USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 587 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 22 THR OG1 : rot -56:sc= 1.04 USER MOD Set 1.2: A 25 ASN : amide:sc= 1.99 K(o=3,f=-8.3!) USER MOD Set 2.1: A 7 THR OG1 : rot -170:sc= 0.611 USER MOD Set 2.2: A 9 THR OG1 : rot -58:sc= 0.523 USER MOD Single : A 1 MET CE :methyl 163:sc= 0 (180deg=-0.194) USER MOD Single : A 1 MET N :NH3+ 163:sc= 0.98 (180deg=0.765) USER MOD Single : A 2 GLN : amide:sc= -0.77 K(o=-0.77,f=-0.031) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 148:sc= -2.34! (180deg=-2.97!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -96:sc= 1.02 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -158:sc= -0.145 (180deg=-0.86) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.482 X(o=-0.48,f=-0.0032) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.779 X(o=-0.78,f=-1.3) USER MOD Single : A 41 GLN : amide:sc= -11.1! C(o=-11!,f=-17!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0967 X(o=-0.097,f=0) USER MOD Single : A 55 THR OG1 : rot -66:sc= -1.59! USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 130:sc= 0.166 USER MOD Single : A 60 ASN : amide:sc= -3.05! C(o=-3!,f=-3!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 153:sc= -0.0298 (180deg=-0.355) USER MOD Single : A 65 SER OG : rot 89:sc= 0.47 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.293 X(o=-0.29,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.685 -19.402 -1.290 1.00 0.00 N ATOM 2 CA MET A 1 3.790 -19.369 -2.283 1.00 0.00 C ATOM 3 C MET A 1 4.518 -18.029 -2.255 1.00 0.00 C ATOM 4 O MET A 1 4.062 -17.076 -1.622 1.00 0.00 O ATOM 5 CB MET A 1 3.204 -19.621 -3.673 1.00 0.00 C ATOM 6 CG MET A 1 2.281 -18.514 -4.155 1.00 0.00 C ATOM 7 SD MET A 1 0.746 -19.147 -4.858 1.00 0.00 S ATOM 8 CE MET A 1 -0.146 -17.622 -5.151 1.00 0.00 C ATOM 0 H1 MET A 1 2.037 -20.183 -1.518 1.00 0.00 H new ATOM 0 H2 MET A 1 3.078 -19.545 -0.338 1.00 0.00 H new ATOM 0 H3 MET A 1 2.165 -18.502 -1.319 1.00 0.00 H new ATOM 0 HA MET A 1 4.517 -20.143 -2.034 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.020 -19.738 -4.386 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.654 -20.562 -3.661 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.048 -17.851 -3.321 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.799 -17.914 -4.904 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.966 -17.808 -5.845 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.546 -17.248 -4.209 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.530 -16.881 -5.578 1.00 0.00 H new ATOM 20 N GLN A 2 5.652 -17.964 -2.943 1.00 0.00 N ATOM 21 CA GLN A 2 6.444 -16.743 -2.998 1.00 0.00 C ATOM 22 C GLN A 2 5.762 -15.690 -3.865 1.00 0.00 C ATOM 23 O GLN A 2 5.215 -16.001 -4.922 1.00 0.00 O ATOM 24 CB GLN A 2 7.841 -17.043 -3.544 1.00 0.00 C ATOM 25 CG GLN A 2 8.927 -16.156 -2.959 1.00 0.00 C ATOM 26 CD GLN A 2 9.727 -16.851 -1.876 1.00 0.00 C ATOM 27 OE1 GLN A 2 10.918 -16.592 -1.704 1.00 0.00 O ATOM 28 NE2 GLN A 2 9.075 -17.741 -1.138 1.00 0.00 N ATOM 0 H GLN A 2 6.043 -18.744 -3.471 1.00 0.00 H new ATOM 0 HA GLN A 2 6.533 -16.350 -1.985 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.086 -18.085 -3.339 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.831 -16.925 -4.628 1.00 0.00 H new ATOM 0 HG2 GLN A 2 9.600 -15.839 -3.756 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.472 -15.255 -2.548 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.087 -17.925 -1.315 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.562 -18.241 -0.394 1.00 0.00 H new ATOM 37 N LEU A 3 5.800 -14.441 -3.410 1.00 0.00 N ATOM 38 CA LEU A 3 5.184 -13.343 -4.146 1.00 0.00 C ATOM 39 C LEU A 3 6.072 -12.103 -4.116 1.00 0.00 C ATOM 40 O LEU A 3 6.621 -11.745 -3.074 1.00 0.00 O ATOM 41 CB LEU A 3 3.809 -13.015 -3.559 1.00 0.00 C ATOM 42 CG LEU A 3 2.725 -14.059 -3.828 1.00 0.00 C ATOM 43 CD1 LEU A 3 1.601 -13.936 -2.811 1.00 0.00 C ATOM 44 CD2 LEU A 3 2.184 -13.912 -5.243 1.00 0.00 C ATOM 0 H LEU A 3 6.250 -14.165 -2.537 1.00 0.00 H new ATOM 0 HA LEU A 3 5.063 -13.656 -5.183 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.912 -12.889 -2.481 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.478 -12.058 -3.961 1.00 0.00 H new ATOM 0 HG LEU A 3 3.169 -15.050 -3.730 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.839 -14.687 -3.018 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.999 -14.090 -1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.158 -12.942 -2.876 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.413 -14.663 -5.418 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.756 -12.917 -5.367 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.994 -14.051 -5.959 1.00 0.00 H new ATOM 56 N PHE A 4 6.208 -11.449 -5.266 1.00 0.00 N ATOM 57 CA PHE A 4 7.029 -10.249 -5.370 1.00 0.00 C ATOM 58 C PHE A 4 6.179 -8.993 -5.209 1.00 0.00 C ATOM 59 O PHE A 4 5.106 -8.877 -5.802 1.00 0.00 O ATOM 60 CB PHE A 4 7.756 -10.217 -6.716 1.00 0.00 C ATOM 61 CG PHE A 4 8.827 -11.264 -6.844 1.00 0.00 C ATOM 62 CD1 PHE A 4 9.578 -11.647 -5.739 1.00 0.00 C ATOM 63 CD2 PHE A 4 9.084 -11.865 -8.071 1.00 0.00 C ATOM 64 CE1 PHE A 4 10.567 -12.612 -5.855 1.00 0.00 C ATOM 65 CE2 PHE A 4 10.072 -12.831 -8.194 1.00 0.00 C ATOM 66 CZ PHE A 4 10.813 -13.204 -7.084 1.00 0.00 C ATOM 0 H PHE A 4 5.760 -11.730 -6.138 1.00 0.00 H new ATOM 0 HA PHE A 4 7.766 -10.273 -4.567 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.029 -10.353 -7.516 1.00 0.00 H new ATOM 0 HB3 PHE A 4 8.203 -9.233 -6.855 1.00 0.00 H new ATOM 0 HD1 PHE A 4 9.389 -11.188 -4.780 1.00 0.00 H new ATOM 0 HD2 PHE A 4 8.508 -11.577 -8.938 1.00 0.00 H new ATOM 0 HE1 PHE A 4 11.144 -12.902 -4.990 1.00 0.00 H new ATOM 0 HE2 PHE A 4 10.263 -13.291 -9.152 1.00 0.00 H new ATOM 0 HZ PHE A 4 11.582 -13.956 -7.176 1.00 0.00 H new ATOM 76 N VAL A 5 6.666 -8.054 -4.403 1.00 0.00 N ATOM 77 CA VAL A 5 5.950 -6.807 -4.164 1.00 0.00 C ATOM 78 C VAL A 5 6.862 -5.602 -4.369 1.00 0.00 C ATOM 79 O VAL A 5 7.697 -5.292 -3.520 1.00 0.00 O ATOM 80 CB VAL A 5 5.368 -6.757 -2.739 1.00 0.00 C ATOM 81 CG1 VAL A 5 4.292 -5.688 -2.638 1.00 0.00 C ATOM 82 CG2 VAL A 5 4.819 -8.119 -2.340 1.00 0.00 C ATOM 0 H VAL A 5 7.553 -8.134 -3.905 1.00 0.00 H new ATOM 0 HA VAL A 5 5.133 -6.769 -4.884 1.00 0.00 H new ATOM 0 HB VAL A 5 6.169 -6.497 -2.047 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.893 -5.668 -1.624 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.722 -4.715 -2.878 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.489 -5.913 -3.340 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.412 -8.066 -1.330 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.031 -8.411 -3.034 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.620 -8.857 -2.369 1.00 0.00 H new ATOM 92 N LYS A 6 6.696 -4.927 -5.502 1.00 0.00 N ATOM 93 CA LYS A 6 7.505 -3.756 -5.819 1.00 0.00 C ATOM 94 C LYS A 6 6.809 -2.476 -5.371 1.00 0.00 C ATOM 95 O LYS A 6 5.580 -2.413 -5.315 1.00 0.00 O ATOM 96 CB LYS A 6 7.787 -3.698 -7.322 1.00 0.00 C ATOM 97 CG LYS A 6 6.573 -3.323 -8.154 1.00 0.00 C ATOM 98 CD LYS A 6 6.966 -2.923 -9.566 1.00 0.00 C ATOM 99 CE LYS A 6 8.120 -1.935 -9.563 1.00 0.00 C ATOM 100 NZ LYS A 6 8.301 -1.286 -10.892 1.00 0.00 N ATOM 0 H LYS A 6 6.009 -5.171 -6.215 1.00 0.00 H new ATOM 0 HA LYS A 6 8.449 -3.841 -5.281 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.581 -2.975 -7.507 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.157 -4.669 -7.652 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.883 -4.166 -8.193 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.043 -2.499 -7.676 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.247 -3.811 -10.132 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.108 -2.481 -10.072 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.941 -1.170 -8.807 1.00 0.00 H new ATOM 0 HE3 LYS A 6 9.039 -2.451 -9.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.098 -0.619 -10.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.497 -2.013 -11.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.434 -0.772 -11.148 1.00 0.00 H new ATOM 114 N THR A 7 7.600 -1.457 -5.053 1.00 0.00 N ATOM 115 CA THR A 7 7.059 -0.177 -4.609 1.00 0.00 C ATOM 116 C THR A 7 7.401 0.931 -5.598 1.00 0.00 C ATOM 117 O THR A 7 7.932 0.671 -6.678 1.00 0.00 O ATOM 118 CB THR A 7 7.599 0.177 -3.223 1.00 0.00 C ATOM 119 OG1 THR A 7 8.954 0.582 -3.301 1.00 0.00 O ATOM 120 CG2 THR A 7 7.518 -0.968 -2.237 1.00 0.00 C ATOM 0 H THR A 7 8.619 -1.492 -5.094 1.00 0.00 H new ATOM 0 HA THR A 7 5.974 -0.270 -4.555 1.00 0.00 H new ATOM 0 HB THR A 7 6.964 0.988 -2.865 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.327 0.652 -2.397 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.918 -0.648 -1.275 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.478 -1.271 -2.116 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.100 -1.811 -2.610 1.00 0.00 H new ATOM 128 N LEU A 8 7.095 2.168 -5.223 1.00 0.00 N ATOM 129 CA LEU A 8 7.370 3.317 -6.076 1.00 0.00 C ATOM 130 C LEU A 8 8.770 3.866 -5.815 1.00 0.00 C ATOM 131 O LEU A 8 9.068 5.014 -6.144 1.00 0.00 O ATOM 132 CB LEU A 8 6.328 4.413 -5.843 1.00 0.00 C ATOM 133 CG LEU A 8 5.914 5.190 -7.094 1.00 0.00 C ATOM 134 CD1 LEU A 8 5.248 4.264 -8.101 1.00 0.00 C ATOM 135 CD2 LEU A 8 4.985 6.337 -6.725 1.00 0.00 C ATOM 0 H LEU A 8 6.656 2.400 -4.332 1.00 0.00 H new ATOM 0 HA LEU A 8 7.316 2.989 -7.114 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.439 3.960 -5.404 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.722 5.117 -5.110 1.00 0.00 H new ATOM 0 HG LEU A 8 6.810 5.608 -7.553 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.960 4.834 -8.984 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.945 3.477 -8.388 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.361 3.817 -7.653 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.700 6.879 -7.627 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.092 5.941 -6.243 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.497 7.014 -6.041 1.00 0.00 H new ATOM 147 N THR A 9 9.623 3.037 -5.222 1.00 0.00 N ATOM 148 CA THR A 9 10.992 3.439 -4.917 1.00 0.00 C ATOM 149 C THR A 9 11.998 2.565 -5.660 1.00 0.00 C ATOM 150 O THR A 9 13.208 2.755 -5.537 1.00 0.00 O ATOM 151 CB THR A 9 11.245 3.357 -3.410 1.00 0.00 C ATOM 152 OG1 THR A 9 11.436 2.013 -3.007 1.00 0.00 O ATOM 153 CG2 THR A 9 10.115 3.929 -2.582 1.00 0.00 C ATOM 0 H THR A 9 9.391 2.084 -4.943 1.00 0.00 H new ATOM 0 HA THR A 9 11.122 4.470 -5.247 1.00 0.00 H new ATOM 0 HB THR A 9 12.140 3.953 -3.234 1.00 0.00 H new ATOM 0 HG1 THR A 9 10.648 1.483 -3.250 1.00 0.00 H new ATOM 0 HG21 THR A 9 10.358 3.840 -1.523 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.975 4.980 -2.835 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.197 3.380 -2.791 1.00 0.00 H new ATOM 161 N GLY A 10 11.493 1.606 -6.431 1.00 0.00 N ATOM 162 CA GLY A 10 12.366 0.720 -7.179 1.00 0.00 C ATOM 163 C GLY A 10 12.743 -0.521 -6.396 1.00 0.00 C ATOM 164 O GLY A 10 13.374 -1.433 -6.931 1.00 0.00 O ATOM 0 H GLY A 10 10.496 1.427 -6.551 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.872 0.425 -8.105 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.272 1.258 -7.458 1.00 0.00 H new ATOM 168 N LYS A 11 12.355 -0.559 -5.125 1.00 0.00 N ATOM 169 CA LYS A 11 12.656 -1.698 -4.267 1.00 0.00 C ATOM 170 C LYS A 11 11.636 -2.815 -4.466 1.00 0.00 C ATOM 171 O LYS A 11 10.437 -2.561 -4.580 1.00 0.00 O ATOM 172 CB LYS A 11 12.678 -1.267 -2.800 1.00 0.00 C ATOM 173 CG LYS A 11 13.949 -1.668 -2.068 1.00 0.00 C ATOM 174 CD LYS A 11 13.659 -2.083 -0.635 1.00 0.00 C ATOM 175 CE LYS A 11 12.754 -1.081 0.063 1.00 0.00 C ATOM 176 NZ LYS A 11 11.394 -1.637 0.304 1.00 0.00 N ATOM 0 H LYS A 11 11.831 0.187 -4.667 1.00 0.00 H new ATOM 0 HA LYS A 11 13.640 -2.077 -4.542 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.564 -0.184 -2.746 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.820 -1.704 -2.288 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.430 -2.491 -2.596 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.651 -0.834 -2.071 1.00 0.00 H new ATOM 0 HD2 LYS A 11 13.189 -3.066 -0.628 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.596 -2.174 -0.085 1.00 0.00 H new ATOM 0 HE2 LYS A 11 13.201 -0.789 1.013 1.00 0.00 H new ATOM 0 HE3 LYS A 11 12.675 -0.179 -0.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.004 -1.233 1.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.774 -1.396 -0.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.453 -2.671 0.397 1.00 0.00 H new ATOM 190 N THR A 12 12.120 -4.052 -4.506 1.00 0.00 N ATOM 191 CA THR A 12 11.249 -5.207 -4.692 1.00 0.00 C ATOM 192 C THR A 12 11.338 -6.152 -3.498 1.00 0.00 C ATOM 193 O THR A 12 12.410 -6.669 -3.181 1.00 0.00 O ATOM 194 CB THR A 12 11.621 -5.952 -5.974 1.00 0.00 C ATOM 195 OG1 THR A 12 11.773 -5.047 -7.054 1.00 0.00 O ATOM 196 CG2 THR A 12 10.596 -6.987 -6.383 1.00 0.00 C ATOM 0 H THR A 12 13.110 -4.280 -4.412 1.00 0.00 H new ATOM 0 HA THR A 12 10.223 -4.848 -4.774 1.00 0.00 H new ATOM 0 HB THR A 12 12.559 -6.461 -5.751 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.013 -5.543 -7.865 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.921 -7.479 -7.300 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.492 -7.729 -5.591 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.636 -6.500 -6.553 1.00 0.00 H new ATOM 204 N LEU A 13 10.205 -6.372 -2.839 1.00 0.00 N ATOM 205 CA LEU A 13 10.155 -7.255 -1.680 1.00 0.00 C ATOM 206 C LEU A 13 9.684 -8.651 -2.078 1.00 0.00 C ATOM 207 O LEU A 13 9.258 -8.872 -3.211 1.00 0.00 O ATOM 208 CB LEU A 13 9.225 -6.676 -0.612 1.00 0.00 C ATOM 209 CG LEU A 13 9.905 -6.308 0.708 1.00 0.00 C ATOM 210 CD1 LEU A 13 9.652 -4.849 1.051 1.00 0.00 C ATOM 211 CD2 LEU A 13 9.417 -7.214 1.828 1.00 0.00 C ATOM 0 H LEU A 13 9.310 -5.951 -3.088 1.00 0.00 H new ATOM 0 HA LEU A 13 11.162 -7.334 -1.271 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.743 -5.785 -1.016 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.436 -7.400 -0.407 1.00 0.00 H new ATOM 0 HG LEU A 13 10.980 -6.451 0.594 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.144 -4.606 1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.051 -4.215 0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.580 -4.678 1.147 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.911 -6.939 2.760 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.339 -7.103 1.942 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.651 -8.251 1.586 1.00 0.00 H new ATOM 223 N THR A 14 9.765 -9.588 -1.139 1.00 0.00 N ATOM 224 CA THR A 14 9.347 -10.962 -1.392 1.00 0.00 C ATOM 225 C THR A 14 8.721 -11.578 -0.145 1.00 0.00 C ATOM 226 O THR A 14 9.414 -11.866 0.831 1.00 0.00 O ATOM 227 CB THR A 14 10.540 -11.804 -1.848 1.00 0.00 C ATOM 228 OG1 THR A 14 11.140 -11.241 -3.001 1.00 0.00 O ATOM 229 CG2 THR A 14 10.170 -13.235 -2.175 1.00 0.00 C ATOM 0 H THR A 14 10.116 -9.421 -0.196 1.00 0.00 H new ATOM 0 HA THR A 14 8.598 -10.948 -2.183 1.00 0.00 H new ATOM 0 HB THR A 14 11.231 -11.807 -1.005 1.00 0.00 H new ATOM 0 HG1 THR A 14 10.793 -11.688 -3.801 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.061 -13.778 -2.492 1.00 0.00 H new ATOM 0 HG22 THR A 14 9.749 -13.713 -1.291 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.434 -13.246 -2.979 1.00 0.00 H new ATOM 237 N VAL A 15 7.408 -11.778 -0.185 1.00 0.00 N ATOM 238 CA VAL A 15 6.690 -12.360 0.941 1.00 0.00 C ATOM 239 C VAL A 15 6.039 -13.683 0.552 1.00 0.00 C ATOM 240 O VAL A 15 5.758 -13.927 -0.622 1.00 0.00 O ATOM 241 CB VAL A 15 5.605 -11.404 1.470 1.00 0.00 C ATOM 242 CG1 VAL A 15 6.212 -10.060 1.841 1.00 0.00 C ATOM 243 CG2 VAL A 15 4.496 -11.232 0.444 1.00 0.00 C ATOM 0 H VAL A 15 6.820 -11.545 -0.985 1.00 0.00 H new ATOM 0 HA VAL A 15 7.424 -12.536 1.728 1.00 0.00 H new ATOM 0 HB VAL A 15 5.170 -11.841 2.369 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.430 -9.398 2.213 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.965 -10.202 2.616 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.676 -9.615 0.961 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.739 -10.553 0.837 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.912 -10.820 -0.475 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.041 -12.200 0.234 1.00 0.00 H new ATOM 253 N GLU A 16 5.802 -14.535 1.544 1.00 0.00 N ATOM 254 CA GLU A 16 5.185 -15.834 1.303 1.00 0.00 C ATOM 255 C GLU A 16 3.684 -15.782 1.569 1.00 0.00 C ATOM 256 O GLU A 16 3.248 -15.733 2.719 1.00 0.00 O ATOM 257 CB GLU A 16 5.835 -16.902 2.184 1.00 0.00 C ATOM 258 CG GLU A 16 7.240 -17.280 1.743 1.00 0.00 C ATOM 259 CD GLU A 16 8.304 -16.394 2.362 1.00 0.00 C ATOM 260 OE1 GLU A 16 8.021 -15.201 2.595 1.00 0.00 O ATOM 261 OE2 GLU A 16 9.420 -16.895 2.615 1.00 0.00 O ATOM 0 H GLU A 16 6.028 -14.349 2.521 1.00 0.00 H new ATOM 0 HA GLU A 16 5.340 -16.093 0.256 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.870 -16.541 3.212 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.209 -17.795 2.181 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.435 -18.318 2.013 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.306 -17.216 0.657 1.00 0.00 H new ATOM 268 N LEU A 17 2.898 -15.793 0.496 1.00 0.00 N ATOM 269 CA LEU A 17 1.445 -15.748 0.613 1.00 0.00 C ATOM 270 C LEU A 17 0.793 -16.748 -0.336 1.00 0.00 C ATOM 271 O LEU A 17 1.269 -16.963 -1.450 1.00 0.00 O ATOM 272 CB LEU A 17 0.932 -14.337 0.318 1.00 0.00 C ATOM 273 CG LEU A 17 0.135 -13.687 1.452 1.00 0.00 C ATOM 274 CD1 LEU A 17 0.942 -13.691 2.741 1.00 0.00 C ATOM 275 CD2 LEU A 17 -0.269 -12.270 1.076 1.00 0.00 C ATOM 0 H LEU A 17 3.243 -15.833 -0.463 1.00 0.00 H new ATOM 0 HA LEU A 17 1.178 -16.017 1.635 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.784 -13.699 0.081 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.304 -14.374 -0.572 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.772 -14.270 1.614 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.360 -13.225 3.536 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.179 -14.718 3.019 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.866 -13.133 2.593 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.835 -11.824 1.894 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.624 -11.675 0.886 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.887 -12.294 0.178 1.00 0.00 H new ATOM 287 N GLU A 18 -0.299 -17.358 0.115 1.00 0.00 N ATOM 288 CA GLU A 18 -1.017 -18.337 -0.688 1.00 0.00 C ATOM 289 C GLU A 18 -2.193 -17.690 -1.415 1.00 0.00 C ATOM 290 O GLU A 18 -2.620 -16.588 -1.068 1.00 0.00 O ATOM 291 CB GLU A 18 -1.514 -19.477 0.202 1.00 0.00 C ATOM 292 CG GLU A 18 -0.465 -20.535 0.477 1.00 0.00 C ATOM 293 CD GLU A 18 -0.280 -20.803 1.958 1.00 0.00 C ATOM 294 OE1 GLU A 18 -1.172 -21.434 2.564 1.00 0.00 O ATOM 295 OE2 GLU A 18 0.756 -20.380 2.513 1.00 0.00 O ATOM 0 H GLU A 18 -0.705 -17.190 1.035 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.332 -18.736 -1.436 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.857 -19.063 1.150 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.376 -19.947 -0.272 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.749 -21.461 -0.023 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.486 -20.219 0.047 1.00 0.00 H new ATOM 302 N PRO A 19 -2.733 -18.372 -2.436 1.00 0.00 N ATOM 303 CA PRO A 19 -3.866 -17.865 -3.216 1.00 0.00 C ATOM 304 C PRO A 19 -5.138 -17.753 -2.382 1.00 0.00 C ATOM 305 O PRO A 19 -6.090 -17.076 -2.770 1.00 0.00 O ATOM 306 CB PRO A 19 -4.043 -18.912 -4.321 1.00 0.00 C ATOM 307 CG PRO A 19 -3.416 -20.151 -3.778 1.00 0.00 C ATOM 308 CD PRO A 19 -2.281 -19.692 -2.908 1.00 0.00 C ATOM 0 HA PRO A 19 -3.680 -16.859 -3.593 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.097 -19.070 -4.551 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.559 -18.597 -5.245 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.137 -20.734 -3.204 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.056 -20.792 -4.583 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.106 -20.378 -2.079 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.348 -19.622 -3.467 1.00 0.00 H new ATOM 316 N SER A 20 -5.146 -18.421 -1.232 1.00 0.00 N ATOM 317 CA SER A 20 -6.300 -18.395 -0.342 1.00 0.00 C ATOM 318 C SER A 20 -6.251 -17.179 0.577 1.00 0.00 C ATOM 319 O SER A 20 -7.262 -16.784 1.158 1.00 0.00 O ATOM 320 CB SER A 20 -6.356 -19.676 0.492 1.00 0.00 C ATOM 321 OG SER A 20 -5.190 -19.820 1.284 1.00 0.00 O ATOM 0 H SER A 20 -4.366 -18.986 -0.896 1.00 0.00 H new ATOM 0 HA SER A 20 -7.199 -18.329 -0.955 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.236 -19.657 1.135 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.461 -20.538 -0.167 1.00 0.00 H new ATOM 0 HG SER A 20 -5.251 -20.645 1.809 1.00 0.00 H new ATOM 327 N ASP A 21 -5.067 -16.588 0.704 1.00 0.00 N ATOM 328 CA ASP A 21 -4.885 -15.416 1.553 1.00 0.00 C ATOM 329 C ASP A 21 -5.731 -14.248 1.058 1.00 0.00 C ATOM 330 O ASP A 21 -6.302 -14.300 -0.032 1.00 0.00 O ATOM 331 CB ASP A 21 -3.410 -15.013 1.591 1.00 0.00 C ATOM 332 CG ASP A 21 -2.561 -16.001 2.367 1.00 0.00 C ATOM 333 OD1 ASP A 21 -2.584 -17.201 2.023 1.00 0.00 O ATOM 334 OD2 ASP A 21 -1.874 -15.574 3.319 1.00 0.00 O ATOM 0 H ASP A 21 -4.220 -16.901 0.230 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.210 -15.674 2.561 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.031 -14.934 0.572 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.317 -14.025 2.043 1.00 0.00 H new ATOM 339 N THR A 22 -5.808 -13.195 1.865 1.00 0.00 N ATOM 340 CA THR A 22 -6.586 -12.014 1.510 1.00 0.00 C ATOM 341 C THR A 22 -5.711 -10.765 1.507 1.00 0.00 C ATOM 342 O THR A 22 -4.637 -10.745 2.109 1.00 0.00 O ATOM 343 CB THR A 22 -7.750 -11.833 2.484 1.00 0.00 C ATOM 344 OG1 THR A 22 -7.318 -11.179 3.665 1.00 0.00 O ATOM 345 CG2 THR A 22 -8.398 -13.137 2.893 1.00 0.00 C ATOM 0 H THR A 22 -5.341 -13.136 2.770 1.00 0.00 H new ATOM 0 HA THR A 22 -6.982 -12.160 0.505 1.00 0.00 H new ATOM 0 HB THR A 22 -8.485 -11.234 1.946 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.581 -11.684 4.067 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.216 -12.936 3.585 1.00 0.00 H new ATOM 0 HG22 THR A 22 -8.786 -13.643 2.009 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.659 -13.773 3.380 1.00 0.00 H new ATOM 353 N VAL A 23 -6.178 -9.724 0.826 1.00 0.00 N ATOM 354 CA VAL A 23 -5.439 -8.470 0.747 1.00 0.00 C ATOM 355 C VAL A 23 -5.026 -7.994 2.135 1.00 0.00 C ATOM 356 O VAL A 23 -3.952 -7.418 2.310 1.00 0.00 O ATOM 357 CB VAL A 23 -6.270 -7.369 0.063 1.00 0.00 C ATOM 358 CG1 VAL A 23 -5.522 -6.045 0.083 1.00 0.00 C ATOM 359 CG2 VAL A 23 -6.621 -7.771 -1.361 1.00 0.00 C ATOM 0 H VAL A 23 -7.064 -9.724 0.321 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.548 -8.662 0.149 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.199 -7.243 0.619 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.125 -5.279 -0.405 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.329 -5.752 1.115 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.576 -6.154 -0.447 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.208 -6.980 -1.828 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.705 -7.928 -1.931 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.201 -8.693 -1.346 1.00 0.00 H new ATOM 369 N GLU A 24 -5.883 -8.240 3.119 1.00 0.00 N ATOM 370 CA GLU A 24 -5.605 -7.840 4.492 1.00 0.00 C ATOM 371 C GLU A 24 -4.309 -8.473 4.985 1.00 0.00 C ATOM 372 O GLU A 24 -3.481 -7.810 5.609 1.00 0.00 O ATOM 373 CB GLU A 24 -6.764 -8.238 5.408 1.00 0.00 C ATOM 374 CG GLU A 24 -7.753 -7.113 5.663 1.00 0.00 C ATOM 375 CD GLU A 24 -8.078 -6.944 7.134 1.00 0.00 C ATOM 376 OE1 GLU A 24 -8.274 -7.969 7.820 1.00 0.00 O ATOM 377 OE2 GLU A 24 -8.136 -5.787 7.599 1.00 0.00 O ATOM 0 H GLU A 24 -6.777 -8.715 2.991 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.493 -6.756 4.515 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.293 -9.082 4.965 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.361 -8.580 6.362 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.344 -6.180 5.276 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.672 -7.311 5.112 1.00 0.00 H new ATOM 384 N ASN A 25 -4.139 -9.759 4.697 1.00 0.00 N ATOM 385 CA ASN A 25 -2.942 -10.481 5.107 1.00 0.00 C ATOM 386 C ASN A 25 -1.705 -9.906 4.424 1.00 0.00 C ATOM 387 O ASN A 25 -0.688 -9.655 5.070 1.00 0.00 O ATOM 388 CB ASN A 25 -3.079 -11.969 4.775 1.00 0.00 C ATOM 389 CG ASN A 25 -4.392 -12.551 5.259 1.00 0.00 C ATOM 390 OD1 ASN A 25 -5.337 -12.708 4.485 1.00 0.00 O ATOM 391 ND2 ASN A 25 -4.459 -12.872 6.545 1.00 0.00 N ATOM 0 H ASN A 25 -4.815 -10.322 4.181 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.828 -10.368 6.185 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.999 -12.107 3.697 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.253 -12.517 5.228 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.318 -13.266 6.928 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.651 -12.725 7.150 1.00 0.00 H new ATOM 398 N LEU A 26 -1.803 -9.697 3.115 1.00 0.00 N ATOM 399 CA LEU A 26 -0.691 -9.147 2.347 1.00 0.00 C ATOM 400 C LEU A 26 -0.155 -7.881 3.006 1.00 0.00 C ATOM 401 O LEU A 26 1.028 -7.797 3.341 1.00 0.00 O ATOM 402 CB LEU A 26 -1.135 -8.843 0.914 1.00 0.00 C ATOM 403 CG LEU A 26 -0.059 -8.222 0.021 1.00 0.00 C ATOM 404 CD1 LEU A 26 1.319 -8.732 0.411 1.00 0.00 C ATOM 405 CD2 LEU A 26 -0.346 -8.522 -1.442 1.00 0.00 C ATOM 0 H LEU A 26 -2.638 -9.899 2.565 1.00 0.00 H new ATOM 0 HA LEU A 26 0.107 -9.889 2.321 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.479 -9.768 0.452 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.990 -8.168 0.950 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.076 -7.141 0.161 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.071 -8.279 -0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.525 -8.467 1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.351 -9.816 0.300 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.428 -8.073 -2.064 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.356 -9.601 -1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.316 -8.107 -1.715 1.00 0.00 H new ATOM 417 N LYS A 27 -1.032 -6.902 3.193 1.00 0.00 N ATOM 418 CA LYS A 27 -0.646 -5.642 3.818 1.00 0.00 C ATOM 419 C LYS A 27 -0.093 -5.884 5.217 1.00 0.00 C ATOM 420 O LYS A 27 0.827 -5.196 5.660 1.00 0.00 O ATOM 421 CB LYS A 27 -1.843 -4.693 3.885 1.00 0.00 C ATOM 422 CG LYS A 27 -2.126 -3.976 2.574 1.00 0.00 C ATOM 423 CD LYS A 27 -3.606 -4.000 2.234 1.00 0.00 C ATOM 424 CE LYS A 27 -3.869 -3.444 0.844 1.00 0.00 C ATOM 425 NZ LYS A 27 -5.273 -2.975 0.689 1.00 0.00 N ATOM 0 H LYS A 27 -2.014 -6.956 2.921 1.00 0.00 H new ATOM 0 HA LYS A 27 0.134 -5.184 3.210 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.728 -5.258 4.179 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.665 -3.952 4.664 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.784 -2.943 2.642 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.560 -4.447 1.771 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.977 -5.023 2.294 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.159 -3.417 2.971 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.187 -2.617 0.649 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.659 -4.213 0.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.524 -2.957 -0.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.913 -3.622 1.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.365 -2.018 1.086 1.00 0.00 H new ATOM 439 N ALA A 28 -0.659 -6.869 5.908 1.00 0.00 N ATOM 440 CA ALA A 28 -0.221 -7.206 7.256 1.00 0.00 C ATOM 441 C ALA A 28 1.262 -7.555 7.272 1.00 0.00 C ATOM 442 O ALA A 28 1.984 -7.201 8.205 1.00 0.00 O ATOM 443 CB ALA A 28 -1.045 -8.362 7.804 1.00 0.00 C ATOM 0 H ALA A 28 -1.422 -7.447 5.556 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.372 -6.335 7.894 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.707 -8.604 8.812 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.097 -8.078 7.832 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.922 -9.234 7.161 1.00 0.00 H new ATOM 449 N LYS A 29 1.711 -8.247 6.229 1.00 0.00 N ATOM 450 CA LYS A 29 3.111 -8.640 6.119 1.00 0.00 C ATOM 451 C LYS A 29 3.986 -7.432 5.807 1.00 0.00 C ATOM 452 O LYS A 29 5.070 -7.277 6.370 1.00 0.00 O ATOM 453 CB LYS A 29 3.279 -9.703 5.032 1.00 0.00 C ATOM 454 CG LYS A 29 2.400 -10.926 5.234 1.00 0.00 C ATOM 455 CD LYS A 29 2.619 -11.551 6.602 1.00 0.00 C ATOM 456 CE LYS A 29 1.666 -12.709 6.845 1.00 0.00 C ATOM 457 NZ LYS A 29 1.245 -12.792 8.270 1.00 0.00 N ATOM 0 H LYS A 29 1.126 -8.547 5.449 1.00 0.00 H new ATOM 0 HA LYS A 29 3.425 -9.058 7.075 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.051 -9.259 4.063 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.322 -10.017 5.001 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.353 -10.644 5.125 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.614 -11.661 4.459 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.648 -11.902 6.682 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.479 -10.795 7.375 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.786 -12.593 6.213 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.147 -13.643 6.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.596 -13.595 8.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.082 -12.928 8.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.763 -11.911 8.541 1.00 0.00 H new ATOM 471 N ILE A 30 3.507 -6.579 4.908 1.00 0.00 N ATOM 472 CA ILE A 30 4.246 -5.383 4.522 1.00 0.00 C ATOM 473 C ILE A 30 4.426 -4.446 5.712 1.00 0.00 C ATOM 474 O ILE A 30 5.370 -3.658 5.758 1.00 0.00 O ATOM 475 CB ILE A 30 3.533 -4.622 3.387 1.00 0.00 C ATOM 476 CG1 ILE A 30 3.236 -5.566 2.221 1.00 0.00 C ATOM 477 CG2 ILE A 30 4.381 -3.447 2.924 1.00 0.00 C ATOM 478 CD1 ILE A 30 2.833 -4.851 0.949 1.00 0.00 C ATOM 0 H ILE A 30 2.611 -6.694 4.434 1.00 0.00 H new ATOM 0 HA ILE A 30 5.223 -5.713 4.168 1.00 0.00 H new ATOM 0 HB ILE A 30 2.587 -4.234 3.765 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.119 -6.173 2.022 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.438 -6.249 2.512 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.865 -2.919 2.122 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.546 -2.766 3.759 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.341 -3.813 2.558 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.638 -5.584 0.166 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.932 -4.265 1.131 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.639 -4.188 0.633 1.00 0.00 H new ATOM 490 N GLN A 31 3.514 -4.539 6.674 1.00 0.00 N ATOM 491 CA GLN A 31 3.572 -3.702 7.866 1.00 0.00 C ATOM 492 C GLN A 31 4.459 -4.338 8.931 1.00 0.00 C ATOM 493 O GLN A 31 5.028 -3.644 9.774 1.00 0.00 O ATOM 494 CB GLN A 31 2.166 -3.472 8.425 1.00 0.00 C ATOM 495 CG GLN A 31 2.090 -2.337 9.432 1.00 0.00 C ATOM 496 CD GLN A 31 1.108 -2.615 10.553 1.00 0.00 C ATOM 497 OE1 GLN A 31 1.317 -2.202 11.693 1.00 0.00 O ATOM 498 NE2 GLN A 31 0.028 -3.320 10.233 1.00 0.00 N ATOM 0 H GLN A 31 2.726 -5.186 6.651 1.00 0.00 H new ATOM 0 HA GLN A 31 4.003 -2.741 7.585 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.486 -3.260 7.600 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.817 -4.390 8.898 1.00 0.00 H new ATOM 0 HG2 GLN A 31 3.080 -2.165 9.855 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.800 -1.420 8.919 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.105 -3.643 9.275 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.668 -3.539 10.946 1.00 0.00 H new ATOM 507 N ASP A 32 4.572 -5.661 8.887 1.00 0.00 N ATOM 508 CA ASP A 32 5.392 -6.390 9.848 1.00 0.00 C ATOM 509 C ASP A 32 6.831 -6.504 9.360 1.00 0.00 C ATOM 510 O ASP A 32 7.763 -6.596 10.159 1.00 0.00 O ATOM 511 CB ASP A 32 4.814 -7.780 10.092 1.00 0.00 C ATOM 512 CG ASP A 32 4.505 -8.029 11.555 1.00 0.00 C ATOM 513 OD1 ASP A 32 5.458 -8.079 12.362 1.00 0.00 O ATOM 514 OD2 ASP A 32 3.312 -8.174 11.895 1.00 0.00 O ATOM 0 H ASP A 32 4.107 -6.250 8.197 1.00 0.00 H new ATOM 0 HA ASP A 32 5.388 -5.833 10.785 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.903 -7.900 9.506 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.521 -8.531 9.740 1.00 0.00 H new ATOM 519 N LYS A 33 7.007 -6.498 8.042 1.00 0.00 N ATOM 520 CA LYS A 33 8.335 -6.600 7.448 1.00 0.00 C ATOM 521 C LYS A 33 8.850 -5.226 7.029 1.00 0.00 C ATOM 522 O LYS A 33 9.978 -4.852 7.349 1.00 0.00 O ATOM 523 CB LYS A 33 8.305 -7.538 6.240 1.00 0.00 C ATOM 524 CG LYS A 33 8.610 -8.985 6.589 1.00 0.00 C ATOM 525 CD LYS A 33 10.034 -9.361 6.214 1.00 0.00 C ATOM 526 CE LYS A 33 10.151 -9.698 4.737 1.00 0.00 C ATOM 527 NZ LYS A 33 10.396 -11.149 4.516 1.00 0.00 N ATOM 0 H LYS A 33 6.247 -6.424 7.366 1.00 0.00 H new ATOM 0 HA LYS A 33 9.012 -7.008 8.198 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.322 -7.485 5.773 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.028 -7.190 5.502 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.461 -9.142 7.657 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.911 -9.641 6.070 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.704 -8.536 6.454 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.355 -10.216 6.810 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.236 -9.402 4.224 1.00 0.00 H new ATOM 0 HE3 LYS A 33 10.964 -9.121 4.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.470 -11.337 3.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 11.282 -11.427 4.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.608 -11.699 4.913 1.00 0.00 H new ATOM 541 N GLU A 34 8.016 -4.479 6.313 1.00 0.00 N ATOM 542 CA GLU A 34 8.389 -3.147 5.852 1.00 0.00 C ATOM 543 C GLU A 34 7.912 -2.079 6.832 1.00 0.00 C ATOM 544 O GLU A 34 8.666 -1.176 7.195 1.00 0.00 O ATOM 545 CB GLU A 34 7.800 -2.880 4.465 1.00 0.00 C ATOM 546 CG GLU A 34 8.776 -2.213 3.509 1.00 0.00 C ATOM 547 CD GLU A 34 8.330 -2.304 2.063 1.00 0.00 C ATOM 548 OE1 GLU A 34 7.110 -2.425 1.824 1.00 0.00 O ATOM 549 OE2 GLU A 34 9.201 -2.254 1.169 1.00 0.00 O ATOM 0 H GLU A 34 7.078 -4.773 6.040 1.00 0.00 H new ATOM 0 HA GLU A 34 9.476 -3.102 5.793 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.468 -3.824 4.032 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.917 -2.249 4.569 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.890 -1.165 3.785 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.756 -2.678 3.613 1.00 0.00 H new ATOM 556 N GLY A 35 6.658 -2.191 7.255 1.00 0.00 N ATOM 557 CA GLY A 35 6.103 -1.229 8.190 1.00 0.00 C ATOM 558 C GLY A 35 5.160 -0.247 7.520 1.00 0.00 C ATOM 559 O GLY A 35 5.003 0.884 7.979 1.00 0.00 O ATOM 0 H GLY A 35 6.016 -2.930 6.968 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.570 -1.760 8.979 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.915 -0.680 8.667 1.00 0.00 H new ATOM 563 N ILE A 36 4.533 -0.682 6.432 1.00 0.00 N ATOM 564 CA ILE A 36 3.603 0.167 5.697 1.00 0.00 C ATOM 565 C ILE A 36 2.157 -0.163 6.056 1.00 0.00 C ATOM 566 O ILE A 36 1.758 -1.328 6.051 1.00 0.00 O ATOM 567 CB ILE A 36 3.785 0.015 4.175 1.00 0.00 C ATOM 568 CG1 ILE A 36 5.234 0.310 3.781 1.00 0.00 C ATOM 569 CG2 ILE A 36 2.831 0.938 3.432 1.00 0.00 C ATOM 570 CD1 ILE A 36 5.811 1.528 4.466 1.00 0.00 C ATOM 0 H ILE A 36 4.652 -1.616 6.040 1.00 0.00 H new ATOM 0 HA ILE A 36 3.823 1.196 5.982 1.00 0.00 H new ATOM 0 HB ILE A 36 3.554 -1.014 3.898 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.850 -0.557 4.019 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.287 0.451 2.701 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.972 0.819 2.358 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.803 0.686 3.693 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.033 1.972 3.712 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.840 1.676 4.139 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.218 2.406 4.208 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.791 1.382 5.546 1.00 0.00 H new ATOM 582 N PRO A 37 1.351 0.861 6.375 1.00 0.00 N ATOM 583 CA PRO A 37 -0.057 0.674 6.737 1.00 0.00 C ATOM 584 C PRO A 37 -0.882 0.131 5.574 1.00 0.00 C ATOM 585 O PRO A 37 -0.604 0.426 4.411 1.00 0.00 O ATOM 586 CB PRO A 37 -0.537 2.082 7.114 1.00 0.00 C ATOM 587 CG PRO A 37 0.702 2.896 7.292 1.00 0.00 C ATOM 588 CD PRO A 37 1.745 2.275 6.407 1.00 0.00 C ATOM 0 HA PRO A 37 -0.170 -0.052 7.542 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.172 2.501 6.334 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.128 2.062 8.030 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.527 3.936 7.016 1.00 0.00 H new ATOM 0 HG3 PRO A 37 1.023 2.892 8.334 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.744 2.717 5.411 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.748 2.405 6.813 1.00 0.00 H new ATOM 596 N PRO A 38 -1.914 -0.671 5.877 1.00 0.00 N ATOM 597 CA PRO A 38 -2.790 -1.259 4.858 1.00 0.00 C ATOM 598 C PRO A 38 -3.570 -0.200 4.086 1.00 0.00 C ATOM 599 O PRO A 38 -3.684 -0.264 2.863 1.00 0.00 O ATOM 600 CB PRO A 38 -3.752 -2.144 5.663 1.00 0.00 C ATOM 601 CG PRO A 38 -3.114 -2.311 7.001 1.00 0.00 C ATOM 602 CD PRO A 38 -2.308 -1.066 7.235 1.00 0.00 C ATOM 0 HA PRO A 38 -2.220 -1.806 4.107 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.733 -1.678 5.751 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.900 -3.108 5.176 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.867 -2.440 7.779 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.479 -3.197 7.022 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.896 -0.291 7.727 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.441 -1.259 7.867 1.00 0.00 H new ATOM 610 N ASP A 39 -4.107 0.776 4.813 1.00 0.00 N ATOM 611 CA ASP A 39 -4.880 1.851 4.202 1.00 0.00 C ATOM 612 C ASP A 39 -4.009 2.698 3.281 1.00 0.00 C ATOM 613 O ASP A 39 -4.516 3.494 2.490 1.00 0.00 O ATOM 614 CB ASP A 39 -5.506 2.733 5.285 1.00 0.00 C ATOM 615 CG ASP A 39 -6.806 3.368 4.834 1.00 0.00 C ATOM 616 OD1 ASP A 39 -7.141 3.247 3.637 1.00 0.00 O ATOM 617 OD2 ASP A 39 -7.488 3.988 5.677 1.00 0.00 O ATOM 0 H ASP A 39 -4.020 0.844 5.827 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.672 1.400 3.604 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.688 2.134 6.177 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.801 3.515 5.565 1.00 0.00 H new ATOM 622 N GLN A 40 -2.696 2.523 3.388 1.00 0.00 N ATOM 623 CA GLN A 40 -1.755 3.274 2.562 1.00 0.00 C ATOM 624 C GLN A 40 -1.061 2.359 1.560 1.00 0.00 C ATOM 625 O GLN A 40 0.005 2.688 1.039 1.00 0.00 O ATOM 626 CB GLN A 40 -0.715 3.969 3.442 1.00 0.00 C ATOM 627 CG GLN A 40 -1.279 5.120 4.259 1.00 0.00 C ATOM 628 CD GLN A 40 -0.287 5.659 5.269 1.00 0.00 C ATOM 629 OE1 GLN A 40 0.924 5.596 5.061 1.00 0.00 O ATOM 630 NE2 GLN A 40 -0.797 6.194 6.373 1.00 0.00 N ATOM 0 H GLN A 40 -2.259 1.869 4.037 1.00 0.00 H new ATOM 0 HA GLN A 40 -2.316 4.028 2.010 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.276 3.236 4.118 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.091 4.343 2.811 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.581 5.924 3.587 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -2.176 4.786 4.780 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.808 6.226 6.504 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.178 6.573 7.089 1.00 0.00 H new ATOM 639 N GLN A 41 -1.669 1.207 1.296 1.00 0.00 N ATOM 640 CA GLN A 41 -1.109 0.243 0.357 1.00 0.00 C ATOM 641 C GLN A 41 -2.016 0.070 -0.858 1.00 0.00 C ATOM 642 O GLN A 41 -2.970 -0.708 -0.825 1.00 0.00 O ATOM 643 CB GLN A 41 -0.903 -1.107 1.043 1.00 0.00 C ATOM 644 CG GLN A 41 0.439 -1.239 1.742 1.00 0.00 C ATOM 645 CD GLN A 41 0.598 -2.571 2.448 1.00 0.00 C ATOM 646 OE1 GLN A 41 0.693 -3.619 1.809 1.00 0.00 O ATOM 647 NE2 GLN A 41 0.627 -2.538 3.775 1.00 0.00 N ATOM 0 H GLN A 41 -2.551 0.919 1.720 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.146 0.626 0.018 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.699 -1.259 1.772 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.995 -1.900 0.300 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.239 -1.121 1.011 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.548 -0.432 2.467 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.545 -1.647 4.265 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.731 -3.404 4.305 1.00 0.00 H new ATOM 656 N ARG A 42 -1.711 0.795 -1.929 1.00 0.00 N ATOM 657 CA ARG A 42 -2.499 0.713 -3.152 1.00 0.00 C ATOM 658 C ARG A 42 -1.862 -0.260 -4.139 1.00 0.00 C ATOM 659 O ARG A 42 -0.972 0.109 -4.905 1.00 0.00 O ATOM 660 CB ARG A 42 -2.631 2.096 -3.794 1.00 0.00 C ATOM 661 CG ARG A 42 -3.934 2.802 -3.455 1.00 0.00 C ATOM 662 CD ARG A 42 -4.634 3.311 -4.704 1.00 0.00 C ATOM 663 NE ARG A 42 -5.412 4.518 -4.441 1.00 0.00 N ATOM 664 CZ ARG A 42 -6.276 5.041 -5.305 1.00 0.00 C ATOM 665 NH1 ARG A 42 -6.471 4.465 -6.484 1.00 0.00 N ATOM 666 NH2 ARG A 42 -6.947 6.141 -4.990 1.00 0.00 N ATOM 0 H ARG A 42 -0.926 1.444 -1.974 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.492 0.346 -2.893 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.796 2.718 -3.472 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.554 1.994 -4.876 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.592 2.116 -2.922 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.733 3.637 -2.784 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.893 3.518 -5.476 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.291 2.534 -5.094 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.285 4.986 -3.544 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.957 3.619 -6.729 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -7.135 4.868 -7.145 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.800 6.586 -4.084 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.610 6.542 -5.654 1.00 0.00 H new ATOM 680 N LEU A 43 -2.320 -1.507 -4.111 1.00 0.00 N ATOM 681 CA LEU A 43 -1.791 -2.534 -5.002 1.00 0.00 C ATOM 682 C LEU A 43 -2.568 -2.574 -6.313 1.00 0.00 C ATOM 683 O LEU A 43 -3.791 -2.708 -6.318 1.00 0.00 O ATOM 684 CB LEU A 43 -1.843 -3.905 -4.324 1.00 0.00 C ATOM 685 CG LEU A 43 -1.081 -4.005 -3.003 1.00 0.00 C ATOM 686 CD1 LEU A 43 -1.164 -5.417 -2.445 1.00 0.00 C ATOM 687 CD2 LEU A 43 0.372 -3.590 -3.193 1.00 0.00 C ATOM 0 H LEU A 43 -3.055 -1.831 -3.482 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.753 -2.284 -5.224 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.886 -4.165 -4.144 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.444 -4.649 -5.013 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.542 -3.325 -2.287 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.616 -5.469 -1.504 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.208 -5.679 -2.272 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.728 -6.116 -3.158 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.900 -3.667 -2.242 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.845 -4.245 -3.925 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.413 -2.560 -3.548 1.00 0.00 H new ATOM 699 N ILE A 44 -1.846 -2.459 -7.423 1.00 0.00 N ATOM 700 CA ILE A 44 -2.463 -2.484 -8.742 1.00 0.00 C ATOM 701 C ILE A 44 -1.962 -3.673 -9.555 1.00 0.00 C ATOM 702 O ILE A 44 -1.096 -3.527 -10.417 1.00 0.00 O ATOM 703 CB ILE A 44 -2.176 -1.187 -9.521 1.00 0.00 C ATOM 704 CG1 ILE A 44 -2.538 0.034 -8.674 1.00 0.00 C ATOM 705 CG2 ILE A 44 -2.943 -1.174 -10.835 1.00 0.00 C ATOM 706 CD1 ILE A 44 -4.016 0.142 -8.367 1.00 0.00 C ATOM 0 H ILE A 44 -0.832 -2.348 -7.434 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.538 -2.575 -8.589 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.110 -1.146 -9.746 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.983 -0.007 -7.737 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.217 0.936 -9.196 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.728 -0.250 -11.372 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.639 -2.026 -11.442 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.012 -1.236 -10.633 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.198 1.031 -7.763 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.577 0.215 -9.299 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.339 -0.742 -7.817 1.00 0.00 H new ATOM 718 N PHE A 45 -2.511 -4.849 -9.272 1.00 0.00 N ATOM 719 CA PHE A 45 -2.116 -6.065 -9.976 1.00 0.00 C ATOM 720 C PHE A 45 -2.800 -6.154 -11.336 1.00 0.00 C ATOM 721 O PHE A 45 -4.026 -6.202 -11.422 1.00 0.00 O ATOM 722 CB PHE A 45 -2.458 -7.300 -9.140 1.00 0.00 C ATOM 723 CG PHE A 45 -2.089 -8.594 -9.804 1.00 0.00 C ATOM 724 CD1 PHE A 45 -0.756 -8.923 -10.022 1.00 0.00 C ATOM 725 CD2 PHE A 45 -3.074 -9.486 -10.214 1.00 0.00 C ATOM 726 CE1 PHE A 45 -0.412 -10.117 -10.636 1.00 0.00 C ATOM 727 CE2 PHE A 45 -2.737 -10.682 -10.828 1.00 0.00 C ATOM 728 CZ PHE A 45 -1.404 -10.997 -11.040 1.00 0.00 C ATOM 0 H PHE A 45 -3.230 -4.987 -8.561 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.038 -6.028 -10.133 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.944 -7.233 -8.181 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.527 -7.301 -8.929 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.020 -8.240 -9.709 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.114 -9.244 -10.052 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.627 -10.361 -10.799 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.511 -11.367 -11.141 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.138 -11.927 -11.520 1.00 0.00 H new ATOM 738 N ALA A 46 -1.998 -6.176 -12.395 1.00 0.00 N ATOM 739 CA ALA A 46 -2.529 -6.262 -13.751 1.00 0.00 C ATOM 740 C ALA A 46 -3.693 -5.297 -13.945 1.00 0.00 C ATOM 741 O ALA A 46 -4.737 -5.669 -14.482 1.00 0.00 O ATOM 742 CB ALA A 46 -2.963 -7.686 -14.060 1.00 0.00 C ATOM 0 H ALA A 46 -0.980 -6.136 -12.341 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.737 -5.979 -14.444 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.357 -7.734 -15.075 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.107 -8.355 -13.971 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.737 -7.991 -13.356 1.00 0.00 H new ATOM 748 N GLY A 47 -3.508 -4.058 -13.503 1.00 0.00 N ATOM 749 CA GLY A 47 -4.552 -3.060 -13.637 1.00 0.00 C ATOM 750 C GLY A 47 -5.766 -3.371 -12.782 1.00 0.00 C ATOM 751 O GLY A 47 -6.896 -3.070 -13.163 1.00 0.00 O ATOM 0 H GLY A 47 -2.654 -3.727 -13.054 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.155 -2.084 -13.358 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.855 -2.994 -14.682 1.00 0.00 H new ATOM 755 N LYS A 48 -5.528 -3.975 -11.622 1.00 0.00 N ATOM 756 CA LYS A 48 -6.609 -4.328 -10.709 1.00 0.00 C ATOM 757 C LYS A 48 -6.273 -3.901 -9.284 1.00 0.00 C ATOM 758 O LYS A 48 -5.377 -4.463 -8.651 1.00 0.00 O ATOM 759 CB LYS A 48 -6.875 -5.834 -10.755 1.00 0.00 C ATOM 760 CG LYS A 48 -8.239 -6.195 -11.320 1.00 0.00 C ATOM 761 CD LYS A 48 -8.187 -7.492 -12.111 1.00 0.00 C ATOM 762 CE LYS A 48 -8.530 -7.266 -13.575 1.00 0.00 C ATOM 763 NZ LYS A 48 -7.971 -8.335 -14.447 1.00 0.00 N ATOM 0 H LYS A 48 -4.597 -4.230 -11.292 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.508 -3.800 -11.027 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.103 -6.312 -11.358 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.790 -6.240 -9.747 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.957 -6.292 -10.506 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.593 -5.389 -11.963 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.191 -7.927 -12.033 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.884 -8.211 -11.680 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.613 -7.231 -13.693 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.143 -6.298 -13.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.227 -8.145 -15.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.935 -8.353 -14.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.360 -9.256 -14.160 1.00 0.00 H new ATOM 777 N GLN A 49 -6.998 -2.906 -8.784 1.00 0.00 N ATOM 778 CA GLN A 49 -6.778 -2.401 -7.434 1.00 0.00 C ATOM 779 C GLN A 49 -7.329 -3.372 -6.394 1.00 0.00 C ATOM 780 O GLN A 49 -8.535 -3.423 -6.154 1.00 0.00 O ATOM 781 CB GLN A 49 -7.436 -1.030 -7.267 1.00 0.00 C ATOM 782 CG GLN A 49 -6.867 -0.217 -6.116 1.00 0.00 C ATOM 783 CD GLN A 49 -7.687 1.023 -5.818 1.00 0.00 C ATOM 784 OE1 GLN A 49 -8.025 1.295 -4.666 1.00 0.00 O ATOM 785 NE2 GLN A 49 -8.011 1.782 -6.858 1.00 0.00 N ATOM 0 H GLN A 49 -7.744 -2.433 -9.294 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.703 -2.302 -7.280 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.319 -0.465 -8.192 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.506 -1.167 -7.110 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.820 -0.841 -5.223 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.844 0.076 -6.354 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -7.709 1.518 -7.796 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.562 2.629 -6.719 1.00 0.00 H new ATOM 794 N LEU A 50 -6.436 -4.142 -5.780 1.00 0.00 N ATOM 795 CA LEU A 50 -6.832 -5.113 -4.766 1.00 0.00 C ATOM 796 C LEU A 50 -7.724 -4.466 -3.713 1.00 0.00 C ATOM 797 O LEU A 50 -7.328 -3.502 -3.056 1.00 0.00 O ATOM 798 CB LEU A 50 -5.596 -5.720 -4.100 1.00 0.00 C ATOM 799 CG LEU A 50 -4.554 -6.290 -5.063 1.00 0.00 C ATOM 800 CD1 LEU A 50 -3.498 -7.078 -4.303 1.00 0.00 C ATOM 801 CD2 LEU A 50 -5.223 -7.166 -6.113 1.00 0.00 C ATOM 0 H LEU A 50 -5.434 -4.112 -5.967 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.397 -5.905 -5.258 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.121 -4.955 -3.486 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.918 -6.514 -3.427 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.062 -5.460 -5.570 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.765 -7.476 -5.005 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.998 -6.423 -3.590 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.973 -7.901 -3.769 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.467 -7.564 -6.790 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.741 -7.990 -5.623 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.941 -6.572 -6.679 1.00 0.00 H new ATOM 813 N GLU A 51 -8.930 -5.003 -3.554 1.00 0.00 N ATOM 814 CA GLU A 51 -9.879 -4.480 -2.578 1.00 0.00 C ATOM 815 C GLU A 51 -9.848 -5.304 -1.295 1.00 0.00 C ATOM 816 O GLU A 51 -10.179 -6.489 -1.300 1.00 0.00 O ATOM 817 CB GLU A 51 -11.293 -4.475 -3.161 1.00 0.00 C ATOM 818 CG GLU A 51 -11.363 -3.952 -4.586 1.00 0.00 C ATOM 819 CD GLU A 51 -11.568 -2.451 -4.648 1.00 0.00 C ATOM 820 OE1 GLU A 51 -12.736 -2.011 -4.660 1.00 0.00 O ATOM 821 OE2 GLU A 51 -10.558 -1.715 -4.683 1.00 0.00 O ATOM 0 H GLU A 51 -9.273 -5.801 -4.089 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.589 -3.457 -2.339 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.691 -5.489 -3.136 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -11.936 -3.864 -2.527 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.443 -4.211 -5.110 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -12.179 -4.448 -5.111 1.00 0.00 H new ATOM 828 N ASP A 52 -9.451 -4.668 -0.198 1.00 0.00 N ATOM 829 CA ASP A 52 -9.378 -5.340 1.091 1.00 0.00 C ATOM 830 C ASP A 52 -10.631 -6.173 1.342 1.00 0.00 C ATOM 831 O ASP A 52 -11.748 -5.660 1.299 1.00 0.00 O ATOM 832 CB ASP A 52 -9.200 -4.315 2.211 1.00 0.00 C ATOM 833 CG ASP A 52 -9.765 -2.953 1.855 1.00 0.00 C ATOM 834 OD1 ASP A 52 -10.761 -2.902 1.105 1.00 0.00 O ATOM 835 OD2 ASP A 52 -9.209 -1.938 2.326 1.00 0.00 O ATOM 0 H ASP A 52 -9.175 -3.686 -0.178 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.517 -6.008 1.078 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.688 -4.681 3.114 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.139 -4.215 2.441 1.00 0.00 H new ATOM 840 N GLY A 53 -10.435 -7.462 1.603 1.00 0.00 N ATOM 841 CA GLY A 53 -11.559 -8.345 1.857 1.00 0.00 C ATOM 842 C GLY A 53 -11.604 -9.519 0.898 1.00 0.00 C ATOM 843 O GLY A 53 -12.174 -10.563 1.213 1.00 0.00 O ATOM 0 H GLY A 53 -9.520 -7.910 1.643 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.500 -8.718 2.880 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.487 -7.779 1.777 1.00 0.00 H new ATOM 847 N ARG A 54 -11.005 -9.346 -0.276 1.00 0.00 N ATOM 848 CA ARG A 54 -10.981 -10.400 -1.284 1.00 0.00 C ATOM 849 C ARG A 54 -9.724 -11.254 -1.151 1.00 0.00 C ATOM 850 O ARG A 54 -8.748 -10.847 -0.521 1.00 0.00 O ATOM 851 CB ARG A 54 -11.056 -9.793 -2.686 1.00 0.00 C ATOM 852 CG ARG A 54 -12.065 -8.663 -2.806 1.00 0.00 C ATOM 853 CD ARG A 54 -13.352 -9.133 -3.463 1.00 0.00 C ATOM 854 NE ARG A 54 -14.002 -10.193 -2.698 1.00 0.00 N ATOM 855 CZ ARG A 54 -14.803 -9.968 -1.660 1.00 0.00 C ATOM 856 NH1 ARG A 54 -15.048 -8.725 -1.268 1.00 0.00 N ATOM 857 NH2 ARG A 54 -15.357 -10.985 -1.015 1.00 0.00 N ATOM 0 H ARG A 54 -10.530 -8.487 -0.553 1.00 0.00 H new ATOM 0 HA ARG A 54 -11.849 -11.040 -1.126 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.070 -9.420 -2.965 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.314 -10.576 -3.399 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.285 -8.264 -1.816 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.634 -7.849 -3.389 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.035 -8.290 -3.566 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.135 -9.493 -4.469 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.833 -11.160 -2.975 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.622 -7.941 -1.762 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -15.662 -8.553 -0.472 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -15.169 -11.942 -1.314 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -15.971 -10.811 -0.219 1.00 0.00 H new ATOM 871 N THR A 55 -9.754 -12.439 -1.750 1.00 0.00 N ATOM 872 CA THR A 55 -8.617 -13.352 -1.700 1.00 0.00 C ATOM 873 C THR A 55 -7.743 -13.201 -2.941 1.00 0.00 C ATOM 874 O THR A 55 -8.212 -12.768 -3.993 1.00 0.00 O ATOM 875 CB THR A 55 -9.100 -14.798 -1.575 1.00 0.00 C ATOM 876 OG1 THR A 55 -9.899 -15.157 -2.688 1.00 0.00 O ATOM 877 CG2 THR A 55 -9.913 -15.051 -0.325 1.00 0.00 C ATOM 0 H THR A 55 -10.554 -12.791 -2.276 1.00 0.00 H new ATOM 0 HA THR A 55 -8.020 -13.100 -0.824 1.00 0.00 H new ATOM 0 HB THR A 55 -8.194 -15.403 -1.528 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.729 -14.636 -2.677 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.224 -16.095 -0.298 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.307 -14.830 0.554 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.794 -14.410 -0.328 1.00 0.00 H new ATOM 885 N LEU A 56 -6.471 -13.562 -2.810 1.00 0.00 N ATOM 886 CA LEU A 56 -5.532 -13.468 -3.921 1.00 0.00 C ATOM 887 C LEU A 56 -5.930 -14.411 -5.050 1.00 0.00 C ATOM 888 O LEU A 56 -5.633 -14.160 -6.218 1.00 0.00 O ATOM 889 CB LEU A 56 -4.114 -13.794 -3.445 1.00 0.00 C ATOM 890 CG LEU A 56 -3.566 -12.865 -2.361 1.00 0.00 C ATOM 891 CD1 LEU A 56 -2.056 -13.006 -2.252 1.00 0.00 C ATOM 892 CD2 LEU A 56 -3.949 -11.422 -2.654 1.00 0.00 C ATOM 0 H LEU A 56 -6.067 -13.922 -1.946 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.556 -12.446 -4.300 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.100 -14.816 -3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.443 -13.762 -4.303 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.007 -13.151 -1.406 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.683 -12.338 -1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.804 -14.035 -1.996 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.597 -12.746 -3.206 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.551 -10.774 -1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.536 -11.124 -3.618 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.035 -11.332 -2.682 1.00 0.00 H new ATOM 904 N SER A 57 -6.608 -15.498 -4.694 1.00 0.00 N ATOM 905 CA SER A 57 -7.050 -16.479 -5.678 1.00 0.00 C ATOM 906 C SER A 57 -8.090 -15.876 -6.616 1.00 0.00 C ATOM 907 O SER A 57 -8.193 -16.268 -7.780 1.00 0.00 O ATOM 908 CB SER A 57 -7.631 -17.709 -4.978 1.00 0.00 C ATOM 909 OG SER A 57 -8.543 -18.393 -5.820 1.00 0.00 O ATOM 0 H SER A 57 -6.863 -15.721 -3.732 1.00 0.00 H new ATOM 0 HA SER A 57 -6.185 -16.780 -6.268 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.824 -18.382 -4.689 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.136 -17.405 -4.061 1.00 0.00 H new ATOM 0 HG SER A 57 -8.899 -19.176 -5.350 1.00 0.00 H new ATOM 915 N ASP A 58 -8.857 -14.920 -6.103 1.00 0.00 N ATOM 916 CA ASP A 58 -9.889 -14.261 -6.894 1.00 0.00 C ATOM 917 C ASP A 58 -9.267 -13.340 -7.939 1.00 0.00 C ATOM 918 O ASP A 58 -9.928 -12.935 -8.896 1.00 0.00 O ATOM 919 CB ASP A 58 -10.824 -13.461 -5.984 1.00 0.00 C ATOM 920 CG ASP A 58 -11.310 -14.272 -4.799 1.00 0.00 C ATOM 921 OD1 ASP A 58 -11.273 -15.518 -4.877 1.00 0.00 O ATOM 922 OD2 ASP A 58 -11.728 -13.661 -3.793 1.00 0.00 O ATOM 0 H ASP A 58 -8.783 -14.584 -5.143 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.464 -15.030 -7.410 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.304 -12.573 -5.624 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.682 -13.117 -6.562 1.00 0.00 H new ATOM 927 N TYR A 59 -7.994 -13.013 -7.749 1.00 0.00 N ATOM 928 CA TYR A 59 -7.282 -12.141 -8.674 1.00 0.00 C ATOM 929 C TYR A 59 -6.347 -12.947 -9.571 1.00 0.00 C ATOM 930 O TYR A 59 -5.313 -12.447 -10.014 1.00 0.00 O ATOM 931 CB TYR A 59 -6.485 -11.087 -7.904 1.00 0.00 C ATOM 932 CG TYR A 59 -7.330 -9.945 -7.389 1.00 0.00 C ATOM 933 CD1 TYR A 59 -7.948 -9.058 -8.270 1.00 0.00 C ATOM 934 CD2 TYR A 59 -7.513 -9.749 -6.021 1.00 0.00 C ATOM 935 CE1 TYR A 59 -8.724 -8.009 -7.801 1.00 0.00 C ATOM 936 CE2 TYR A 59 -8.287 -8.703 -5.545 1.00 0.00 C ATOM 937 CZ TYR A 59 -8.890 -7.837 -6.439 1.00 0.00 C ATOM 938 OH TYR A 59 -9.660 -6.797 -5.971 1.00 0.00 O ATOM 0 H TYR A 59 -7.434 -13.339 -6.962 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.019 -11.641 -9.303 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.984 -11.566 -7.062 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.706 -10.687 -8.553 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.820 -9.190 -9.334 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.044 -10.424 -5.320 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.196 -7.330 -8.496 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.419 -8.565 -4.482 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.308 -7.137 -5.319 1.00 0.00 H new ATOM 948 N ASN A 60 -6.718 -14.196 -9.832 1.00 0.00 N ATOM 949 CA ASN A 60 -5.911 -15.071 -10.675 1.00 0.00 C ATOM 950 C ASN A 60 -4.428 -14.917 -10.353 1.00 0.00 C ATOM 951 O ASN A 60 -3.575 -15.039 -11.232 1.00 0.00 O ATOM 952 CB ASN A 60 -6.159 -14.759 -12.152 1.00 0.00 C ATOM 953 CG ASN A 60 -6.142 -13.271 -12.441 1.00 0.00 C ATOM 954 OD1 ASN A 60 -5.092 -12.694 -12.724 1.00 0.00 O ATOM 955 ND2 ASN A 60 -7.308 -12.641 -12.369 1.00 0.00 N ATOM 0 H ASN A 60 -7.571 -14.625 -9.473 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.204 -16.102 -10.474 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.398 -15.252 -12.757 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.122 -15.173 -12.451 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.358 -11.639 -12.552 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -8.154 -13.159 -12.131 1.00 0.00 H new ATOM 962 N LEU A 61 -4.129 -14.646 -9.087 1.00 0.00 N ATOM 963 CA LEU A 61 -2.750 -14.475 -8.646 1.00 0.00 C ATOM 964 C LEU A 61 -1.935 -15.739 -8.897 1.00 0.00 C ATOM 965 O LEU A 61 -2.347 -16.839 -8.528 1.00 0.00 O ATOM 966 CB LEU A 61 -2.708 -14.115 -7.159 1.00 0.00 C ATOM 967 CG LEU A 61 -2.822 -12.622 -6.851 1.00 0.00 C ATOM 968 CD1 LEU A 61 -1.450 -11.965 -6.883 1.00 0.00 C ATOM 969 CD2 LEU A 61 -3.763 -11.945 -7.836 1.00 0.00 C ATOM 0 H LEU A 61 -4.824 -14.540 -8.348 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.311 -13.661 -9.223 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.518 -14.638 -6.651 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.775 -14.487 -6.737 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.234 -12.507 -5.849 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.550 -10.902 -6.662 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.806 -12.432 -6.138 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.010 -12.090 -7.872 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.832 -10.883 -7.602 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.380 -12.069 -8.849 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.752 -12.398 -7.764 1.00 0.00 H new ATOM 981 N GLN A 62 -0.776 -15.573 -9.525 1.00 0.00 N ATOM 982 CA GLN A 62 0.101 -16.700 -9.822 1.00 0.00 C ATOM 983 C GLN A 62 1.268 -16.751 -8.843 1.00 0.00 C ATOM 984 O GLN A 62 1.302 -16.008 -7.863 1.00 0.00 O ATOM 985 CB GLN A 62 0.627 -16.600 -11.255 1.00 0.00 C ATOM 986 CG GLN A 62 -0.460 -16.339 -12.286 1.00 0.00 C ATOM 987 CD GLN A 62 -0.034 -15.335 -13.339 1.00 0.00 C ATOM 988 OE1 GLN A 62 0.606 -15.690 -14.329 1.00 0.00 O ATOM 989 NE2 GLN A 62 -0.388 -14.072 -13.131 1.00 0.00 N ATOM 0 H GLN A 62 -0.422 -14.669 -9.838 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.479 -17.617 -9.718 1.00 0.00 H new ATOM 0 HB2 GLN A 62 1.365 -15.800 -11.307 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.142 -17.526 -11.509 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.729 -17.277 -12.771 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.354 -15.974 -11.781 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.918 -13.822 -12.296 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.129 -13.352 -13.806 1.00 0.00 H new ATOM 998 N LYS A 63 2.226 -17.632 -9.114 1.00 0.00 N ATOM 999 CA LYS A 63 3.395 -17.776 -8.256 1.00 0.00 C ATOM 1000 C LYS A 63 4.511 -16.836 -8.695 1.00 0.00 C ATOM 1001 O LYS A 63 4.868 -16.787 -9.872 1.00 0.00 O ATOM 1002 CB LYS A 63 3.894 -19.221 -8.273 1.00 0.00 C ATOM 1003 CG LYS A 63 4.420 -19.698 -6.930 1.00 0.00 C ATOM 1004 CD LYS A 63 5.553 -20.698 -7.098 1.00 0.00 C ATOM 1005 CE LYS A 63 5.125 -22.097 -6.687 1.00 0.00 C ATOM 1006 NZ LYS A 63 3.879 -22.524 -7.384 1.00 0.00 N ATOM 0 H LYS A 63 2.215 -18.256 -9.921 1.00 0.00 H new ATOM 0 HA LYS A 63 3.101 -17.513 -7.240 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.080 -19.874 -8.588 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.684 -19.315 -9.018 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.771 -18.843 -6.351 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.610 -20.156 -6.363 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.881 -20.707 -8.138 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.407 -20.386 -6.497 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.926 -22.802 -6.910 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.966 -22.126 -5.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.861 -23.561 -7.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.051 -22.201 -6.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.854 -22.108 -8.337 1.00 0.00 H new ATOM 1020 N GLU A 64 5.058 -16.090 -7.741 1.00 0.00 N ATOM 1021 CA GLU A 64 6.134 -15.151 -8.028 1.00 0.00 C ATOM 1022 C GLU A 64 5.623 -13.975 -8.855 1.00 0.00 C ATOM 1023 O GLU A 64 6.375 -13.367 -9.618 1.00 0.00 O ATOM 1024 CB GLU A 64 7.272 -15.856 -8.770 1.00 0.00 C ATOM 1025 CG GLU A 64 7.869 -17.023 -8.002 1.00 0.00 C ATOM 1026 CD GLU A 64 7.800 -18.325 -8.776 1.00 0.00 C ATOM 1027 OE1 GLU A 64 8.040 -18.302 -10.002 1.00 0.00 O ATOM 1028 OE2 GLU A 64 7.505 -19.370 -8.157 1.00 0.00 O ATOM 0 H GLU A 64 4.773 -16.118 -6.762 1.00 0.00 H new ATOM 0 HA GLU A 64 6.511 -14.769 -7.080 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.901 -16.216 -9.730 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.059 -15.132 -8.983 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.909 -16.802 -7.762 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.341 -17.139 -7.055 1.00 0.00 H new ATOM 1035 N SER A 65 4.342 -13.661 -8.699 1.00 0.00 N ATOM 1036 CA SER A 65 3.732 -12.557 -9.432 1.00 0.00 C ATOM 1037 C SER A 65 4.354 -11.226 -9.025 1.00 0.00 C ATOM 1038 O SER A 65 4.934 -11.105 -7.946 1.00 0.00 O ATOM 1039 CB SER A 65 2.223 -12.527 -9.185 1.00 0.00 C ATOM 1040 OG SER A 65 1.683 -13.837 -9.157 1.00 0.00 O ATOM 0 H SER A 65 3.706 -14.154 -8.072 1.00 0.00 H new ATOM 0 HA SER A 65 3.915 -12.712 -10.495 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.016 -12.025 -8.240 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.735 -11.946 -9.968 1.00 0.00 H new ATOM 0 HG SER A 65 1.727 -14.189 -8.244 1.00 0.00 H new ATOM 1046 N THR A 66 4.231 -10.229 -9.896 1.00 0.00 N ATOM 1047 CA THR A 66 4.784 -8.906 -9.626 1.00 0.00 C ATOM 1048 C THR A 66 3.671 -7.883 -9.417 1.00 0.00 C ATOM 1049 O THR A 66 3.058 -7.412 -10.375 1.00 0.00 O ATOM 1050 CB THR A 66 5.689 -8.464 -10.777 1.00 0.00 C ATOM 1051 OG1 THR A 66 6.591 -9.498 -11.131 1.00 0.00 O ATOM 1052 CG2 THR A 66 6.507 -7.232 -10.457 1.00 0.00 C ATOM 0 H THR A 66 3.754 -10.312 -10.794 1.00 0.00 H new ATOM 0 HA THR A 66 5.374 -8.966 -8.711 1.00 0.00 H new ATOM 0 HB THR A 66 5.014 -8.228 -11.600 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.160 -9.197 -11.870 1.00 0.00 H new ATOM 0 HG21 THR A 66 7.126 -6.973 -11.316 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.839 -6.401 -10.228 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.145 -7.433 -9.597 1.00 0.00 H new ATOM 1060 N ILE A 67 3.416 -7.544 -8.157 1.00 0.00 N ATOM 1061 CA ILE A 67 2.379 -6.575 -7.821 1.00 0.00 C ATOM 1062 C ILE A 67 2.973 -5.186 -7.608 1.00 0.00 C ATOM 1063 O ILE A 67 3.987 -5.030 -6.930 1.00 0.00 O ATOM 1064 CB ILE A 67 1.609 -6.996 -6.552 1.00 0.00 C ATOM 1065 CG1 ILE A 67 0.749 -8.229 -6.835 1.00 0.00 C ATOM 1066 CG2 ILE A 67 0.746 -5.848 -6.046 1.00 0.00 C ATOM 1067 CD1 ILE A 67 0.763 -9.247 -5.715 1.00 0.00 C ATOM 0 H ILE A 67 3.913 -7.926 -7.352 1.00 0.00 H new ATOM 0 HA ILE A 67 1.687 -6.544 -8.663 1.00 0.00 H new ATOM 0 HB ILE A 67 2.332 -7.249 -5.777 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.278 -7.912 -7.014 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.100 -8.704 -7.751 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.210 -6.163 -5.151 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.380 -4.994 -5.808 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.029 -5.564 -6.817 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.132 -10.094 -5.985 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.783 -9.593 -5.550 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.384 -8.788 -4.802 1.00 0.00 H new ATOM 1079 N HIS A 68 2.330 -4.179 -8.191 1.00 0.00 N ATOM 1080 CA HIS A 68 2.791 -2.801 -8.065 1.00 0.00 C ATOM 1081 C HIS A 68 2.157 -2.126 -6.853 1.00 0.00 C ATOM 1082 O HIS A 68 0.942 -1.933 -6.803 1.00 0.00 O ATOM 1083 CB HIS A 68 2.459 -2.013 -9.333 1.00 0.00 C ATOM 1084 CG HIS A 68 3.299 -2.393 -10.512 1.00 0.00 C ATOM 1085 ND1 HIS A 68 3.882 -1.468 -11.353 1.00 0.00 N ATOM 1086 CD2 HIS A 68 3.656 -3.609 -10.990 1.00 0.00 C ATOM 1087 CE1 HIS A 68 4.559 -2.098 -12.296 1.00 0.00 C ATOM 1088 NE2 HIS A 68 4.439 -3.398 -12.099 1.00 0.00 N ATOM 0 H HIS A 68 1.488 -4.292 -8.755 1.00 0.00 H new ATOM 0 HA HIS A 68 3.872 -2.816 -7.927 1.00 0.00 H new ATOM 0 HB2 HIS A 68 1.409 -2.166 -9.581 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.588 -0.949 -9.134 1.00 0.00 H new ATOM 0 HD2 HIS A 68 3.377 -4.567 -10.576 1.00 0.00 H new ATOM 0 HE1 HIS A 68 5.116 -1.629 -13.093 1.00 0.00 H new ATOM 0 HE2 HIS A 68 4.859 -4.127 -12.676 1.00 0.00 H new ATOM 1097 N LEU A 69 2.986 -1.774 -5.877 1.00 0.00 N ATOM 1098 CA LEU A 69 2.505 -1.123 -4.664 1.00 0.00 C ATOM 1099 C LEU A 69 2.821 0.369 -4.683 1.00 0.00 C ATOM 1100 O LEU A 69 3.975 0.769 -4.829 1.00 0.00 O ATOM 1101 CB LEU A 69 3.134 -1.773 -3.429 1.00 0.00 C ATOM 1102 CG LEU A 69 2.554 -1.312 -2.090 1.00 0.00 C ATOM 1103 CD1 LEU A 69 2.700 -2.403 -1.041 1.00 0.00 C ATOM 1104 CD2 LEU A 69 3.233 -0.031 -1.629 1.00 0.00 C ATOM 0 H LEU A 69 3.994 -1.928 -5.902 1.00 0.00 H new ATOM 0 HA LEU A 69 1.423 -1.245 -4.621 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.016 -2.854 -3.506 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.204 -1.568 -3.434 1.00 0.00 H new ATOM 0 HG LEU A 69 1.492 -1.108 -2.226 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.282 -2.057 -0.096 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.167 -3.296 -1.368 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.756 -2.639 -0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.809 0.283 -0.675 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.302 -0.208 -1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.076 0.752 -2.371 1.00 0.00 H new ATOM 1116 N VAL A 70 1.785 1.188 -4.531 1.00 0.00 N ATOM 1117 CA VAL A 70 1.950 2.636 -4.528 1.00 0.00 C ATOM 1118 C VAL A 70 1.601 3.224 -3.166 1.00 0.00 C ATOM 1119 O VAL A 70 0.591 2.863 -2.562 1.00 0.00 O ATOM 1120 CB VAL A 70 1.071 3.305 -5.602 1.00 0.00 C ATOM 1121 CG1 VAL A 70 1.538 2.913 -6.995 1.00 0.00 C ATOM 1122 CG2 VAL A 70 -0.391 2.941 -5.397 1.00 0.00 C ATOM 0 H VAL A 70 0.823 0.873 -4.408 1.00 0.00 H new ATOM 0 HA VAL A 70 2.998 2.835 -4.751 1.00 0.00 H new ATOM 0 HB VAL A 70 1.168 4.386 -5.504 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.905 3.395 -7.740 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.571 3.231 -7.135 1.00 0.00 H new ATOM 0 HG13 VAL A 70 1.473 1.831 -7.109 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.997 3.422 -6.165 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.510 1.860 -5.466 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.716 3.280 -4.413 1.00 0.00 H new ATOM 1132 N LEU A 71 2.445 4.132 -2.686 1.00 0.00 N ATOM 1133 CA LEU A 71 2.226 4.770 -1.393 1.00 0.00 C ATOM 1134 C LEU A 71 1.331 5.997 -1.539 1.00 0.00 C ATOM 1135 O LEU A 71 1.752 7.119 -1.256 1.00 0.00 O ATOM 1136 CB LEU A 71 3.562 5.169 -0.765 1.00 0.00 C ATOM 1137 CG LEU A 71 3.650 4.964 0.749 1.00 0.00 C ATOM 1138 CD1 LEU A 71 2.428 5.549 1.438 1.00 0.00 C ATOM 1139 CD2 LEU A 71 3.794 3.486 1.078 1.00 0.00 C ATOM 0 H LEU A 71 3.286 4.442 -3.173 1.00 0.00 H new ATOM 0 HA LEU A 71 1.727 4.054 -0.741 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.357 4.595 -1.241 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.751 6.219 -0.986 1.00 0.00 H new ATOM 0 HG LEU A 71 4.533 5.486 1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.508 5.394 2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.369 6.617 1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.530 5.056 1.066 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.855 3.358 2.159 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.930 2.942 0.697 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.701 3.097 0.615 1.00 0.00 H new