USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 627 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 167:sc= -0.348 (180deg=-1.21) USER MOD Single : A 2 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.18) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -66:sc= -0.783 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -147:sc= -0.318 (180deg=-2.82!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -104:sc= 0.109 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0899 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 27 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0444) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.528 K(o=-0.53,f=-1.5) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -3.1! C(o=-3.1!,f=-6.2!) USER MOD Single : A 41 GLN : amide:sc= -5.86! C(o=-5.9!,f=-13!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.562 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -47:sc= 1.21 USER MOD Single : A 60 ASN : amide:sc= -0.471 X(o=-0.47,f=-0.26) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 39:sc= 0.337 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc=-0.00202 X(o=-0.002,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.588 -5.395 4.542 1.00 0.00 N ATOM 2 CA MET A 1 -12.628 -4.779 5.857 1.00 0.00 C ATOM 3 C MET A 1 -11.808 -3.488 5.884 1.00 0.00 C ATOM 4 O MET A 1 -11.310 -3.044 4.850 1.00 0.00 O ATOM 5 CB MET A 1 -12.075 -5.756 6.896 1.00 0.00 C ATOM 6 CG MET A 1 -10.685 -6.254 6.495 1.00 0.00 C ATOM 7 SD MET A 1 -10.157 -7.551 7.604 1.00 0.00 S ATOM 8 CE MET A 1 -10.549 -8.983 6.613 1.00 0.00 C ATOM 0 H1 MET A 1 -12.958 -6.365 4.602 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.171 -4.842 3.882 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.606 -5.420 4.200 1.00 0.00 H new ATOM 0 HA MET A 1 -13.664 -4.534 6.090 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.023 -5.267 7.869 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.753 -6.603 7.001 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.704 -6.626 5.471 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.973 -5.429 6.521 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.281 -9.888 7.159 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.617 -8.994 6.395 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.989 -8.943 5.679 1.00 0.00 H new ATOM 18 N GLN A 2 -11.695 -2.921 7.075 1.00 0.00 N ATOM 19 CA GLN A 2 -10.944 -1.689 7.250 1.00 0.00 C ATOM 20 C GLN A 2 -9.465 -1.998 7.492 1.00 0.00 C ATOM 21 O GLN A 2 -9.130 -3.033 8.067 1.00 0.00 O ATOM 22 CB GLN A 2 -11.522 -0.851 8.391 1.00 0.00 C ATOM 23 CG GLN A 2 -10.698 0.419 8.612 1.00 0.00 C ATOM 24 CD GLN A 2 -11.586 1.575 9.077 1.00 0.00 C ATOM 25 OE1 GLN A 2 -11.921 2.476 8.325 1.00 0.00 O ATOM 26 NE2 GLN A 2 -11.946 1.501 10.355 1.00 0.00 N ATOM 0 H GLN A 2 -12.111 -3.292 7.929 1.00 0.00 H new ATOM 0 HA GLN A 2 -11.028 -1.103 6.335 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.554 -0.584 8.164 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.540 -1.441 9.307 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.923 0.229 9.355 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.192 0.694 7.687 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -11.630 0.719 10.929 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -12.538 2.226 10.761 1.00 0.00 H new ATOM 35 N ILE A 3 -8.621 -1.083 7.039 1.00 0.00 N ATOM 36 CA ILE A 3 -7.185 -1.246 7.199 1.00 0.00 C ATOM 37 C ILE A 3 -6.553 0.115 7.503 1.00 0.00 C ATOM 38 O ILE A 3 -7.156 1.155 7.242 1.00 0.00 O ATOM 39 CB ILE A 3 -6.585 -1.942 5.976 1.00 0.00 C ATOM 40 CG1 ILE A 3 -6.987 -1.227 4.685 1.00 0.00 C ATOM 41 CG2 ILE A 3 -6.961 -3.425 5.953 1.00 0.00 C ATOM 42 CD1 ILE A 3 -5.851 -0.341 4.173 1.00 0.00 C ATOM 0 H ILE A 3 -8.903 -0.227 6.562 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.967 -1.897 8.046 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.499 -1.886 6.048 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.250 -1.962 3.925 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.875 -0.620 4.863 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.523 -3.898 5.074 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -6.583 -3.910 6.853 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.046 -3.525 5.916 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -6.163 0.156 3.254 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.607 0.408 4.926 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.973 -0.955 3.973 1.00 0.00 H new ATOM 54 N PHE A 4 -5.348 0.063 8.050 1.00 0.00 N ATOM 55 CA PHE A 4 -4.628 1.278 8.392 1.00 0.00 C ATOM 56 C PHE A 4 -3.315 1.375 7.611 1.00 0.00 C ATOM 57 O PHE A 4 -2.332 0.724 7.961 1.00 0.00 O ATOM 58 CB PHE A 4 -4.315 1.206 9.888 1.00 0.00 C ATOM 59 CG PHE A 4 -5.519 1.479 10.790 1.00 0.00 C ATOM 60 CD1 PHE A 4 -6.654 0.742 10.649 1.00 0.00 C ATOM 61 CD2 PHE A 4 -5.456 2.456 11.732 1.00 0.00 C ATOM 62 CE1 PHE A 4 -7.774 0.995 11.487 1.00 0.00 C ATOM 63 CE2 PHE A 4 -6.574 2.711 12.570 1.00 0.00 C ATOM 64 CZ PHE A 4 -7.710 1.974 12.429 1.00 0.00 C ATOM 0 H PHE A 4 -4.852 -0.802 8.265 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.232 2.151 8.145 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.918 0.217 10.118 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.530 1.926 10.119 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.704 -0.035 9.901 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.554 3.040 11.844 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.675 0.410 11.376 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.523 3.488 13.318 1.00 0.00 H new ATOM 0 HZ PHE A 4 -8.561 2.167 13.066 1.00 0.00 H new ATOM 74 N VAL A 5 -3.342 2.193 6.570 1.00 0.00 N ATOM 75 CA VAL A 5 -2.166 2.384 5.738 1.00 0.00 C ATOM 76 C VAL A 5 -1.337 3.543 6.293 1.00 0.00 C ATOM 77 O VAL A 5 -1.886 4.502 6.833 1.00 0.00 O ATOM 78 CB VAL A 5 -2.585 2.593 4.281 1.00 0.00 C ATOM 79 CG1 VAL A 5 -3.250 3.958 4.092 1.00 0.00 C ATOM 80 CG2 VAL A 5 -1.391 2.429 3.339 1.00 0.00 C ATOM 0 H VAL A 5 -4.160 2.731 6.283 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.536 1.495 5.757 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.318 1.826 4.029 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.538 4.081 3.048 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.137 4.021 4.723 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.550 4.746 4.370 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.716 2.582 2.310 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.625 3.163 3.591 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.980 1.425 3.444 1.00 0.00 H new ATOM 90 N LYS A 6 -0.026 3.415 6.142 1.00 0.00 N ATOM 91 CA LYS A 6 0.886 4.440 6.622 1.00 0.00 C ATOM 92 C LYS A 6 1.450 5.213 5.429 1.00 0.00 C ATOM 93 O LYS A 6 1.629 4.652 4.350 1.00 0.00 O ATOM 94 CB LYS A 6 1.960 3.823 7.520 1.00 0.00 C ATOM 95 CG LYS A 6 1.935 4.452 8.915 1.00 0.00 C ATOM 96 CD LYS A 6 3.323 4.414 9.558 1.00 0.00 C ATOM 97 CE LYS A 6 3.529 5.610 10.489 1.00 0.00 C ATOM 98 NZ LYS A 6 4.745 5.423 11.312 1.00 0.00 N ATOM 0 H LYS A 6 0.426 2.618 5.694 1.00 0.00 H new ATOM 0 HA LYS A 6 0.357 5.160 7.247 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.800 2.748 7.599 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.942 3.967 7.070 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.590 5.484 8.847 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.223 3.919 9.546 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.442 3.487 10.119 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.088 4.417 8.781 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.617 6.524 9.902 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.660 5.729 11.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.870 6.244 11.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.647 4.561 11.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.574 5.332 10.691 1.00 0.00 H new ATOM 112 N THR A 7 1.717 6.490 5.665 1.00 0.00 N ATOM 113 CA THR A 7 2.257 7.346 4.623 1.00 0.00 C ATOM 114 C THR A 7 3.769 7.508 4.797 1.00 0.00 C ATOM 115 O THR A 7 4.299 7.289 5.884 1.00 0.00 O ATOM 116 CB THR A 7 1.497 8.673 4.659 1.00 0.00 C ATOM 117 OG1 THR A 7 1.946 9.298 5.857 1.00 0.00 O ATOM 118 CG2 THR A 7 -0.005 8.482 4.878 1.00 0.00 C ATOM 0 H THR A 7 1.569 6.952 6.562 1.00 0.00 H new ATOM 0 HA THR A 7 2.119 6.903 3.637 1.00 0.00 H new ATOM 0 HB THR A 7 1.662 9.211 3.725 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.640 8.780 6.631 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.497 9.455 4.895 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.417 7.881 4.067 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.173 7.974 5.828 1.00 0.00 H new ATOM 126 N LEU A 8 4.421 7.890 3.708 1.00 0.00 N ATOM 127 CA LEU A 8 5.860 8.083 3.726 1.00 0.00 C ATOM 128 C LEU A 8 6.200 9.267 4.634 1.00 0.00 C ATOM 129 O LEU A 8 7.371 9.539 4.892 1.00 0.00 O ATOM 130 CB LEU A 8 6.399 8.226 2.302 1.00 0.00 C ATOM 131 CG LEU A 8 7.775 7.610 2.040 1.00 0.00 C ATOM 132 CD1 LEU A 8 7.667 6.401 1.108 1.00 0.00 C ATOM 133 CD2 LEU A 8 8.754 8.659 1.507 1.00 0.00 C ATOM 0 H LEU A 8 3.978 8.071 2.807 1.00 0.00 H new ATOM 0 HA LEU A 8 6.357 7.207 4.144 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.683 7.772 1.617 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.446 9.287 2.057 1.00 0.00 H new ATOM 0 HG LEU A 8 8.174 7.250 2.989 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.659 5.983 0.938 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.028 5.646 1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.237 6.713 0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.724 8.194 1.329 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.373 9.071 0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.864 9.459 2.239 1.00 0.00 H new ATOM 145 N THR A 9 5.154 9.938 5.094 1.00 0.00 N ATOM 146 CA THR A 9 5.327 11.086 5.968 1.00 0.00 C ATOM 147 C THR A 9 5.127 10.679 7.429 1.00 0.00 C ATOM 148 O THR A 9 5.287 11.497 8.332 1.00 0.00 O ATOM 149 CB THR A 9 4.365 12.181 5.505 1.00 0.00 C ATOM 150 OG1 THR A 9 4.812 12.505 4.191 1.00 0.00 O ATOM 151 CG2 THR A 9 4.539 13.484 6.289 1.00 0.00 C ATOM 0 H THR A 9 4.184 9.709 4.878 1.00 0.00 H new ATOM 0 HA THR A 9 6.342 11.479 5.909 1.00 0.00 H new ATOM 0 HB THR A 9 3.339 11.829 5.609 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.241 13.207 3.815 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.832 14.228 5.920 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.353 13.300 7.347 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.556 13.854 6.159 1.00 0.00 H new ATOM 159 N GLY A 10 4.780 9.413 7.615 1.00 0.00 N ATOM 160 CA GLY A 10 4.557 8.888 8.950 1.00 0.00 C ATOM 161 C GLY A 10 3.095 9.060 9.371 1.00 0.00 C ATOM 162 O GLY A 10 2.696 8.610 10.444 1.00 0.00 O ATOM 0 H GLY A 10 4.648 8.737 6.863 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.825 7.832 8.979 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.206 9.401 9.659 1.00 0.00 H new ATOM 166 N LYS A 11 2.337 9.715 8.504 1.00 0.00 N ATOM 167 CA LYS A 11 0.929 9.953 8.771 1.00 0.00 C ATOM 168 C LYS A 11 0.154 8.643 8.606 1.00 0.00 C ATOM 169 O LYS A 11 0.530 7.794 7.799 1.00 0.00 O ATOM 170 CB LYS A 11 0.403 11.094 7.898 1.00 0.00 C ATOM 171 CG LYS A 11 0.576 12.444 8.596 1.00 0.00 C ATOM 172 CD LYS A 11 2.057 12.771 8.797 1.00 0.00 C ATOM 173 CE LYS A 11 2.292 14.282 8.782 1.00 0.00 C ATOM 174 NZ LYS A 11 1.779 14.874 7.526 1.00 0.00 N ATOM 0 H LYS A 11 2.672 10.088 7.616 1.00 0.00 H new ATOM 0 HA LYS A 11 0.787 10.280 9.801 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.934 11.102 6.946 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.651 10.929 7.674 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.104 13.227 8.003 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.070 12.426 9.561 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.399 12.356 9.745 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.647 12.300 8.011 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.796 14.742 9.637 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.357 14.491 8.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.376 15.681 7.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.799 14.158 6.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.802 15.199 7.669 1.00 0.00 H new ATOM 188 N THR A 12 -0.913 8.522 9.381 1.00 0.00 N ATOM 189 CA THR A 12 -1.744 7.331 9.330 1.00 0.00 C ATOM 190 C THR A 12 -3.036 7.615 8.562 1.00 0.00 C ATOM 191 O THR A 12 -3.763 8.552 8.890 1.00 0.00 O ATOM 192 CB THR A 12 -1.980 6.858 10.765 1.00 0.00 C ATOM 193 OG1 THR A 12 -0.700 6.408 11.198 1.00 0.00 O ATOM 194 CG2 THR A 12 -2.858 5.607 10.833 1.00 0.00 C ATOM 0 H THR A 12 -1.222 9.229 10.048 1.00 0.00 H new ATOM 0 HA THR A 12 -1.250 6.526 8.785 1.00 0.00 H new ATOM 0 HB THR A 12 -2.446 7.659 11.338 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.762 6.085 12.121 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.994 5.314 11.874 1.00 0.00 H new ATOM 0 HG22 THR A 12 -3.829 5.819 10.386 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.377 4.795 10.287 1.00 0.00 H new ATOM 202 N ILE A 13 -3.283 6.789 7.557 1.00 0.00 N ATOM 203 CA ILE A 13 -4.475 6.939 6.741 1.00 0.00 C ATOM 204 C ILE A 13 -5.250 5.620 6.729 1.00 0.00 C ATOM 205 O ILE A 13 -4.749 4.606 6.246 1.00 0.00 O ATOM 206 CB ILE A 13 -4.109 7.449 5.346 1.00 0.00 C ATOM 207 CG1 ILE A 13 -3.912 8.967 5.350 1.00 0.00 C ATOM 208 CG2 ILE A 13 -5.146 7.009 4.311 1.00 0.00 C ATOM 209 CD1 ILE A 13 -3.086 9.417 4.144 1.00 0.00 C ATOM 0 H ILE A 13 -2.678 6.013 7.289 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.136 7.693 7.168 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.157 7.002 5.059 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.882 9.463 5.336 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.413 9.270 6.270 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.861 7.385 3.328 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.193 5.920 4.283 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.123 7.408 4.583 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.961 10.500 4.172 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.107 8.938 4.174 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.600 9.134 3.225 1.00 0.00 H new ATOM 221 N THR A 14 -6.460 5.676 7.267 1.00 0.00 N ATOM 222 CA THR A 14 -7.308 4.498 7.324 1.00 0.00 C ATOM 223 C THR A 14 -8.273 4.478 6.137 1.00 0.00 C ATOM 224 O THR A 14 -8.759 5.523 5.709 1.00 0.00 O ATOM 225 CB THR A 14 -8.015 4.491 8.682 1.00 0.00 C ATOM 226 OG1 THR A 14 -6.983 4.805 9.613 1.00 0.00 O ATOM 227 CG2 THR A 14 -8.476 3.090 9.094 1.00 0.00 C ATOM 0 H THR A 14 -6.873 6.519 7.667 1.00 0.00 H new ATOM 0 HA THR A 14 -6.721 3.583 7.241 1.00 0.00 H new ATOM 0 HB THR A 14 -8.874 5.161 8.648 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.716 3.993 10.091 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.971 3.140 10.064 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.173 2.703 8.351 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.613 2.428 9.161 1.00 0.00 H new ATOM 235 N LEU A 15 -8.521 3.275 5.638 1.00 0.00 N ATOM 236 CA LEU A 15 -9.419 3.104 4.509 1.00 0.00 C ATOM 237 C LEU A 15 -10.308 1.883 4.749 1.00 0.00 C ATOM 238 O LEU A 15 -9.824 0.829 5.159 1.00 0.00 O ATOM 239 CB LEU A 15 -8.627 3.040 3.200 1.00 0.00 C ATOM 240 CG LEU A 15 -9.209 3.828 2.026 1.00 0.00 C ATOM 241 CD1 LEU A 15 -10.442 3.127 1.452 1.00 0.00 C ATOM 242 CD2 LEU A 15 -9.508 5.274 2.429 1.00 0.00 C ATOM 0 H LEU A 15 -8.115 2.410 5.995 1.00 0.00 H new ATOM 0 HA LEU A 15 -10.080 3.966 4.414 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.617 3.404 3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.539 1.995 2.902 1.00 0.00 H new ATOM 0 HG LEU A 15 -8.460 3.863 1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.836 3.708 0.618 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.165 2.133 1.102 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.204 3.040 2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.921 5.812 1.575 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.229 5.282 3.246 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.587 5.759 2.753 1.00 0.00 H new ATOM 254 N GLU A 16 -11.593 2.065 4.485 1.00 0.00 N ATOM 255 CA GLU A 16 -12.555 0.991 4.668 1.00 0.00 C ATOM 256 C GLU A 16 -12.893 0.346 3.323 1.00 0.00 C ATOM 257 O GLU A 16 -13.388 1.015 2.416 1.00 0.00 O ATOM 258 CB GLU A 16 -13.818 1.499 5.366 1.00 0.00 C ATOM 259 CG GLU A 16 -14.817 0.362 5.586 1.00 0.00 C ATOM 260 CD GLU A 16 -16.245 0.820 5.284 1.00 0.00 C ATOM 261 OE1 GLU A 16 -16.433 1.415 4.200 1.00 0.00 O ATOM 262 OE2 GLU A 16 -17.117 0.566 6.142 1.00 0.00 O ATOM 0 H GLU A 16 -11.991 2.941 4.146 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.106 0.233 5.309 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -13.553 1.946 6.324 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -14.280 2.283 4.765 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -14.559 -0.482 4.946 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -14.754 0.012 6.616 1.00 0.00 H new ATOM 269 N VAL A 17 -12.614 -0.946 3.234 1.00 0.00 N ATOM 270 CA VAL A 17 -12.882 -1.688 2.015 1.00 0.00 C ATOM 271 C VAL A 17 -13.426 -3.072 2.374 1.00 0.00 C ATOM 272 O VAL A 17 -13.636 -3.374 3.548 1.00 0.00 O ATOM 273 CB VAL A 17 -11.620 -1.748 1.150 1.00 0.00 C ATOM 274 CG1 VAL A 17 -11.124 -0.341 0.808 1.00 0.00 C ATOM 275 CG2 VAL A 17 -10.524 -2.565 1.835 1.00 0.00 C ATOM 0 H VAL A 17 -12.205 -1.498 3.988 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.644 -1.183 1.421 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.876 -2.249 0.217 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.227 -0.411 0.193 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -11.899 0.195 0.260 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -10.893 0.197 1.727 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.639 -2.592 1.199 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.271 -2.105 2.790 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.880 -3.581 2.004 1.00 0.00 H new ATOM 285 N GLU A 18 -13.638 -3.876 1.343 1.00 0.00 N ATOM 286 CA GLU A 18 -14.153 -5.221 1.535 1.00 0.00 C ATOM 287 C GLU A 18 -13.051 -6.252 1.289 1.00 0.00 C ATOM 288 O GLU A 18 -12.060 -5.960 0.620 1.00 0.00 O ATOM 289 CB GLU A 18 -15.359 -5.480 0.630 1.00 0.00 C ATOM 290 CG GLU A 18 -16.670 -5.333 1.405 1.00 0.00 C ATOM 291 CD GLU A 18 -17.510 -6.607 1.310 1.00 0.00 C ATOM 292 OE1 GLU A 18 -18.175 -6.772 0.265 1.00 0.00 O ATOM 293 OE2 GLU A 18 -17.468 -7.389 2.285 1.00 0.00 O ATOM 0 H GLU A 18 -13.462 -3.622 0.371 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.488 -5.317 2.568 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -15.347 -4.781 -0.206 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.293 -6.483 0.208 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -16.455 -5.112 2.451 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -17.237 -4.489 1.011 1.00 0.00 H new ATOM 300 N PRO A 19 -13.265 -7.469 1.858 1.00 0.00 N ATOM 301 CA PRO A 19 -12.301 -8.545 1.708 1.00 0.00 C ATOM 302 C PRO A 19 -12.369 -9.151 0.305 1.00 0.00 C ATOM 303 O PRO A 19 -11.457 -9.861 -0.114 1.00 0.00 O ATOM 304 CB PRO A 19 -12.649 -9.541 2.802 1.00 0.00 C ATOM 305 CG PRO A 19 -14.071 -9.215 3.225 1.00 0.00 C ATOM 306 CD PRO A 19 -14.426 -7.851 2.657 1.00 0.00 C ATOM 0 HA PRO A 19 -11.271 -8.204 1.811 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.576 -10.565 2.436 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.961 -9.453 3.643 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.762 -9.973 2.857 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -14.154 -9.209 4.312 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.328 -7.899 2.047 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.616 -7.129 3.451 1.00 0.00 H new ATOM 314 N SER A 20 -13.460 -8.847 -0.384 1.00 0.00 N ATOM 315 CA SER A 20 -13.660 -9.352 -1.732 1.00 0.00 C ATOM 316 C SER A 20 -13.052 -8.384 -2.748 1.00 0.00 C ATOM 317 O SER A 20 -12.722 -8.779 -3.866 1.00 0.00 O ATOM 318 CB SER A 20 -15.146 -9.566 -2.025 1.00 0.00 C ATOM 319 OG SER A 20 -15.416 -10.891 -2.473 1.00 0.00 O ATOM 0 H SER A 20 -14.215 -8.257 -0.034 1.00 0.00 H new ATOM 0 HA SER A 20 -13.159 -10.317 -1.814 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.726 -9.362 -1.125 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.472 -8.854 -2.783 1.00 0.00 H new ATOM 0 HG SER A 20 -16.375 -10.988 -2.648 1.00 0.00 H new ATOM 325 N ASP A 21 -12.923 -7.136 -2.326 1.00 0.00 N ATOM 326 CA ASP A 21 -12.361 -6.108 -3.185 1.00 0.00 C ATOM 327 C ASP A 21 -10.898 -6.441 -3.482 1.00 0.00 C ATOM 328 O ASP A 21 -10.210 -7.029 -2.648 1.00 0.00 O ATOM 329 CB ASP A 21 -12.406 -4.737 -2.509 1.00 0.00 C ATOM 330 CG ASP A 21 -13.778 -4.327 -1.970 1.00 0.00 C ATOM 331 OD1 ASP A 21 -14.755 -5.028 -2.312 1.00 0.00 O ATOM 332 OD2 ASP A 21 -13.820 -3.321 -1.228 1.00 0.00 O ATOM 0 H ASP A 21 -13.198 -6.812 -1.399 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.951 -6.077 -4.101 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.692 -4.731 -1.685 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.074 -3.985 -3.224 1.00 0.00 H new ATOM 337 N THR A 22 -10.464 -6.051 -4.671 1.00 0.00 N ATOM 338 CA THR A 22 -9.094 -6.301 -5.088 1.00 0.00 C ATOM 339 C THR A 22 -8.174 -5.185 -4.589 1.00 0.00 C ATOM 340 O THR A 22 -8.645 -4.148 -4.124 1.00 0.00 O ATOM 341 CB THR A 22 -9.085 -6.462 -6.609 1.00 0.00 C ATOM 342 OG1 THR A 22 -10.047 -5.515 -7.065 1.00 0.00 O ATOM 343 CG2 THR A 22 -9.648 -7.812 -7.058 1.00 0.00 C ATOM 0 H THR A 22 -11.037 -5.563 -5.360 1.00 0.00 H new ATOM 0 HA THR A 22 -8.707 -7.220 -4.648 1.00 0.00 H new ATOM 0 HB THR A 22 -8.066 -6.353 -6.979 1.00 0.00 H new ATOM 0 HG1 THR A 22 -10.104 -5.551 -8.043 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.619 -7.875 -8.146 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.048 -8.616 -6.632 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.679 -7.908 -6.717 1.00 0.00 H new ATOM 351 N ILE A 23 -6.878 -5.436 -4.702 1.00 0.00 N ATOM 352 CA ILE A 23 -5.887 -4.466 -4.268 1.00 0.00 C ATOM 353 C ILE A 23 -6.045 -3.182 -5.085 1.00 0.00 C ATOM 354 O ILE A 23 -5.849 -2.084 -4.566 1.00 0.00 O ATOM 355 CB ILE A 23 -4.482 -5.069 -4.336 1.00 0.00 C ATOM 356 CG1 ILE A 23 -4.279 -6.113 -3.237 1.00 0.00 C ATOM 357 CG2 ILE A 23 -3.414 -3.974 -4.291 1.00 0.00 C ATOM 358 CD1 ILE A 23 -4.440 -5.487 -1.849 1.00 0.00 C ATOM 0 H ILE A 23 -6.491 -6.297 -5.088 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.045 -4.201 -3.223 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.377 -5.584 -5.291 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.999 -6.922 -3.361 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.286 -6.554 -3.328 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.425 -4.429 -4.341 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.547 -3.301 -5.138 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.509 -3.411 -3.362 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.291 -6.251 -1.086 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.702 -4.695 -1.719 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.442 -5.069 -1.753 1.00 0.00 H new ATOM 370 N GLU A 24 -6.399 -3.362 -6.350 1.00 0.00 N ATOM 371 CA GLU A 24 -6.585 -2.232 -7.242 1.00 0.00 C ATOM 372 C GLU A 24 -7.807 -1.415 -6.817 1.00 0.00 C ATOM 373 O GLU A 24 -7.803 -0.189 -6.913 1.00 0.00 O ATOM 374 CB GLU A 24 -6.715 -2.696 -8.695 1.00 0.00 C ATOM 375 CG GLU A 24 -7.822 -3.741 -8.839 1.00 0.00 C ATOM 376 CD GLU A 24 -9.007 -3.180 -9.630 1.00 0.00 C ATOM 377 OE1 GLU A 24 -8.901 -3.163 -10.875 1.00 0.00 O ATOM 378 OE2 GLU A 24 -9.990 -2.781 -8.970 1.00 0.00 O ATOM 0 H GLU A 24 -6.562 -4.274 -6.777 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.704 -1.593 -7.176 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.931 -1.841 -9.336 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.767 -3.116 -9.033 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.430 -4.624 -9.343 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.157 -4.059 -7.852 1.00 0.00 H new ATOM 385 N ASN A 25 -8.824 -2.128 -6.355 1.00 0.00 N ATOM 386 CA ASN A 25 -10.050 -1.485 -5.914 1.00 0.00 C ATOM 387 C ASN A 25 -9.761 -0.646 -4.667 1.00 0.00 C ATOM 388 O ASN A 25 -10.233 0.484 -4.551 1.00 0.00 O ATOM 389 CB ASN A 25 -11.115 -2.521 -5.550 1.00 0.00 C ATOM 390 CG ASN A 25 -12.499 -1.874 -5.456 1.00 0.00 C ATOM 391 OD1 ASN A 25 -12.820 -1.169 -4.513 1.00 0.00 O ATOM 392 ND2 ASN A 25 -13.297 -2.153 -6.483 1.00 0.00 N ATOM 0 H ASN A 25 -8.824 -3.145 -6.277 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.416 -0.862 -6.730 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.129 -3.312 -6.300 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.863 -2.989 -4.598 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -14.242 -1.769 -6.514 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.964 -2.751 -7.240 1.00 0.00 H new ATOM 399 N VAL A 26 -8.986 -1.231 -3.765 1.00 0.00 N ATOM 400 CA VAL A 26 -8.628 -0.552 -2.532 1.00 0.00 C ATOM 401 C VAL A 26 -7.792 0.687 -2.861 1.00 0.00 C ATOM 402 O VAL A 26 -8.027 1.762 -2.311 1.00 0.00 O ATOM 403 CB VAL A 26 -7.914 -1.522 -1.589 1.00 0.00 C ATOM 404 CG1 VAL A 26 -7.552 -0.837 -0.269 1.00 0.00 C ATOM 405 CG2 VAL A 26 -8.761 -2.772 -1.344 1.00 0.00 C ATOM 0 H VAL A 26 -8.596 -2.168 -3.864 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.522 -0.211 -2.010 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.987 -1.835 -2.069 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.046 -1.548 0.383 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.892 0.008 -0.466 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.460 -0.482 0.218 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.230 -3.445 -0.670 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.712 -2.485 -0.895 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.945 -3.278 -2.292 1.00 0.00 H new ATOM 415 N LYS A 27 -6.835 0.495 -3.755 1.00 0.00 N ATOM 416 CA LYS A 27 -5.963 1.583 -4.165 1.00 0.00 C ATOM 417 C LYS A 27 -6.795 2.667 -4.852 1.00 0.00 C ATOM 418 O LYS A 27 -6.573 3.857 -4.634 1.00 0.00 O ATOM 419 CB LYS A 27 -4.812 1.054 -5.022 1.00 0.00 C ATOM 420 CG LYS A 27 -3.550 0.851 -4.181 1.00 0.00 C ATOM 421 CD LYS A 27 -2.990 -0.561 -4.367 1.00 0.00 C ATOM 422 CE LYS A 27 -1.905 -0.583 -5.445 1.00 0.00 C ATOM 423 NZ LYS A 27 -2.506 -0.451 -6.790 1.00 0.00 N ATOM 0 H LYS A 27 -6.643 -0.399 -4.208 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.495 2.044 -3.295 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.102 0.110 -5.483 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.605 1.754 -5.831 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.797 1.586 -4.466 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.778 1.020 -3.129 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.578 -0.920 -3.424 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.795 -1.242 -4.643 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.199 0.230 -5.275 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.341 -1.514 -5.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.765 -0.553 -7.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.224 -1.191 -6.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.952 0.484 -6.881 1.00 0.00 H new ATOM 437 N ALA A 28 -7.737 2.216 -5.668 1.00 0.00 N ATOM 438 CA ALA A 28 -8.604 3.133 -6.388 1.00 0.00 C ATOM 439 C ALA A 28 -9.356 4.012 -5.387 1.00 0.00 C ATOM 440 O ALA A 28 -9.481 5.219 -5.587 1.00 0.00 O ATOM 441 CB ALA A 28 -9.549 2.338 -7.292 1.00 0.00 C ATOM 0 H ALA A 28 -7.918 1.228 -5.846 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.018 3.792 -7.028 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.200 3.026 -7.832 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.966 1.755 -8.005 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.155 1.667 -6.684 1.00 0.00 H new ATOM 447 N LYS A 29 -9.836 3.372 -4.331 1.00 0.00 N ATOM 448 CA LYS A 29 -10.572 4.080 -3.298 1.00 0.00 C ATOM 449 C LYS A 29 -9.647 5.093 -2.622 1.00 0.00 C ATOM 450 O LYS A 29 -10.052 6.220 -2.342 1.00 0.00 O ATOM 451 CB LYS A 29 -11.215 3.090 -2.325 1.00 0.00 C ATOM 452 CG LYS A 29 -12.681 3.447 -2.068 1.00 0.00 C ATOM 453 CD LYS A 29 -13.341 2.425 -1.142 1.00 0.00 C ATOM 454 CE LYS A 29 -14.487 3.059 -0.351 1.00 0.00 C ATOM 455 NZ LYS A 29 -15.726 3.080 -1.160 1.00 0.00 N ATOM 0 H LYS A 29 -9.729 2.371 -4.169 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.396 4.643 -3.736 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.149 2.081 -2.731 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.666 3.092 -1.383 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.744 4.440 -1.623 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.220 3.487 -3.014 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.719 1.588 -1.729 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.599 2.021 -0.453 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.656 2.499 0.569 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.218 4.075 -0.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.494 3.513 -0.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.566 3.634 -2.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.990 2.107 -1.416 1.00 0.00 H new ATOM 469 N ILE A 30 -8.420 4.656 -2.378 1.00 0.00 N ATOM 470 CA ILE A 30 -7.433 5.511 -1.741 1.00 0.00 C ATOM 471 C ILE A 30 -7.129 6.701 -2.653 1.00 0.00 C ATOM 472 O ILE A 30 -6.864 7.803 -2.176 1.00 0.00 O ATOM 473 CB ILE A 30 -6.194 4.702 -1.352 1.00 0.00 C ATOM 474 CG1 ILE A 30 -6.529 3.669 -0.275 1.00 0.00 C ATOM 475 CG2 ILE A 30 -5.049 5.624 -0.928 1.00 0.00 C ATOM 476 CD1 ILE A 30 -5.522 2.517 -0.287 1.00 0.00 C ATOM 0 H ILE A 30 -8.087 3.720 -2.610 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.826 5.916 -0.809 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.855 4.152 -2.230 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.529 4.147 0.705 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.534 3.280 -0.439 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.180 5.024 -0.657 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.789 6.285 -1.755 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.361 6.220 -0.070 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.784 1.797 0.488 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.542 2.026 -1.260 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.522 2.906 -0.098 1.00 0.00 H new ATOM 488 N GLN A 31 -7.179 6.438 -3.951 1.00 0.00 N ATOM 489 CA GLN A 31 -6.913 7.474 -4.935 1.00 0.00 C ATOM 490 C GLN A 31 -7.987 8.560 -4.866 1.00 0.00 C ATOM 491 O GLN A 31 -7.674 9.739 -4.704 1.00 0.00 O ATOM 492 CB GLN A 31 -6.821 6.882 -6.343 1.00 0.00 C ATOM 493 CG GLN A 31 -6.781 7.986 -7.401 1.00 0.00 C ATOM 494 CD GLN A 31 -6.933 7.404 -8.808 1.00 0.00 C ATOM 495 OE1 GLN A 31 -7.579 6.392 -9.022 1.00 0.00 O ATOM 496 NE2 GLN A 31 -6.303 8.099 -9.751 1.00 0.00 N ATOM 0 H GLN A 31 -7.400 5.523 -4.344 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.950 7.929 -4.704 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.927 6.264 -6.424 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.676 6.231 -6.524 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.579 8.704 -7.213 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.839 8.530 -7.329 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.780 8.938 -9.502 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.343 7.793 -10.723 1.00 0.00 H new ATOM 505 N ASP A 32 -9.233 8.125 -4.993 1.00 0.00 N ATOM 506 CA ASP A 32 -10.356 9.046 -4.948 1.00 0.00 C ATOM 507 C ASP A 32 -10.362 9.769 -3.600 1.00 0.00 C ATOM 508 O ASP A 32 -10.822 10.906 -3.503 1.00 0.00 O ATOM 509 CB ASP A 32 -11.684 8.303 -5.093 1.00 0.00 C ATOM 510 CG ASP A 32 -12.670 8.927 -6.082 1.00 0.00 C ATOM 511 OD1 ASP A 32 -13.033 10.101 -5.857 1.00 0.00 O ATOM 512 OD2 ASP A 32 -13.039 8.215 -7.041 1.00 0.00 O ATOM 0 H ASP A 32 -9.489 7.147 -5.127 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.247 9.752 -5.772 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.478 7.279 -5.406 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.161 8.247 -4.114 1.00 0.00 H new ATOM 517 N LYS A 33 -9.847 9.079 -2.592 1.00 0.00 N ATOM 518 CA LYS A 33 -9.789 9.641 -1.253 1.00 0.00 C ATOM 519 C LYS A 33 -8.676 10.690 -1.193 1.00 0.00 C ATOM 520 O LYS A 33 -8.950 11.889 -1.178 1.00 0.00 O ATOM 521 CB LYS A 33 -9.643 8.529 -0.211 1.00 0.00 C ATOM 522 CG LYS A 33 -10.875 8.460 0.693 1.00 0.00 C ATOM 523 CD LYS A 33 -11.801 7.317 0.270 1.00 0.00 C ATOM 524 CE LYS A 33 -13.266 7.674 0.529 1.00 0.00 C ATOM 525 NZ LYS A 33 -14.109 7.268 -0.617 1.00 0.00 N ATOM 0 H LYS A 33 -9.466 8.136 -2.676 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.722 10.151 -1.013 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.502 7.572 -0.713 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.753 8.707 0.393 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -10.564 8.317 1.728 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.415 9.406 0.650 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.657 7.101 -0.789 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.541 6.412 0.819 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.612 7.179 1.436 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -13.361 8.747 0.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -15.100 7.518 -0.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -13.788 7.760 -1.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -14.032 6.240 -0.758 1.00 0.00 H new ATOM 539 N GLU A 34 -7.446 10.200 -1.161 1.00 0.00 N ATOM 540 CA GLU A 34 -6.292 11.081 -1.103 1.00 0.00 C ATOM 541 C GLU A 34 -6.171 11.885 -2.399 1.00 0.00 C ATOM 542 O GLU A 34 -6.227 13.114 -2.379 1.00 0.00 O ATOM 543 CB GLU A 34 -5.011 10.288 -0.830 1.00 0.00 C ATOM 544 CG GLU A 34 -4.224 10.903 0.330 1.00 0.00 C ATOM 545 CD GLU A 34 -3.893 12.370 0.052 1.00 0.00 C ATOM 546 OE1 GLU A 34 -2.959 12.599 -0.747 1.00 0.00 O ATOM 547 OE2 GLU A 34 -4.582 13.229 0.642 1.00 0.00 O ATOM 0 H GLU A 34 -7.223 9.205 -1.174 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.434 11.778 -0.277 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.262 9.253 -0.596 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.391 10.271 -1.726 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.805 10.826 1.249 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.303 10.342 0.487 1.00 0.00 H new ATOM 554 N GLY A 35 -6.010 11.158 -3.496 1.00 0.00 N ATOM 555 CA GLY A 35 -5.881 11.790 -4.799 1.00 0.00 C ATOM 556 C GLY A 35 -4.674 11.238 -5.559 1.00 0.00 C ATOM 557 O GLY A 35 -4.449 11.591 -6.715 1.00 0.00 O ATOM 0 H GLY A 35 -5.966 10.139 -3.509 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.788 11.623 -5.380 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.776 12.868 -4.676 1.00 0.00 H new ATOM 561 N ILE A 36 -3.928 10.380 -4.878 1.00 0.00 N ATOM 562 CA ILE A 36 -2.749 9.775 -5.475 1.00 0.00 C ATOM 563 C ILE A 36 -3.179 8.638 -6.404 1.00 0.00 C ATOM 564 O ILE A 36 -4.125 7.911 -6.103 1.00 0.00 O ATOM 565 CB ILE A 36 -1.760 9.344 -4.389 1.00 0.00 C ATOM 566 CG1 ILE A 36 -1.256 10.551 -3.595 1.00 0.00 C ATOM 567 CG2 ILE A 36 -0.612 8.530 -4.987 1.00 0.00 C ATOM 568 CD1 ILE A 36 -1.280 10.266 -2.093 1.00 0.00 C ATOM 0 H ILE A 36 -4.117 10.089 -3.919 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.216 10.502 -6.088 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.284 8.695 -3.687 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.241 10.798 -3.906 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.876 11.420 -3.814 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.077 8.236 -4.195 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.011 7.638 -5.470 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.082 9.135 -5.723 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.917 11.139 -1.551 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.300 10.044 -1.781 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.639 9.412 -1.875 1.00 0.00 H new ATOM 580 N PRO A 37 -2.444 8.516 -7.541 1.00 0.00 N ATOM 581 CA PRO A 37 -2.739 7.478 -8.515 1.00 0.00 C ATOM 582 C PRO A 37 -2.265 6.110 -8.020 1.00 0.00 C ATOM 583 O PRO A 37 -1.320 6.023 -7.237 1.00 0.00 O ATOM 584 CB PRO A 37 -2.040 7.924 -9.788 1.00 0.00 C ATOM 585 CG PRO A 37 -1.000 8.947 -9.357 1.00 0.00 C ATOM 586 CD PRO A 37 -1.316 9.358 -7.928 1.00 0.00 C ATOM 0 HA PRO A 37 -3.808 7.353 -8.686 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.571 7.079 -10.292 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.750 8.361 -10.491 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.002 8.523 -9.420 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.021 9.814 -10.017 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.460 9.199 -7.272 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.572 10.416 -7.868 1.00 0.00 H new ATOM 594 N PRO A 38 -2.960 5.049 -8.509 1.00 0.00 N ATOM 595 CA PRO A 38 -2.620 3.690 -8.125 1.00 0.00 C ATOM 596 C PRO A 38 -1.345 3.224 -8.831 1.00 0.00 C ATOM 597 O PRO A 38 -0.705 2.267 -8.395 1.00 0.00 O ATOM 598 CB PRO A 38 -3.840 2.860 -8.492 1.00 0.00 C ATOM 599 CG PRO A 38 -4.628 3.696 -9.487 1.00 0.00 C ATOM 600 CD PRO A 38 -4.085 5.115 -9.438 1.00 0.00 C ATOM 0 HA PRO A 38 -2.397 3.596 -7.062 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.546 1.906 -8.930 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.439 2.635 -7.610 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.531 3.285 -10.492 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.689 3.685 -9.239 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.765 5.451 -10.424 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.843 5.818 -9.092 1.00 0.00 H new ATOM 608 N ASP A 39 -1.015 3.920 -9.908 1.00 0.00 N ATOM 609 CA ASP A 39 0.172 3.589 -10.679 1.00 0.00 C ATOM 610 C ASP A 39 1.417 3.904 -9.848 1.00 0.00 C ATOM 611 O ASP A 39 2.367 3.123 -9.826 1.00 0.00 O ATOM 612 CB ASP A 39 0.241 4.414 -11.965 1.00 0.00 C ATOM 613 CG ASP A 39 -1.066 4.486 -12.758 1.00 0.00 C ATOM 614 OD1 ASP A 39 -1.555 3.403 -13.145 1.00 0.00 O ATOM 615 OD2 ASP A 39 -1.547 5.622 -12.958 1.00 0.00 O ATOM 0 H ASP A 39 -1.549 4.712 -10.266 1.00 0.00 H new ATOM 0 HA ASP A 39 0.126 2.530 -10.932 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.551 5.428 -11.712 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.015 3.994 -12.607 1.00 0.00 H new ATOM 620 N GLN A 40 1.373 5.050 -9.185 1.00 0.00 N ATOM 621 CA GLN A 40 2.487 5.478 -8.356 1.00 0.00 C ATOM 622 C GLN A 40 2.293 4.997 -6.916 1.00 0.00 C ATOM 623 O GLN A 40 3.087 5.323 -6.036 1.00 0.00 O ATOM 624 CB GLN A 40 2.657 6.999 -8.407 1.00 0.00 C ATOM 625 CG GLN A 40 1.730 7.688 -7.403 1.00 0.00 C ATOM 626 CD GLN A 40 1.931 9.204 -7.423 1.00 0.00 C ATOM 627 OE1 GLN A 40 1.638 9.882 -8.395 1.00 0.00 O ATOM 628 NE2 GLN A 40 2.446 9.697 -6.301 1.00 0.00 N ATOM 0 H GLN A 40 0.583 5.695 -9.205 1.00 0.00 H new ATOM 0 HA GLN A 40 3.399 5.030 -8.749 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.693 7.260 -8.190 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.442 7.359 -9.413 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.692 7.452 -7.639 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.924 7.305 -6.401 1.00 0.00 H new ATOM 0 HE21 GLN A 40 2.669 9.074 -5.525 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.619 10.699 -6.216 1.00 0.00 H new ATOM 637 N GLN A 41 1.230 4.228 -6.721 1.00 0.00 N ATOM 638 CA GLN A 41 0.922 3.699 -5.405 1.00 0.00 C ATOM 639 C GLN A 41 1.534 2.307 -5.235 1.00 0.00 C ATOM 640 O GLN A 41 1.350 1.436 -6.084 1.00 0.00 O ATOM 641 CB GLN A 41 -0.590 3.665 -5.167 1.00 0.00 C ATOM 642 CG GLN A 41 -0.927 4.044 -3.724 1.00 0.00 C ATOM 643 CD GLN A 41 -2.377 3.686 -3.388 1.00 0.00 C ATOM 644 OE1 GLN A 41 -2.656 2.828 -2.567 1.00 0.00 O ATOM 645 NE2 GLN A 41 -3.278 4.390 -4.067 1.00 0.00 N ATOM 0 H GLN A 41 0.573 3.960 -7.453 1.00 0.00 H new ATOM 0 HA GLN A 41 1.360 4.361 -4.658 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.085 4.353 -5.852 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.973 2.668 -5.384 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.253 3.526 -3.041 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.769 5.113 -3.578 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.974 5.094 -4.740 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.273 4.226 -3.915 1.00 0.00 H new ATOM 654 N ARG A 42 2.251 2.141 -4.133 1.00 0.00 N ATOM 655 CA ARG A 42 2.892 0.870 -3.841 1.00 0.00 C ATOM 656 C ARG A 42 2.641 0.471 -2.385 1.00 0.00 C ATOM 657 O ARG A 42 3.259 1.016 -1.474 1.00 0.00 O ATOM 658 CB ARG A 42 4.400 0.944 -4.090 1.00 0.00 C ATOM 659 CG ARG A 42 4.988 -0.451 -4.309 1.00 0.00 C ATOM 660 CD ARG A 42 6.509 -0.387 -4.464 1.00 0.00 C ATOM 661 NE ARG A 42 7.117 0.202 -3.251 1.00 0.00 N ATOM 662 CZ ARG A 42 8.433 0.395 -3.088 1.00 0.00 C ATOM 663 NH1 ARG A 42 9.286 0.046 -4.060 1.00 0.00 N ATOM 664 NH2 ARG A 42 8.896 0.937 -1.953 1.00 0.00 N ATOM 0 H ARG A 42 2.402 2.866 -3.431 1.00 0.00 H new ATOM 0 HA ARG A 42 2.462 0.121 -4.506 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.598 1.567 -4.962 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.890 1.420 -3.240 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.731 -1.094 -3.467 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.547 -0.900 -5.199 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.908 -1.387 -4.632 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.769 0.210 -5.338 1.00 0.00 H new ATOM 0 HE ARG A 42 6.496 0.479 -2.491 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.934 -0.366 -4.924 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.288 0.193 -3.936 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.247 1.203 -1.213 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.898 1.084 -1.829 1.00 0.00 H new ATOM 678 N LEU A 43 1.733 -0.479 -2.214 1.00 0.00 N ATOM 679 CA LEU A 43 1.392 -0.957 -0.885 1.00 0.00 C ATOM 680 C LEU A 43 2.170 -2.243 -0.596 1.00 0.00 C ATOM 681 O LEU A 43 2.123 -3.190 -1.379 1.00 0.00 O ATOM 682 CB LEU A 43 -0.124 -1.110 -0.743 1.00 0.00 C ATOM 683 CG LEU A 43 -0.969 0.029 -1.316 1.00 0.00 C ATOM 684 CD1 LEU A 43 -2.410 -0.048 -0.807 1.00 0.00 C ATOM 685 CD2 LEU A 43 -0.330 1.388 -1.025 1.00 0.00 C ATOM 0 H LEU A 43 1.223 -0.930 -2.974 1.00 0.00 H new ATOM 0 HA LEU A 43 1.687 -0.228 -0.130 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.423 -2.038 -1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.361 -1.215 0.316 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.003 -0.084 -2.400 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.989 0.773 -1.229 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.852 -0.997 -1.109 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.416 0.025 0.281 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.952 2.179 -1.444 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.244 1.526 0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.661 1.428 -1.477 1.00 0.00 H new ATOM 697 N ILE A 44 2.868 -2.234 0.529 1.00 0.00 N ATOM 698 CA ILE A 44 3.655 -3.388 0.932 1.00 0.00 C ATOM 699 C ILE A 44 2.980 -4.068 2.125 1.00 0.00 C ATOM 700 O ILE A 44 2.531 -3.398 3.054 1.00 0.00 O ATOM 701 CB ILE A 44 5.106 -2.981 1.194 1.00 0.00 C ATOM 702 CG1 ILE A 44 5.722 -2.319 -0.040 1.00 0.00 C ATOM 703 CG2 ILE A 44 5.931 -4.176 1.677 1.00 0.00 C ATOM 704 CD1 ILE A 44 6.296 -0.944 0.305 1.00 0.00 C ATOM 0 H ILE A 44 2.906 -1.446 1.175 1.00 0.00 H new ATOM 0 HA ILE A 44 3.695 -4.123 0.128 1.00 0.00 H new ATOM 0 HB ILE A 44 5.114 -2.240 1.993 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.510 -2.955 -0.443 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.965 -2.217 -0.818 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.959 -3.860 1.856 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.504 -4.563 2.602 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.919 -4.957 0.917 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.728 -0.495 -0.590 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.501 -0.303 0.685 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.069 -1.053 1.066 1.00 0.00 H new ATOM 716 N PHE A 45 2.934 -5.391 2.062 1.00 0.00 N ATOM 717 CA PHE A 45 2.321 -6.169 3.125 1.00 0.00 C ATOM 718 C PHE A 45 2.924 -7.574 3.191 1.00 0.00 C ATOM 719 O PHE A 45 3.007 -8.266 2.178 1.00 0.00 O ATOM 720 CB PHE A 45 0.832 -6.281 2.799 1.00 0.00 C ATOM 721 CG PHE A 45 -0.058 -6.516 4.021 1.00 0.00 C ATOM 722 CD1 PHE A 45 -0.176 -5.551 4.972 1.00 0.00 C ATOM 723 CD2 PHE A 45 -0.730 -7.691 4.157 1.00 0.00 C ATOM 724 CE1 PHE A 45 -1.001 -5.770 6.107 1.00 0.00 C ATOM 725 CE2 PHE A 45 -1.555 -7.909 5.292 1.00 0.00 C ATOM 726 CZ PHE A 45 -1.673 -6.944 6.243 1.00 0.00 C ATOM 0 H PHE A 45 3.311 -5.943 1.292 1.00 0.00 H new ATOM 0 HA PHE A 45 2.490 -5.683 4.086 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.511 -5.367 2.299 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.686 -7.099 2.093 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.358 -4.618 4.864 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.636 -8.458 3.402 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.095 -5.004 6.862 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.089 -8.842 5.400 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.300 -7.110 7.106 1.00 0.00 H new ATOM 736 N ALA A 46 3.329 -7.954 4.395 1.00 0.00 N ATOM 737 CA ALA A 46 3.921 -9.264 4.606 1.00 0.00 C ATOM 738 C ALA A 46 5.221 -9.366 3.807 1.00 0.00 C ATOM 739 O ALA A 46 5.696 -10.465 3.527 1.00 0.00 O ATOM 740 CB ALA A 46 2.913 -10.348 4.222 1.00 0.00 C ATOM 0 H ALA A 46 3.259 -7.378 5.234 1.00 0.00 H new ATOM 0 HA ALA A 46 4.169 -9.408 5.658 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.357 -11.331 4.380 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.020 -10.250 4.839 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.642 -10.237 3.172 1.00 0.00 H new ATOM 746 N GLY A 47 5.760 -8.206 3.462 1.00 0.00 N ATOM 747 CA GLY A 47 6.996 -8.151 2.701 1.00 0.00 C ATOM 748 C GLY A 47 6.723 -8.307 1.203 1.00 0.00 C ATOM 749 O GLY A 47 7.633 -8.166 0.386 1.00 0.00 O ATOM 0 H GLY A 47 5.363 -7.296 3.696 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.500 -7.202 2.886 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.669 -8.940 3.036 1.00 0.00 H new ATOM 753 N LYS A 48 5.470 -8.595 0.888 1.00 0.00 N ATOM 754 CA LYS A 48 5.067 -8.772 -0.497 1.00 0.00 C ATOM 755 C LYS A 48 4.210 -7.580 -0.929 1.00 0.00 C ATOM 756 O LYS A 48 3.478 -7.011 -0.120 1.00 0.00 O ATOM 757 CB LYS A 48 4.380 -10.125 -0.687 1.00 0.00 C ATOM 758 CG LYS A 48 3.809 -10.256 -2.100 1.00 0.00 C ATOM 759 CD LYS A 48 3.911 -11.698 -2.601 1.00 0.00 C ATOM 760 CE LYS A 48 2.681 -12.081 -3.426 1.00 0.00 C ATOM 761 NZ LYS A 48 3.073 -12.426 -4.811 1.00 0.00 N ATOM 0 H LYS A 48 4.719 -8.710 1.568 1.00 0.00 H new ATOM 0 HA LYS A 48 5.940 -8.791 -1.149 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.094 -10.928 -0.503 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.580 -10.236 0.044 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.766 -9.938 -2.106 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.348 -9.593 -2.777 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.810 -11.813 -3.207 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.009 -12.375 -1.753 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.175 -12.928 -2.963 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.972 -11.254 -3.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.226 -12.684 -5.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.536 -11.607 -5.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.733 -13.230 -4.795 1.00 0.00 H new ATOM 775 N GLN A 49 4.328 -7.239 -2.204 1.00 0.00 N ATOM 776 CA GLN A 49 3.572 -6.126 -2.754 1.00 0.00 C ATOM 777 C GLN A 49 2.137 -6.559 -3.061 1.00 0.00 C ATOM 778 O GLN A 49 1.905 -7.683 -3.504 1.00 0.00 O ATOM 779 CB GLN A 49 4.255 -5.564 -4.002 1.00 0.00 C ATOM 780 CG GLN A 49 4.248 -6.590 -5.139 1.00 0.00 C ATOM 781 CD GLN A 49 5.470 -6.414 -6.042 1.00 0.00 C ATOM 782 OE1 GLN A 49 5.416 -5.795 -7.091 1.00 0.00 O ATOM 783 NE2 GLN A 49 6.574 -6.993 -5.577 1.00 0.00 N ATOM 0 H GLN A 49 4.936 -7.714 -2.872 1.00 0.00 H new ATOM 0 HA GLN A 49 3.538 -5.331 -2.009 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.744 -4.656 -4.323 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.282 -5.285 -3.765 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.240 -7.598 -4.724 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.337 -6.480 -5.728 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.551 -7.497 -4.690 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.443 -6.933 -6.107 1.00 0.00 H new ATOM 792 N LEU A 50 1.212 -5.644 -2.812 1.00 0.00 N ATOM 793 CA LEU A 50 -0.195 -5.917 -3.057 1.00 0.00 C ATOM 794 C LEU A 50 -0.451 -5.939 -4.565 1.00 0.00 C ATOM 795 O LEU A 50 -0.311 -4.918 -5.236 1.00 0.00 O ATOM 796 CB LEU A 50 -1.073 -4.921 -2.298 1.00 0.00 C ATOM 797 CG LEU A 50 -0.782 -4.773 -0.802 1.00 0.00 C ATOM 798 CD1 LEU A 50 -1.757 -3.791 -0.149 1.00 0.00 C ATOM 799 CD2 LEU A 50 -0.786 -6.134 -0.106 1.00 0.00 C ATOM 0 H LEU A 50 1.408 -4.713 -2.443 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.465 -6.901 -2.674 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.967 -3.943 -2.767 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.114 -5.220 -2.417 1.00 0.00 H new ATOM 0 HG LEU A 50 0.219 -4.357 -0.687 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.529 -3.704 0.913 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.661 -2.814 -0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.777 -4.155 -0.272 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.577 -6.001 0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.763 -6.602 -0.227 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.021 -6.772 -0.549 1.00 0.00 H new ATOM 811 N GLU A 51 -0.822 -7.114 -5.052 1.00 0.00 N ATOM 812 CA GLU A 51 -1.099 -7.282 -6.469 1.00 0.00 C ATOM 813 C GLU A 51 -2.573 -6.989 -6.760 1.00 0.00 C ATOM 814 O GLU A 51 -3.460 -7.588 -6.153 1.00 0.00 O ATOM 815 CB GLU A 51 -0.715 -8.686 -6.940 1.00 0.00 C ATOM 816 CG GLU A 51 0.791 -8.917 -6.805 1.00 0.00 C ATOM 817 CD GLU A 51 1.239 -10.115 -7.645 1.00 0.00 C ATOM 818 OE1 GLU A 51 0.829 -11.242 -7.292 1.00 0.00 O ATOM 819 OE2 GLU A 51 1.981 -9.877 -8.622 1.00 0.00 O ATOM 0 H GLU A 51 -0.937 -7.958 -4.491 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.491 -6.569 -7.026 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.255 -9.430 -6.354 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.015 -8.820 -7.979 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.329 -8.024 -7.122 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.044 -9.087 -5.759 1.00 0.00 H new ATOM 826 N ASP A 52 -2.789 -6.070 -7.688 1.00 0.00 N ATOM 827 CA ASP A 52 -4.139 -5.690 -8.067 1.00 0.00 C ATOM 828 C ASP A 52 -4.969 -6.952 -8.310 1.00 0.00 C ATOM 829 O ASP A 52 -6.059 -7.098 -7.760 1.00 0.00 O ATOM 830 CB ASP A 52 -4.139 -4.868 -9.357 1.00 0.00 C ATOM 831 CG ASP A 52 -3.167 -5.354 -10.434 1.00 0.00 C ATOM 832 OD1 ASP A 52 -1.998 -4.911 -10.385 1.00 0.00 O ATOM 833 OD2 ASP A 52 -3.612 -6.158 -11.281 1.00 0.00 O ATOM 0 H ASP A 52 -2.051 -5.576 -8.190 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.560 -5.092 -7.259 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.147 -4.870 -9.771 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.898 -3.834 -9.111 1.00 0.00 H new ATOM 838 N GLY A 53 -4.421 -7.833 -9.134 1.00 0.00 N ATOM 839 CA GLY A 53 -5.097 -9.078 -9.457 1.00 0.00 C ATOM 840 C GLY A 53 -5.377 -9.893 -8.193 1.00 0.00 C ATOM 841 O GLY A 53 -6.216 -10.792 -8.204 1.00 0.00 O ATOM 0 H GLY A 53 -3.516 -7.709 -9.588 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.034 -8.865 -9.971 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.483 -9.662 -10.142 1.00 0.00 H new ATOM 845 N ARG A 54 -4.658 -9.550 -7.135 1.00 0.00 N ATOM 846 CA ARG A 54 -4.819 -10.238 -5.865 1.00 0.00 C ATOM 847 C ARG A 54 -5.765 -9.456 -4.953 1.00 0.00 C ATOM 848 O ARG A 54 -5.759 -8.226 -4.954 1.00 0.00 O ATOM 849 CB ARG A 54 -3.473 -10.416 -5.160 1.00 0.00 C ATOM 850 CG ARG A 54 -2.627 -11.486 -5.854 1.00 0.00 C ATOM 851 CD ARG A 54 -3.102 -12.890 -5.477 1.00 0.00 C ATOM 852 NE ARG A 54 -2.064 -13.886 -5.823 1.00 0.00 N ATOM 853 CZ ARG A 54 -2.063 -15.153 -5.389 1.00 0.00 C ATOM 854 NH1 ARG A 54 -3.046 -15.588 -4.589 1.00 0.00 N ATOM 855 NH2 ARG A 54 -1.080 -15.987 -5.755 1.00 0.00 N ATOM 0 H ARG A 54 -3.962 -8.804 -7.131 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.240 -11.222 -6.073 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.934 -9.469 -5.154 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.638 -10.696 -4.120 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.685 -11.356 -6.935 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.580 -11.365 -5.575 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.319 -12.935 -4.410 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.029 -13.122 -6.001 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.301 -13.589 -6.431 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.795 -14.954 -4.311 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.045 -16.553 -4.259 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.332 -15.657 -6.365 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.080 -16.952 -5.424 1.00 0.00 H new ATOM 869 N THR A 55 -6.557 -10.202 -4.196 1.00 0.00 N ATOM 870 CA THR A 55 -7.507 -9.593 -3.280 1.00 0.00 C ATOM 871 C THR A 55 -6.920 -9.525 -1.870 1.00 0.00 C ATOM 872 O THR A 55 -5.936 -10.200 -1.570 1.00 0.00 O ATOM 873 CB THR A 55 -8.812 -10.388 -3.358 1.00 0.00 C ATOM 874 OG1 THR A 55 -8.388 -11.739 -3.515 1.00 0.00 O ATOM 875 CG2 THR A 55 -9.602 -10.093 -4.635 1.00 0.00 C ATOM 0 H THR A 55 -6.560 -11.222 -4.198 1.00 0.00 H new ATOM 0 HA THR A 55 -7.720 -8.561 -3.558 1.00 0.00 H new ATOM 0 HB THR A 55 -9.429 -10.159 -2.489 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.173 -12.323 -3.573 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.519 -10.683 -4.640 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.852 -9.033 -4.671 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.998 -10.353 -5.505 1.00 0.00 H new ATOM 883 N LEU A 56 -7.549 -8.705 -1.040 1.00 0.00 N ATOM 884 CA LEU A 56 -7.101 -8.540 0.332 1.00 0.00 C ATOM 885 C LEU A 56 -7.199 -9.883 1.061 1.00 0.00 C ATOM 886 O LEU A 56 -6.303 -10.248 1.820 1.00 0.00 O ATOM 887 CB LEU A 56 -7.874 -7.411 1.016 1.00 0.00 C ATOM 888 CG LEU A 56 -7.752 -6.029 0.371 1.00 0.00 C ATOM 889 CD1 LEU A 56 -8.939 -5.141 0.750 1.00 0.00 C ATOM 890 CD2 LEU A 56 -6.414 -5.376 0.722 1.00 0.00 C ATOM 0 H LEU A 56 -8.365 -8.148 -1.292 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.054 -8.239 0.357 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.929 -7.685 1.045 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.535 -7.339 2.049 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.775 -6.154 -0.712 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.828 -4.164 0.279 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.864 -5.605 0.409 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.972 -5.020 1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.353 -4.395 0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.336 -5.265 1.803 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.598 -6.002 0.362 1.00 0.00 H new ATOM 902 N SER A 57 -8.297 -10.580 0.804 1.00 0.00 N ATOM 903 CA SER A 57 -8.524 -11.873 1.426 1.00 0.00 C ATOM 904 C SER A 57 -7.429 -12.855 1.006 1.00 0.00 C ATOM 905 O SER A 57 -7.033 -13.720 1.787 1.00 0.00 O ATOM 906 CB SER A 57 -9.903 -12.426 1.060 1.00 0.00 C ATOM 907 OG SER A 57 -10.089 -13.755 1.539 1.00 0.00 O ATOM 0 H SER A 57 -9.038 -10.273 0.174 1.00 0.00 H new ATOM 0 HA SER A 57 -8.491 -11.743 2.508 1.00 0.00 H new ATOM 0 HB2 SER A 57 -10.675 -11.779 1.476 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.024 -12.411 -0.023 1.00 0.00 H new ATOM 0 HG SER A 57 -10.981 -14.072 1.287 1.00 0.00 H new ATOM 913 N ASP A 58 -6.971 -12.690 -0.226 1.00 0.00 N ATOM 914 CA ASP A 58 -5.930 -13.552 -0.759 1.00 0.00 C ATOM 915 C ASP A 58 -4.644 -13.348 0.045 1.00 0.00 C ATOM 916 O ASP A 58 -3.770 -14.214 0.055 1.00 0.00 O ATOM 917 CB ASP A 58 -5.631 -13.214 -2.221 1.00 0.00 C ATOM 918 CG ASP A 58 -6.209 -14.196 -3.243 1.00 0.00 C ATOM 919 OD1 ASP A 58 -5.926 -15.404 -3.091 1.00 0.00 O ATOM 920 OD2 ASP A 58 -6.921 -13.716 -4.152 1.00 0.00 O ATOM 0 H ASP A 58 -7.302 -11.972 -0.871 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.277 -14.583 -0.690 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.021 -12.219 -2.435 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.550 -13.169 -2.354 1.00 0.00 H new ATOM 925 N TYR A 59 -4.569 -12.199 0.700 1.00 0.00 N ATOM 926 CA TYR A 59 -3.405 -11.871 1.506 1.00 0.00 C ATOM 927 C TYR A 59 -3.671 -12.137 2.988 1.00 0.00 C ATOM 928 O TYR A 59 -2.774 -11.997 3.818 1.00 0.00 O ATOM 929 CB TYR A 59 -3.161 -10.375 1.303 1.00 0.00 C ATOM 930 CG TYR A 59 -2.453 -10.031 -0.009 1.00 0.00 C ATOM 931 CD1 TYR A 59 -1.133 -10.388 -0.196 1.00 0.00 C ATOM 932 CD2 TYR A 59 -3.136 -9.364 -1.007 1.00 0.00 C ATOM 933 CE1 TYR A 59 -0.468 -10.064 -1.432 1.00 0.00 C ATOM 934 CE2 TYR A 59 -2.471 -9.041 -2.242 1.00 0.00 C ATOM 935 CZ TYR A 59 -1.170 -9.407 -2.394 1.00 0.00 C ATOM 936 OH TYR A 59 -0.541 -9.101 -3.560 1.00 0.00 O ATOM 0 H TYR A 59 -5.296 -11.483 0.689 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.549 -12.478 1.210 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.118 -9.854 1.335 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.565 -9.999 2.135 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.599 -10.910 0.584 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.169 -9.085 -0.861 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.565 -10.337 -1.591 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.994 -8.520 -3.030 1.00 0.00 H new ATOM 0 HH TYR A 59 0.331 -8.698 -3.365 1.00 0.00 H new ATOM 946 N ASN A 60 -4.908 -12.515 3.276 1.00 0.00 N ATOM 947 CA ASN A 60 -5.304 -12.801 4.645 1.00 0.00 C ATOM 948 C ASN A 60 -4.980 -11.595 5.528 1.00 0.00 C ATOM 949 O ASN A 60 -4.250 -11.719 6.511 1.00 0.00 O ATOM 950 CB ASN A 60 -4.544 -14.009 5.196 1.00 0.00 C ATOM 951 CG ASN A 60 -4.252 -15.025 4.090 1.00 0.00 C ATOM 952 OD1 ASN A 60 -5.127 -15.729 3.611 1.00 0.00 O ATOM 953 ND2 ASN A 60 -2.977 -15.063 3.713 1.00 0.00 N ATOM 0 H ASN A 60 -5.649 -12.630 2.585 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.373 -13.014 4.650 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.608 -13.679 5.648 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.129 -14.483 5.984 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.681 -15.709 2.981 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.296 -14.446 4.155 1.00 0.00 H new ATOM 960 N ILE A 61 -5.536 -10.455 5.145 1.00 0.00 N ATOM 961 CA ILE A 61 -5.315 -9.227 5.891 1.00 0.00 C ATOM 962 C ILE A 61 -6.208 -9.223 7.133 1.00 0.00 C ATOM 963 O ILE A 61 -7.359 -9.651 7.078 1.00 0.00 O ATOM 964 CB ILE A 61 -5.515 -8.009 4.987 1.00 0.00 C ATOM 965 CG1 ILE A 61 -4.393 -7.905 3.952 1.00 0.00 C ATOM 966 CG2 ILE A 61 -5.651 -6.730 5.814 1.00 0.00 C ATOM 967 CD1 ILE A 61 -4.942 -7.479 2.588 1.00 0.00 C ATOM 0 H ILE A 61 -6.139 -10.355 4.328 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.283 -9.172 6.239 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.448 -8.139 4.439 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.648 -7.184 4.289 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.888 -8.866 3.860 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.792 -5.879 5.148 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.510 -6.816 6.479 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.748 -6.582 6.406 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.124 -7.413 1.871 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.669 -8.214 2.242 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.425 -6.506 2.678 1.00 0.00 H new ATOM 979 N GLN A 62 -5.641 -8.734 8.227 1.00 0.00 N ATOM 980 CA GLN A 62 -6.372 -8.668 9.482 1.00 0.00 C ATOM 981 C GLN A 62 -7.010 -7.289 9.653 1.00 0.00 C ATOM 982 O GLN A 62 -6.477 -6.290 9.173 1.00 0.00 O ATOM 983 CB GLN A 62 -5.459 -8.999 10.664 1.00 0.00 C ATOM 984 CG GLN A 62 -4.338 -9.952 10.242 1.00 0.00 C ATOM 985 CD GLN A 62 -3.559 -10.454 11.459 1.00 0.00 C ATOM 986 OE1 GLN A 62 -3.841 -10.110 12.595 1.00 0.00 O ATOM 987 NE2 GLN A 62 -2.565 -11.286 11.159 1.00 0.00 N ATOM 0 H GLN A 62 -4.685 -8.380 8.270 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.167 -9.414 9.457 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.029 -8.081 11.064 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.044 -9.452 11.464 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.760 -10.799 9.701 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.661 -9.442 9.557 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.383 -11.533 10.186 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.985 -11.677 11.902 1.00 0.00 H new ATOM 996 N LYS A 63 -8.145 -7.278 10.337 1.00 0.00 N ATOM 997 CA LYS A 63 -8.863 -6.037 10.577 1.00 0.00 C ATOM 998 C LYS A 63 -7.894 -4.992 11.134 1.00 0.00 C ATOM 999 O LYS A 63 -7.105 -5.288 12.031 1.00 0.00 O ATOM 1000 CB LYS A 63 -10.080 -6.286 11.470 1.00 0.00 C ATOM 1001 CG LYS A 63 -9.676 -7.004 12.759 1.00 0.00 C ATOM 1002 CD LYS A 63 -10.785 -7.945 13.233 1.00 0.00 C ATOM 1003 CE LYS A 63 -10.226 -9.030 14.156 1.00 0.00 C ATOM 1004 NZ LYS A 63 -11.118 -9.231 15.320 1.00 0.00 N ATOM 0 H LYS A 63 -8.585 -8.109 10.733 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.259 -5.639 9.643 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.558 -5.337 11.713 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.815 -6.884 10.931 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.760 -7.571 12.592 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.460 -6.270 13.536 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.551 -7.375 13.758 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -11.267 -8.408 12.372 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.120 -9.965 13.606 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.230 -8.747 14.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.724 -9.971 15.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.198 -8.342 15.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.060 -9.522 14.989 1.00 0.00 H new ATOM 1018 N GLU A 64 -7.985 -3.792 10.580 1.00 0.00 N ATOM 1019 CA GLU A 64 -7.127 -2.702 11.012 1.00 0.00 C ATOM 1020 C GLU A 64 -5.656 -3.114 10.914 1.00 0.00 C ATOM 1021 O GLU A 64 -4.878 -2.872 11.835 1.00 0.00 O ATOM 1022 CB GLU A 64 -7.479 -2.256 12.432 1.00 0.00 C ATOM 1023 CG GLU A 64 -8.909 -1.719 12.500 1.00 0.00 C ATOM 1024 CD GLU A 64 -9.820 -2.681 13.266 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -9.595 -2.825 14.487 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -10.721 -3.251 12.613 1.00 0.00 O ATOM 0 H GLU A 64 -8.640 -3.551 9.836 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.291 -1.852 10.350 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.369 -3.096 13.118 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.781 -1.485 12.758 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.912 -0.744 12.987 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.295 -1.573 11.491 1.00 0.00 H new ATOM 1033 N SER A 65 -5.320 -3.730 9.791 1.00 0.00 N ATOM 1034 CA SER A 65 -3.957 -4.177 9.560 1.00 0.00 C ATOM 1035 C SER A 65 -3.047 -2.974 9.309 1.00 0.00 C ATOM 1036 O SER A 65 -3.524 -1.850 9.161 1.00 0.00 O ATOM 1037 CB SER A 65 -3.889 -5.151 8.382 1.00 0.00 C ATOM 1038 OG SER A 65 -4.118 -6.497 8.788 1.00 0.00 O ATOM 0 H SER A 65 -5.969 -3.930 9.030 1.00 0.00 H new ATOM 0 HA SER A 65 -3.614 -4.703 10.451 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.629 -4.867 7.634 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.911 -5.077 7.907 1.00 0.00 H new ATOM 0 HG SER A 65 -4.821 -6.518 9.470 1.00 0.00 H new ATOM 1044 N THR A 66 -1.752 -3.251 9.268 1.00 0.00 N ATOM 1045 CA THR A 66 -0.770 -2.206 9.037 1.00 0.00 C ATOM 1046 C THR A 66 -0.189 -2.321 7.626 1.00 0.00 C ATOM 1047 O THR A 66 0.598 -3.225 7.348 1.00 0.00 O ATOM 1048 CB THR A 66 0.288 -2.297 10.139 1.00 0.00 C ATOM 1049 OG1 THR A 66 -0.317 -1.651 11.256 1.00 0.00 O ATOM 1050 CG2 THR A 66 1.522 -1.444 9.839 1.00 0.00 C ATOM 0 H THR A 66 -1.360 -4.185 9.391 1.00 0.00 H new ATOM 0 HA THR A 66 -1.227 -1.218 9.087 1.00 0.00 H new ATOM 0 HB THR A 66 0.588 -3.337 10.268 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.301 -1.666 12.017 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.241 -1.545 10.652 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.978 -1.779 8.908 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.227 -0.399 9.743 1.00 0.00 H new ATOM 1058 N LEU A 67 -0.599 -1.394 6.774 1.00 0.00 N ATOM 1059 CA LEU A 67 -0.130 -1.381 5.398 1.00 0.00 C ATOM 1060 C LEU A 67 0.814 -0.194 5.197 1.00 0.00 C ATOM 1061 O LEU A 67 0.626 0.861 5.801 1.00 0.00 O ATOM 1062 CB LEU A 67 -1.312 -1.399 4.429 1.00 0.00 C ATOM 1063 CG LEU A 67 -2.054 -2.730 4.299 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -2.933 -2.989 5.524 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -2.857 -2.787 2.998 1.00 0.00 C ATOM 0 H LEU A 67 -1.251 -0.646 7.009 1.00 0.00 H new ATOM 0 HA LEU A 67 0.442 -2.283 5.182 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.026 -0.638 4.744 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.951 -1.109 3.442 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.314 -3.529 4.256 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.450 -3.942 5.406 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.310 -3.022 6.418 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.666 -2.188 5.622 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.374 -3.744 2.931 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.587 -1.978 2.985 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.182 -2.680 2.149 1.00 0.00 H new ATOM 1077 N HIS A 68 1.807 -0.406 4.347 1.00 0.00 N ATOM 1078 CA HIS A 68 2.780 0.635 4.059 1.00 0.00 C ATOM 1079 C HIS A 68 2.537 1.190 2.653 1.00 0.00 C ATOM 1080 O HIS A 68 2.691 0.474 1.665 1.00 0.00 O ATOM 1081 CB HIS A 68 4.205 0.113 4.253 1.00 0.00 C ATOM 1082 CG HIS A 68 5.003 0.875 5.284 1.00 0.00 C ATOM 1083 ND1 HIS A 68 5.160 2.250 5.244 1.00 0.00 N ATOM 1084 CD2 HIS A 68 5.685 0.442 6.382 1.00 0.00 C ATOM 1085 CE1 HIS A 68 5.906 2.616 6.277 1.00 0.00 C ATOM 1086 NE2 HIS A 68 6.231 1.494 6.980 1.00 0.00 N ATOM 0 H HIS A 68 1.959 -1.283 3.848 1.00 0.00 H new ATOM 0 HA HIS A 68 2.657 1.459 4.762 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.160 -0.936 4.546 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.730 0.155 3.298 1.00 0.00 H new ATOM 0 HD2 HIS A 68 5.767 -0.584 6.710 1.00 0.00 H new ATOM 0 HE1 HIS A 68 6.204 3.625 6.519 1.00 0.00 H new ATOM 0 HE2 HIS A 68 6.800 1.467 7.826 1.00 0.00 H new ATOM 1094 N LEU A 69 2.163 2.459 2.611 1.00 0.00 N ATOM 1095 CA LEU A 69 1.897 3.118 1.343 1.00 0.00 C ATOM 1096 C LEU A 69 3.139 3.904 0.912 1.00 0.00 C ATOM 1097 O LEU A 69 3.449 4.946 1.487 1.00 0.00 O ATOM 1098 CB LEU A 69 0.632 3.973 1.438 1.00 0.00 C ATOM 1099 CG LEU A 69 0.542 5.150 0.465 1.00 0.00 C ATOM 1100 CD1 LEU A 69 0.429 4.661 -0.980 1.00 0.00 C ATOM 1101 CD2 LEU A 69 -0.605 6.088 0.845 1.00 0.00 C ATOM 0 H LEU A 69 2.038 3.049 3.433 1.00 0.00 H new ATOM 0 HA LEU A 69 1.698 2.381 0.565 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.231 3.328 1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.555 4.361 2.454 1.00 0.00 H new ATOM 0 HG LEU A 69 1.465 5.725 0.538 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.367 5.518 -1.650 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.307 4.066 -1.232 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.467 4.050 -1.088 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.647 6.916 0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.547 5.540 0.819 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.439 6.477 1.850 1.00 0.00 H new ATOM 1113 N VAL A 70 3.814 3.374 -0.097 1.00 0.00 N ATOM 1114 CA VAL A 70 5.014 4.012 -0.611 1.00 0.00 C ATOM 1115 C VAL A 70 4.758 4.491 -2.041 1.00 0.00 C ATOM 1116 O VAL A 70 4.010 3.860 -2.787 1.00 0.00 O ATOM 1117 CB VAL A 70 6.203 3.054 -0.505 1.00 0.00 C ATOM 1118 CG1 VAL A 70 7.399 3.576 -1.303 1.00 0.00 C ATOM 1119 CG2 VAL A 70 6.581 2.810 0.956 1.00 0.00 C ATOM 0 H VAL A 70 3.553 2.510 -0.572 1.00 0.00 H new ATOM 0 HA VAL A 70 5.266 4.889 -0.014 1.00 0.00 H new ATOM 0 HB VAL A 70 5.904 2.099 -0.937 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.231 2.877 -1.211 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.121 3.674 -2.352 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.699 4.549 -0.915 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.428 2.126 1.003 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.852 3.756 1.425 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.733 2.374 1.483 1.00 0.00 H new ATOM 1129 N LEU A 71 5.392 5.603 -2.382 1.00 0.00 N ATOM 1130 CA LEU A 71 5.243 6.175 -3.709 1.00 0.00 C ATOM 1131 C LEU A 71 6.259 5.531 -4.654 1.00 0.00 C ATOM 1132 O LEU A 71 7.277 5.003 -4.210 1.00 0.00 O ATOM 1133 CB LEU A 71 5.338 7.700 -3.650 1.00 0.00 C ATOM 1134 CG LEU A 71 6.719 8.274 -3.329 1.00 0.00 C ATOM 1135 CD1 LEU A 71 7.072 9.416 -4.283 1.00 0.00 C ATOM 1136 CD2 LEU A 71 6.808 8.703 -1.863 1.00 0.00 C ATOM 0 H LEU A 71 6.011 6.124 -1.761 1.00 0.00 H new ATOM 0 HA LEU A 71 4.253 5.957 -4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.014 8.102 -4.610 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.634 8.059 -2.900 1.00 0.00 H new ATOM 0 HG LEU A 71 7.459 7.488 -3.479 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.059 9.807 -4.034 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.077 9.045 -5.308 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.332 10.211 -4.188 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.800 9.107 -1.662 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.057 9.467 -1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.630 7.841 -1.220 1.00 0.00 H new ATOM 1148 N ARG A 72 5.948 5.598 -5.940 1.00 0.00 N ATOM 1149 CA ARG A 72 6.823 5.028 -6.952 1.00 0.00 C ATOM 1150 C ARG A 72 7.789 6.092 -7.478 1.00 0.00 C ATOM 1151 O ARG A 72 7.655 7.271 -7.156 1.00 0.00 O ATOM 1152 CB ARG A 72 6.016 4.459 -8.121 1.00 0.00 C ATOM 1153 CG ARG A 72 6.606 3.132 -8.600 1.00 0.00 C ATOM 1154 CD ARG A 72 5.575 2.006 -8.502 1.00 0.00 C ATOM 1155 NE ARG A 72 6.256 0.717 -8.244 1.00 0.00 N ATOM 1156 CZ ARG A 72 5.626 -0.462 -8.160 1.00 0.00 C ATOM 1157 NH1 ARG A 72 4.296 -0.523 -8.313 1.00 0.00 N ATOM 1158 NH2 ARG A 72 6.325 -1.581 -7.923 1.00 0.00 N ATOM 0 H ARG A 72 5.103 6.038 -6.305 1.00 0.00 H new ATOM 0 HA ARG A 72 7.386 4.219 -6.486 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.980 4.311 -7.815 1.00 0.00 H new ATOM 0 HB3 ARG A 72 6.006 5.175 -8.943 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.944 3.232 -9.631 1.00 0.00 H new ATOM 0 HG3 ARG A 72 7.481 2.882 -8.001 1.00 0.00 H new ATOM 0 HD2 ARG A 72 4.867 2.219 -7.701 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.002 1.945 -9.427 1.00 0.00 H new ATOM 0 HE ARG A 72 7.269 0.727 -8.123 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.764 0.328 -8.493 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.816 -1.421 -8.249 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.337 -1.535 -7.806 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.845 -2.479 -7.859 1.00 0.00 H new ATOM 1172 N LEU A 73 8.740 5.637 -8.281 1.00 0.00 N ATOM 1173 CA LEU A 73 9.728 6.534 -8.855 1.00 0.00 C ATOM 1174 C LEU A 73 9.114 7.262 -10.051 1.00 0.00 C ATOM 1175 O LEU A 73 9.055 8.491 -10.072 1.00 0.00 O ATOM 1176 CB LEU A 73 11.012 5.773 -9.190 1.00 0.00 C ATOM 1177 CG LEU A 73 12.028 5.637 -8.053 1.00 0.00 C ATOM 1178 CD1 LEU A 73 11.917 4.267 -7.381 1.00 0.00 C ATOM 1179 CD2 LEU A 73 13.447 5.918 -8.551 1.00 0.00 C ATOM 0 H LEU A 73 8.847 4.658 -8.548 1.00 0.00 H new ATOM 0 HA LEU A 73 10.017 7.296 -8.132 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.740 4.773 -9.529 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.499 6.273 -10.028 1.00 0.00 H new ATOM 0 HG LEU A 73 11.798 6.387 -7.296 1.00 0.00 H new ATOM 0 HD11 LEU A 73 12.649 4.196 -6.577 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.915 4.143 -6.971 1.00 0.00 H new ATOM 0 HD13 LEU A 73 12.108 3.485 -8.116 1.00 0.00 H new ATOM 0 HD21 LEU A 73 14.150 5.815 -7.724 1.00 0.00 H new ATOM 0 HD22 LEU A 73 13.704 5.208 -9.337 1.00 0.00 H new ATOM 0 HD23 LEU A 73 13.499 6.932 -8.947 1.00 0.00 H new ATOM 1191 N ARG A 74 8.671 6.474 -11.020 1.00 0.00 N ATOM 1192 CA ARG A 74 8.063 7.028 -12.217 1.00 0.00 C ATOM 1193 C ARG A 74 6.553 7.178 -12.026 1.00 0.00 C ATOM 1194 O ARG A 74 6.083 7.384 -10.909 1.00 0.00 O ATOM 1195 CB ARG A 74 8.331 6.140 -13.433 1.00 0.00 C ATOM 1196 CG ARG A 74 9.774 5.631 -13.433 1.00 0.00 C ATOM 1197 CD ARG A 74 9.953 4.487 -14.434 1.00 0.00 C ATOM 1198 NE ARG A 74 11.370 4.067 -14.475 1.00 0.00 N ATOM 1199 CZ ARG A 74 12.305 4.647 -15.240 1.00 0.00 C ATOM 1200 NH1 ARG A 74 11.976 5.677 -16.033 1.00 0.00 N ATOM 1201 NH2 ARG A 74 13.567 4.199 -15.213 1.00 0.00 N ATOM 0 H ARG A 74 8.721 5.455 -11.000 1.00 0.00 H new ATOM 0 HA ARG A 74 8.509 8.007 -12.391 1.00 0.00 H new ATOM 0 HB2 ARG A 74 7.643 5.294 -13.429 1.00 0.00 H new ATOM 0 HB3 ARG A 74 8.140 6.702 -14.347 1.00 0.00 H new ATOM 0 HG2 ARG A 74 10.451 6.447 -13.684 1.00 0.00 H new ATOM 0 HG3 ARG A 74 10.043 5.290 -12.433 1.00 0.00 H new ATOM 0 HD2 ARG A 74 9.323 3.643 -14.151 1.00 0.00 H new ATOM 0 HD3 ARG A 74 9.631 4.807 -15.425 1.00 0.00 H new ATOM 0 HE ARG A 74 11.654 3.286 -13.883 1.00 0.00 H new ATOM 0 HH11 ARG A 74 11.015 6.018 -16.053 1.00 0.00 H new ATOM 0 HH12 ARG A 74 12.687 6.119 -16.616 1.00 0.00 H new ATOM 0 HH21 ARG A 74 13.817 3.416 -14.610 1.00 0.00 H new ATOM 0 HH22 ARG A 74 14.278 4.641 -15.796 1.00 0.00 H new ATOM 1215 N GLY A 75 5.835 7.068 -13.134 1.00 0.00 N ATOM 1216 CA GLY A 75 4.387 7.188 -13.103 1.00 0.00 C ATOM 1217 C GLY A 75 3.731 6.156 -14.023 1.00 0.00 C ATOM 1218 O GLY A 75 4.224 5.038 -14.159 1.00 0.00 O ATOM 0 H GLY A 75 6.229 6.897 -14.059 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.029 7.050 -12.083 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.095 8.192 -13.411 1.00 0.00 H new ATOM 1222 N GLY A 76 2.628 6.569 -14.630 1.00 0.00 N ATOM 1223 CA GLY A 76 1.899 5.695 -15.533 1.00 0.00 C ATOM 1224 C GLY A 76 0.656 6.393 -16.087 1.00 0.00 C ATOM 1225 O GLY A 76 -0.463 5.914 -15.904 1.00 0.00 O ATOM 0 H GLY A 76 2.222 7.497 -14.514 1.00 0.00 H new ATOM 0 HA2 GLY A 76 2.548 5.393 -16.355 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.606 4.786 -15.008 1.00 0.00 H new TER 1229 GLY A 76