00 H new ATOM 698 N PHE A 45 1.451 1.905 8.352 1.00 0.00 N ATOM 699 CA PHE A 45 2.349 0.864 8.820 1.00 0.00 C ATOM 700 C PHE A 45 2.392 0.874 10.340 1.00 0.00 C ATOM 701 O PHE A 45 2.918 1.811 10.936 1.00 0.00 O ATOM 702 CB PHE A 45 3.743 1.085 8.234 1.00 0.00 C ATOM 703 CG PHE A 45 4.670 -0.097 8.419 1.00 0.00 C ATOM 704 CD1 PHE A 45 5.141 -0.427 9.697 1.00 0.00 C ATOM 705 CD2 PHE A 45 5.052 -0.869 7.314 1.00 0.00 C ATOM 706 CE1 PHE A 45 5.991 -1.526 9.868 1.00 0.00 C ATOM 707 CE2 PHE A 45 5.902 -1.968 7.486 1.00 0.00 C ATOM 708 CZ PHE A 45 6.372 -2.297 8.763 1.00 0.00 C ATOM 0 H PHE A 45 1.469 2.753 8.918 1.00 0.00 H new ATOM 0 HA PHE A 45 1.988 -0.110 8.490 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.651 1.301 7.170 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.189 1.963 8.700 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.848 0.167 10.550 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.690 -0.616 6.328 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.353 -1.780 10.853 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.195 -2.562 6.633 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.028 -3.145 8.896 1.00 0.00 H new ATOM 718 N ALA A 46 1.857 -0.176 10.969 1.00 0.00 N ATOM 719 CA ALA A 46 1.803 -0.266 12.418 1.00 0.00 C ATOM 720 C ALA A 46 1.161 0.984 13.017 1.00 0.00 C ATOM 721 O ALA A 46 1.370 1.287 14.189 1.00 0.00 O ATOM 722 CB ALA A 46 3.209 -0.493 12.971 1.00 0.00 C ATOM 0 H ALA A 46 1.454 -0.979 10.486 1.00 0.00 H new ATOM 0 HA ALA A 46 1.180 -1.115 12.700 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.166 -0.560 14.058 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.614 -1.420 12.566 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.852 0.339 12.684 1.00 0.00 H new ATOM 728 N GLY A 47 0.396 1.719 12.203 1.00 0.00 N ATOM 729 CA GLY A 47 -0.321 2.897 12.656 1.00 0.00 C ATOM 730 C GLY A 47 0.356 4.176 12.178 1.00 0.00 C ATOM 731 O GLY A 47 -0.241 5.249 12.236 1.00 0.00 O ATOM 0 H GLY A 47 0.262 1.507 11.214 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.346 2.866 12.287 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.374 2.896 13.745 1.00 0.00 H new ATOM 735 N LYS A 48 1.584 4.065 11.664 1.00 0.00 N ATOM 736 CA LYS A 48 2.288 5.216 11.132 1.00 0.00 C ATOM 737 C LYS A 48 1.751 5.535 9.744 1.00 0.00 C ATOM 738 O LYS A 48 1.788 4.688 8.853 1.00 0.00 O ATOM 739 CB LYS A 48 3.789 4.925 11.081 1.00 0.00 C ATOM 740 CG LYS A 48 4.293 4.567 12.479 1.00 0.00 C ATOM 741 CD LYS A 48 5.807 4.357 12.458 1.00 0.00 C ATOM 742 CE LYS A 48 6.296 4.089 13.880 1.00 0.00 C ATOM 743 NZ LYS A 48 7.758 3.921 13.921 1.00 0.00 N ATOM 0 H LYS A 48 2.103 3.189 11.609 1.00 0.00 H new ATOM 0 HA LYS A 48 2.129 6.080 11.777 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.987 4.104 10.392 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.325 5.795 10.703 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.039 5.362 13.180 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.798 3.662 12.831 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.061 3.519 11.809 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.303 5.238 12.050 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.005 4.915 14.529 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.814 3.192 14.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.059 3.740 14.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.032 3.117 13.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.217 4.786 13.572 1.00 0.00 H new ATOM 757 N GLN A 49 1.251 6.758 9.560 1.00 0.00 N ATOM 758 CA GLN A 49 0.695 7.182 8.289 1.00 0.00 C ATOM 759 C GLN A 49 1.801 7.279 7.246 1.00 0.00 C ATOM 760 O GLN A 49 2.911 7.707 7.555 1.00 0.00 O ATOM 761 CB GLN A 49 -0.006 8.530 8.470 1.00 0.00 C ATOM 762 CG GLN A 49 0.987 9.591 8.950 1.00 0.00 C ATOM 763 CD GLN A 49 0.273 10.891 9.296 1.00 0.00 C ATOM 764 OE1 GLN A 49 -0.852 10.872 9.790 1.00 0.00 O ATOM 765 NE2 GLN A 49 0.924 12.024 9.028 1.00 0.00 N ATOM 0 H GLN A 49 1.223 7.473 10.287 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.035 6.451 7.942 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.454 8.843 7.527 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.818 8.431 9.191 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.523 9.223 9.825 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.730 9.776 8.174 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.857 11.991 8.617 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.489 12.923 9.234 1.00 0.00 H new ATOM 774 N LEU A 50 1.502 6.864 6.011 1.00 0.00 N ATOM 775 CA LEU A 50 2.465 6.936 4.928 1.00 0.00 C ATOM 776 C LEU A 50 2.234 8.212 4.131 1.00 0.00 C ATOM 777 O LEU A 50 1.127 8.748 4.124 1.00 0.00 O ATOM 778 CB LEU A 50 2.331 5.711 4.023 1.00 0.00 C ATOM 779 CG LEU A 50 2.466 4.423 4.836 1.00 0.00 C ATOM 780 CD1 LEU A 50 2.582 3.244 3.872 1.00 0.00 C ATOM 781 CD2 LEU A 50 3.707 4.462 5.722 1.00 0.00 C ATOM 0 H LEU A 50 0.597 6.476 5.745 1.00 0.00 H new ATOM 0 HA LEU A 50 3.474 6.950 5.340 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.365 5.729 3.518 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.096 5.740 3.248 1.00 0.00 H new ATOM 0 HG LEU A 50 1.588 4.318 5.474 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.679 2.318 4.439 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.690 3.195 3.248 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.460 3.376 3.240 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.779 3.534 6.289 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.595 4.577 5.100 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.636 5.304 6.411 1.00 0.00 H new ATOM 793 N GLU A 51 3.273 8.680 3.436 1.00 0.00 N ATOM 794 CA GLU A 51 3.182 9.885 2.635 1.00 0.00 C ATOM 795 C GLU A 51 4.065 9.743 1.400 1.00 0.00 C ATOM 796 O GLU A 51 5.053 9.011 1.424 1.00 0.00 O ATOM 797 CB GLU A 51 3.621 11.074 3.491 1.00 0.00 C ATOM 798 CG GLU A 51 3.330 12.389 2.774 1.00 0.00 C ATOM 799 CD GLU A 51 3.693 13.575 3.657 1.00 0.00 C ATOM 800 OE1 GLU A 51 4.716 14.224 3.350 1.00 0.00 O ATOM 801 OE2 GLU A 51 2.986 13.764 4.672 1.00 0.00 O ATOM 0 H GLU A 51 4.190 8.233 3.417 1.00 0.00 H new ATOM 0 HA GLU A 51 2.157 10.047 2.301 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.099 11.052 4.448 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.687 11.000 3.707 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.896 12.435 1.844 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.274 12.438 2.507 1.00 0.00 H new ATOM 808 N ASP A 52 3.689 10.418 0.310 1.00 0.00 N ATOM 809 CA ASP A 52 4.451 10.389 -0.926 1.00 0.00 C ATOM 810 C ASP A 52 5.540 11.456 -0.894 1.00 0.00 C ATOM 811 O ASP A 52 5.506 12.356 -0.057 1.00 0.00 O ATOM 812 CB ASP A 52 3.514 10.615 -2.110 1.00 0.00 C ATOM 813 CG ASP A 52 2.884 11.999 -2.058 1.00 0.00 C ATOM 814 OD1 ASP A 52 1.864 12.131 -1.347 1.00 0.00 O ATOM 815 OD2 ASP A 52 3.380 12.878 -2.795 1.00 0.00 O ATOM 0 H ASP A 52 2.850 10.996 0.267 1.00 0.00 H new ATOM 0 HA ASP A 52 4.927 9.415 -1.034 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.067 10.499 -3.042 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.731 9.856 -2.108 1.00 0.00 H new ATOM 820 N GLY A 53 6.511 11.349 -1.805 1.00 0.00 N ATOM 821 CA GLY A 53 7.579 12.326 -1.913 1.00 0.00 C ATOM 822 C GLY A 53 8.887 11.758 -1.381 1.00 0.00 C ATOM 823 O GLY A 53 9.903 12.449 -1.371 1.00 0.00 O ATOM 0 H GLY A 53 6.572 10.587 -2.480 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.703 12.622 -2.955 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.314 13.224 -1.355 1.00 0.00 H new ATOM 827 N ARG A 54 8.861 10.505 -0.920 1.00 0.00 N ATOM 828 CA ARG A 54 10.047 9.872 -0.379 1.00 0.00 C ATOM 829 C ARG A 54 10.139 8.435 -0.877 1.00 0.00 C ATOM 830 O ARG A 54 9.124 7.821 -1.204 1.00 0.00 O ATOM 831 CB ARG A 54 9.977 9.938 1.148 1.00 0.00 C ATOM 832 CG ARG A 54 11.226 9.332 1.784 1.00 0.00 C ATOM 833 CD ARG A 54 11.152 9.507 3.300 1.00 0.00 C ATOM 834 NE ARG A 54 12.301 8.883 3.960 1.00 0.00 N ATOM 835 CZ ARG A 54 12.658 9.143 5.226 1.00 0.00 C ATOM 836 NH1 ARG A 54 11.962 10.027 5.952 1.00 0.00 N ATOM 837 NH2 ARG A 54 13.715 8.521 5.763 1.00 0.00 N ATOM 0 H ARG A 54 8.028 9.916 -0.914 1.00 0.00 H new ATOM 0 HA ARG A 54 10.946 10.390 -0.712 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.871 10.975 1.465 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.093 9.405 1.498 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.301 8.274 1.531 1.00 0.00 H new ATOM 0 HG3 ARG A 54 12.120 9.817 1.393 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.120 10.569 3.545 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.229 9.065 3.675 1.00 0.00 H new ATOM 0 HE ARG A 54 12.859 8.215 3.428 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.159 10.504 5.542 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.235 10.224 6.915 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.248 7.850 5.209 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.988 8.718 6.726 1.00 0.00 H new ATOM 851 N THR A 55 11.359 7.895 -0.910 1.00 0.00 N ATOM 852 CA THR A 55 11.597 6.523 -1.312 1.00 0.00 C ATOM 853 C THR A 55 10.901 5.600 -0.323 1.00 0.00 C ATOM 854 O THR A 55 11.186 5.645 0.872 1.00 0.00 O ATOM 855 CB THR A 55 13.104 6.271 -1.334 1.00 0.00 C ATOM 856 OG1 THR A 55 13.733 7.214 -2.172 1.00 0.00 O ATOM 857 CG2 THR A 55 13.402 4.861 -1.837 1.00 0.00 C ATOM 0 H THR A 55 12.206 8.404 -0.657 1.00 0.00 H new ATOM 0 HA THR A 55 11.199 6.332 -2.309 1.00 0.00 H new ATOM 0 HB THR A 55 13.489 6.371 -0.319 1.00 0.00 H new ATOM 0 HG1 THR A 55 14.699 7.050 -2.182 1.00 0.00 H new ATOM 0 HG21 THR A 55 14.480 4.698 -1.846 1.00 0.00 H new ATOM 0 HG22 THR A 55 12.931 4.132 -1.178 1.00 0.00 H new ATOM 0 HG23 THR A 55 13.009 4.744 -2.847 1.00 0.00 H new ATOM 865 N LEU A 56 9.953 4.796 -0.808 1.00 0.00 N ATOM 866 CA LEU A 56 9.157 3.959 0.068 1.00 0.00 C ATOM 867 C LEU A 56 10.034 2.950 0.800 1.00 0.00 C ATOM 868 O LEU A 56 9.745 2.603 1.944 1.00 0.00 O ATOM 869 CB LEU A 56 8.066 3.261 -0.748 1.00 0.00 C ATOM 870 CG LEU A 56 8.660 2.312 -1.792 1.00 0.00 C ATOM 871 CD1 LEU A 56 8.774 0.897 -1.226 1.00 0.00 C ATOM 872 CD2 LEU A 56 7.733 2.268 -3.001 1.00 0.00 C ATOM 0 H LEU A 56 9.724 4.712 -1.799 1.00 0.00 H new ATOM 0 HA LEU A 56 8.682 4.582 0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.412 2.702 -0.078 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.449 4.009 -1.245 1.00 0.00 H new ATOM 0 HG LEU A 56 9.650 2.672 -2.070 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.198 0.236 -1.982 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.421 0.907 -0.349 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.785 0.537 -0.943 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.146 1.595 -3.752 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.751 1.910 -2.693 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.638 3.268 -3.423 1.00 0.00 H new ATOM 884 N SER A 57 11.130 2.515 0.172 1.00 0.00 N ATOM 885 CA SER A 57 12.005 1.533 0.785 1.00 0.00 C ATOM 886 C SER A 57 12.830 2.180 1.890 1.00 0.00 C ATOM 887 O SER A 57 13.347 1.488 2.765 1.00 0.00 O ATOM 888 CB SER A 57 12.916 0.926 -0.281 1.00 0.00 C ATOM 889 OG SER A 57 13.673 1.945 -0.895 1.00 0.00 O ATOM 0 H SER A 57 11.424 2.829 -0.753 1.00 0.00 H new ATOM 0 HA SER A 57 11.403 0.740 1.229 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.580 0.189 0.171 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.319 0.403 -1.028 1.00 0.00 H new ATOM 0 HG SER A 57 14.257 1.553 -1.577 1.00 0.00 H new ATOM 895 N ASP A 58 12.937 3.511 1.865 1.00 0.00 N ATOM 896 CA ASP A 58 13.662 4.246 2.885 1.00 0.00 C ATOM 897 C ASP A 58 12.709 4.710 3.978 1.00 0.00 C ATOM 898 O ASP A 58 13.146 5.123 5.050 1.00 0.00 O ATOM 899 CB ASP A 58 14.353 5.445 2.242 1.00 0.00 C ATOM 900 CG ASP A 58 15.143 6.239 3.274 1.00 0.00 C ATOM 901 OD1 ASP A 58 14.804 7.428 3.458 1.00 0.00 O ATOM 902 OD2 ASP A 58 16.071 5.643 3.864 1.00 0.00 O ATOM 0 H ASP A 58 12.525 4.098 1.140 1.00 0.00 H new ATOM 0 HA ASP A 58 14.411 3.596 3.337 1.00 0.00 H new ATOM 0 HB2 ASP A 58 15.021 5.103 1.452 1.00 0.00 H new ATOM 0 HB3 ASP A 58 13.609 6.090 1.774 1.00 0.00 H new ATOM 907 N TYR A 59 11.404 4.660 3.700 1.00 0.00 N ATOM 908 CA TYR A 59 10.410 5.158 4.627 1.00 0.00 C ATOM 909 C TYR A 59 10.142 4.128 5.721 1.00 0.00 C ATOM 910 O TYR A 59 10.518 4.339 6.872 1.00 0.00 O ATOM 911 CB TYR A 59 9.134 5.499 3.857 1.00 0.00 C ATOM 912 CG TYR A 59 8.563 6.855 4.205 1.00 0.00 C ATOM 913 CD1 TYR A 59 8.042 7.671 3.192 1.00 0.00 C ATOM 914 CD2 TYR A 59 8.574 7.304 5.533 1.00 0.00 C ATOM 915 CE1 TYR A 59 7.508 8.927 3.506 1.00 0.00 C ATOM 916 CE2 TYR A 59 8.046 8.561 5.855 1.00 0.00 C ATOM 917 CZ TYR A 59 7.507 9.376 4.840 1.00 0.00 C ATOM 918 OH TYR A 59 6.987 10.599 5.147 1.00 0.00 O ATOM 0 H TYR A 59 11.020 4.277 2.836 1.00 0.00 H new ATOM 0 HA TYR A 59 10.778 6.062 5.112 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.345 5.466 2.788 1.00 0.00 H new ATOM 0 HB3 TYR A 59 8.383 4.735 4.058 1.00 0.00 H new ATOM 0 HD1 TYR A 59 8.052 7.331 2.167 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.990 6.679 6.310 1.00 0.00 H new ATOM 0 HE1 TYR A 59 7.097 9.550 2.725 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.052 8.905 6.879 1.00 0.00 H new ATOM 0 HH TYR A 59 7.064 10.754 6.112 1.00 0.00 H new ATOM 928 N ASN A 60 9.475 3.024 5.369 1.00 0.00 N ATOM 929 CA ASN A 60 9.144 1.988 6.334 1.00 0.00 C ATOM 930 C ASN A 60 8.996 0.631 5.654 1.00 0.00 C ATOM 931 O ASN A 60 9.068 -0.398 6.323 1.00 0.00 O ATOM 932 CB ASN A 60 7.849 2.354 7.059 1.00 0.00 C ATOM 933 CG ASN A 60 8.141 3.144 8.328 1.00 0.00 C ATOM 934 OD1 ASN A 60 8.649 2.589 9.299 1.00 0.00 O ATOM 935 ND2 ASN A 60 7.780 4.427 8.338 1.00 0.00 N ATOM 0 H ASN A 60 9.156 2.831 4.419 1.00 0.00 H new ATOM 0 HA ASN A 60 9.958 1.917 7.056 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.211 2.942 6.399 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.299 1.447 7.309 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.922 4.990 9.176 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.361 4.846 7.507 1.00 0.00 H new ATOM 942 N ILE A 61 8.707 0.617 4.349 1.00 0.00 N ATOM 943 CA ILE A 61 8.524 -0.634 3.634 1.00 0.00 C ATOM 944 C ILE A 61 9.766 -1.497 3.823 1.00 0.00 C ATOM 945 O ILE A 61 10.888 -1.007 3.704 1.00 0.00 O ATOM 946 CB ILE A 61 8.271 -0.359 2.148 1.00 0.00 C ATOM 947 CG1 ILE A 61 6.808 0.024 1.921 1.00 0.00 C ATOM 948 CG2 ILE A 61 8.555 -1.626 1.340 1.00 0.00 C ATOM 949 CD1 ILE A 61 6.555 1.454 2.390 1.00 0.00 C ATOM 0 H ILE A 61 8.597 1.454 3.777 1.00 0.00 H new ATOM 0 HA ILE A 61 7.657 -1.164 4.029 1.00 0.00 H new ATOM 0 HB ILE A 61 8.923 0.456 1.833 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.561 -0.068 0.863 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.157 -0.663 2.461 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.375 -1.431 0.283 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.594 -1.923 1.483 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.899 -2.428 1.678 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.509 1.712 2.222 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.782 1.534 3.453 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.192 2.139 1.830 1.00 0.00 H new ATOM 961 N GLN A 62 9.562 -2.788 4.091 1.00 0.00 N ATOM 962 CA GLN A 62 10.659 -3.719 4.270 1.00 0.00 C ATOM 963 C GLN A 62 10.387 -4.980 3.464 1.00 0.00 C ATOM 964 O GLN A 62 9.284 -5.169 2.953 1.00 0.00 O ATOM 965 CB GLN A 62 10.823 -4.043 5.754 1.00 0.00 C ATOM 966 CG GLN A 62 11.511 -2.879 6.464 1.00 0.00 C ATOM 967 CD GLN A 62 11.728 -3.193 7.938 1.00 0.00 C ATOM 968 OE1 GLN A 62 12.451 -4.128 8.275 1.00 0.00 O ATOM 969 NE2 GLN A 62 11.103 -2.409 8.817 1.00 0.00 N ATOM 0 H GLN A 62 8.637 -3.207 4.188 1.00 0.00 H new ATOM 0 HA GLN A 62 11.587 -3.272 3.914 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.848 -4.231 6.205 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.411 -4.953 5.874 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.469 -2.672 5.987 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.905 -1.978 6.365 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.513 -1.645 8.489 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.215 -2.574 9.817 1.00 0.00 H new ATOM 978 N LYS A 63 11.402 -5.838 3.347 1.00 0.00 N ATOM 979 CA LYS A 63 11.305 -7.065 2.581 1.00 0.00 C ATOM 980 C LYS A 63 10.163 -7.932 3.097 1.00 0.00 C ATOM 981 O LYS A 63 10.149 -8.320 4.263 1.00 0.00 O ATOM 982 CB LYS A 63 12.641 -7.811 2.636 1.00 0.00 C ATOM 983 CG LYS A 63 13.102 -8.013 4.080 1.00 0.00 C ATOM 984 CD LYS A 63 14.430 -8.766 4.085 1.00 0.00 C ATOM 985 CE LYS A 63 14.908 -8.954 5.523 1.00 0.00 C ATOM 986 NZ LYS A 63 16.156 -9.733 5.567 1.00 0.00 N ATOM 0 H LYS A 63 12.312 -5.694 3.784 1.00 0.00 H new ATOM 0 HA LYS A 63 11.086 -6.823 1.541 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.541 -8.779 2.145 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.396 -7.251 2.085 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.216 -7.049 4.576 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.352 -8.572 4.639 1.00 0.00 H new ATOM 0 HD2 LYS A 63 14.312 -9.735 3.601 1.00 0.00 H new ATOM 0 HD3 LYS A 63 15.175 -8.213 3.513 1.00 0.00 H new ATOM 0 HE2 LYS A 63 15.066 -7.981 5.987 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.137 -9.462 6.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.460 -9.847 6.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 15.996 -10.670 5.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 16.896 -9.234 5.033 1.00 0.00 H new ATOM 1000 N GLU A 64 9.206 -8.235 2.215 1.00 0.00 N ATOM 1001 CA GLU A 64 8.098 -9.121 2.522 1.00 0.00 C ATOM 1002 C GLU A 64 7.494 -8.797 3.884 1.00 0.00 C ATOM 1003 O GLU A 64 7.190 -9.701 4.661 1.00 0.00 O ATOM 1004 CB GLU A 64 8.578 -10.570 2.441 1.00 0.00 C ATOM 1005 CG GLU A 64 9.015 -10.890 1.010 1.00 0.00 C ATOM 1006 CD GLU A 64 10.407 -10.340 0.717 1.00 0.00 C ATOM 1007 OE1 GLU A 64 10.484 -9.368 -0.067 1.00 0.00 O ATOM 1008 OE2 GLU A 64 11.375 -10.940 1.234 1.00 0.00 O ATOM 0 H GLU A 64 9.185 -7.866 1.264 1.00 0.00 H new ATOM 0 HA GLU A 64 7.304 -8.975 1.789 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.409 -10.727 3.129 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.779 -11.245 2.747 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.010 -11.969 0.859 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.299 -10.466 0.306 1.00 0.00 H new ATOM 1015 N SER A 65 7.285 -7.507 4.158 1.00 0.00 N ATOM 1016 CA SER A 65 6.674 -7.078 5.402 1.00 0.00 C ATOM 1017 C SER A 65 5.197 -6.774 5.179 1.00 0.00 C ATOM 1018 O SER A 65 4.731 -6.742 4.041 1.00 0.00 O ATOM 1019 CB SER A 65 7.414 -5.856 5.940 1.00 0.00 C ATOM 1020 OG SER A 65 7.271 -5.797 7.342 1.00 0.00 O ATOM 0 H SER A 65 7.534 -6.745 3.527 1.00 0.00 H new ATOM 0 HA SER A 65 6.745 -7.877 6.140 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.470 -5.911 5.674 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.017 -4.948 5.485 1.00 0.00 H new ATOM 0 HG SER A 65 7.748 -5.013 7.687 1.00 0.00 H new ATOM 1026 N THR A 66 4.458 -6.563 6.271 1.00 0.00 N ATOM 1027 CA THR A 66 3.026 -6.352 6.202 1.00 0.00 C ATOM 1028 C THR A 66 2.693 -4.872 6.339 1.00 0.00 C ATOM 1029 O THR A 66 3.196 -4.199 7.237 1.00 0.00 O ATOM 1030 CB THR A 66 2.350 -7.159 7.309 1.00 0.00 C ATOM 1031 OG1 THR A 66 2.760 -8.507 7.227 1.00 0.00 O ATOM 1032 CG2 THR A 66 0.833 -7.079 7.154 1.00 0.00 C ATOM 0 H THR A 66 4.840 -6.535 7.216 1.00 0.00 H new ATOM 0 HA THR A 66 2.658 -6.687 5.232 1.00 0.00 H new ATOM 0 HB THR A 66 2.635 -6.749 8.278 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.328 -9.024 7.938 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.355 -7.656 7.946 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.515 -6.039 7.221 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.544 -7.485 6.185 1.00 0.00 H new ATOM 1040 N LEU A 67 1.812 -4.378 5.464 1.00 0.00 N ATOM 1041 CA LEU A 67 1.328 -3.010 5.521 1.00 0.00 C ATOM 1042 C LEU A 67 -0.171 -3.021 5.797 1.00 0.00 C ATOM 1043 O LEU A 67 -0.792 -4.083 5.833 1.00 0.00 O ATOM 1044 CB LEU A 67 1.631 -2.289 4.206 1.00 0.00 C ATOM 1045 CG LEU A 67 2.988 -1.586 4.271 1.00 0.00 C ATOM 1046 CD1 LEU A 67 4.134 -2.594 4.197 1.00 0.00 C ATOM 1047 CD2 LEU A 67 3.103 -0.624 3.090 1.00 0.00 C ATOM 0 H LEU A 67 1.418 -4.923 4.697 1.00 0.00 H new ATOM 0 HA LEU A 67 1.834 -2.475 6.324 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.627 -3.005 3.384 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.848 -1.560 3.997 1.00 0.00 H new ATOM 0 HG LEU A 67 3.056 -1.050 5.218 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.086 -2.066 4.245 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.062 -3.289 5.033 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.073 -3.147 3.259 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.067 -0.117 3.126 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.021 -1.182 2.157 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.303 0.114 3.143 1.00 0.00 H new ATOM 1059 N HIS A 68 -0.754 -1.833 5.966 1.00 0.00 N ATOM 1060 CA HIS A 68 -2.168 -1.691 6.251 1.00 0.00 C ATOM 1061 C HIS A 68 -2.790 -0.701 5.277 1.00 0.00 C ATOM 1062 O HIS A 68 -2.260 0.389 5.074 1.00 0.00 O ATOM 1063 CB HIS A 68 -2.350 -1.219 7.691 1.00 0.00 C ATOM 1064 CG HIS A 68 -3.780 -0.879 8.010 1.00 0.00 C ATOM 1065 ND1 HIS A 68 -4.879 -1.638 7.696 1.00 0.00 N ATOM 1066 CD2 HIS A 68 -4.216 0.279 8.586 1.00 0.00 C ATOM 1067 CE1 HIS A 68 -5.966 -0.945 8.083 1.00 0.00 C ATOM 1068 NE2 HIS A 68 -5.614 0.233 8.636 1.00 0.00 N ATOM 0 H HIS A 68 -0.252 -0.947 5.908 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.667 -2.653 6.132 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.005 -1.997 8.371 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.724 -0.343 7.865 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -3.593 1.087 8.940 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -6.984 -1.287 7.966 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -6.239 0.945 9.014 1.00 0.00 H new ATOM 1076 N LEU A 69 -3.918 -1.083 4.675 1.00 0.00 N ATOM 1077 CA LEU A 69 -4.615 -0.234 3.728 1.00 0.00 C ATOM 1078 C LEU A 69 -6.035 0.020 4.214 1.00 0.00 C ATOM 1079 O LEU A 69 -6.668 -0.868 4.781 1.00 0.00 O ATOM 1080 CB LEU A 69 -4.612 -0.912 2.357 1.00 0.00 C ATOM 1081 CG LEU A 69 -5.263 -0.020 1.298 1.00 0.00 C ATOM 1082 CD1 LEU A 69 -4.362 1.169 0.973 1.00 0.00 C ATOM 1083 CD2 LEU A 69 -5.485 -0.832 0.025 1.00 0.00 C ATOM 0 H LEU A 69 -4.366 -1.986 4.834 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.112 0.729 3.643 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.587 -1.141 2.064 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.146 -1.860 2.416 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.213 0.347 1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.841 1.793 0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.195 1.756 1.876 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.406 0.808 0.593 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.949 -0.201 -0.733 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.527 -1.198 -0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.138 -1.678 0.242 1.00 0.00 H new ATOM 1095 N ALA A 70 -6.547 1.222 3.943 1.00 0.00 N ATOM 1096 CA ALA A 70 -7.897 1.600 4.308 1.00 0.00 C ATOM 1097 C ALA A 70 -8.604 2.117 3.065 1.00 0.00 C ATOM 1098 O ALA A 70 -7.992 2.795 2.242 1.00 0.00 O ATOM 1099 CB ALA A 70 -7.852 2.671 5.395 1.00 0.00 C ATOM 0 H ALA A 70 -6.028 1.957 3.462 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.443 0.742 4.701 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.868 2.955 5.669 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.336 2.278 6.271 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.319 3.546 5.022 1.00 0.00 H new ATOM 1105 N LEU A 71 -9.888 1.782 2.922 1.00 0.00 N ATOM 1106 CA LEU A 71 -10.659 2.161 1.753 1.00 0.00 C ATOM 1107 C LEU A 71 -11.772 3.111 2.170 1.00 0.00 C ATOM 1108 O LEU A 71 -11.929 3.406 3.354 1.00 0.00 O ATOM 1109 CB LEU A 71 -11.250 0.914 1.085 1.00 0.00 C ATOM 1110 CG LEU A 71 -10.189 0.027 0.419 1.00 0.00 C ATOM 1111 CD1 LEU A 71 -9.237 0.868 -0.428 1.00 0.00 C ATOM 1112 CD2 LEU A 71 -9.391 -0.759 1.459 1.00 0.00 C ATOM 0 H LEU A 71 -10.413 1.244 3.612 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.008 2.662 1.037 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.787 0.329 1.832 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.980 1.222 0.336 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.712 -0.680 -0.225 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.493 0.220 -0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.801 1.385 -1.204 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.736 1.600 0.206 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.648 -1.378 0.956 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.889 -0.065 2.133 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -10.066 -1.396 2.031 1.00 0.00 H new ATOM 1124 N ARG A 72 -12.544 3.593 1.193 1.00 0.00 N ATOM 1125 CA ARG A 72 -13.669 4.468 1.462 1.00 0.00 C ATOM 1126 C ARG A 72 -14.662 3.746 2.363 1.00 0.00 C ATOM 1127 O ARG A 72 -14.566 2.534 2.546 1.00 0.00 O ATOM 1128 CB ARG A 72 -14.332 4.867 0.143 1.00 0.00 C ATOM 1129 CG ARG A 72 -14.795 3.616 -0.605 1.00 0.00 C ATOM 1130 CD ARG A 72 -15.531 4.013 -1.882 1.00 0.00 C ATOM 1131 NE ARG A 72 -16.782 4.710 -1.575 1.00 0.00 N ATOM 1132 CZ ARG A 72 -17.694 5.030 -2.503 1.00 0.00 C ATOM 1133 NH1 ARG A 72 -17.468 4.737 -3.791 1.00 0.00 N ATOM 1134 NH2 ARG A 72 -18.832 5.638 -2.143 1.00 0.00 N ATOM 0 H ARG A 72 -12.402 3.385 0.204 1.00 0.00 H new ATOM 0 HA ARG A 72 -13.326 5.371 1.967 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.182 5.521 0.336 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -13.630 5.430 -0.472 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -13.937 2.990 -0.850 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -15.450 3.023 0.033 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -14.893 4.655 -2.488 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -15.743 3.123 -2.475 1.00 0.00 H new ATOM 0 HE ARG A 72 -16.969 4.965 -0.605 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -16.603 4.271 -4.064 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -18.161 4.980 -4.499 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -19.005 5.858 -1.162 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -19.526 5.881 -2.850 1.00 0.00 H new