USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 576 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 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -100:sc= -3.42 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00423 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0257 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.017 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.507 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.63 K(o=-1.6,f=-5!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN :FLIP amide:sc= -0.0183 F(o=-1.1,f=-0.018) 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=-0.32) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.407 USER MOD Single : A 60 ASN : amide:sc= -0.0559 K(o=-0.056,f=-1.3) USER MOD Single : A 62 GLN : amide:sc= -0.0824 X(o=-0.082,f=-0.54) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 79:sc= 1.12 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0273 X(o=-0.027,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 -13.671 5.266 2.402 1.00 0.00 N ATOM 21 CA GLN A 2 -14.381 4.039 2.761 1.00 0.00 C ATOM 22 C GLN A 2 -13.605 3.199 3.782 1.00 0.00 C ATOM 23 O GLN A 2 -14.178 2.315 4.418 1.00 0.00 O ATOM 24 CB GLN A 2 -14.660 3.201 1.510 1.00 0.00 C ATOM 25 CG GLN A 2 -15.963 3.561 0.815 1.00 0.00 C ATOM 26 CD GLN A 2 -15.808 4.729 -0.144 1.00 0.00 C ATOM 27 OE1 GLN A 2 -15.211 4.591 -1.212 1.00 0.00 O ATOM 28 NE2 GLN A 2 -16.347 5.888 0.229 1.00 0.00 N ATOM 0 HA GLN A 2 -15.323 4.337 3.222 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -13.836 3.327 0.807 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -14.685 2.147 1.787 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -16.331 2.693 0.268 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -16.715 3.808 1.565 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -16.834 5.960 1.123 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -16.273 6.704 -0.379 1.00 0.00 H new ATOM 37 N ILE A 3 -12.307 3.465 3.940 1.00 0.00 N ATOM 38 CA ILE A 3 -11.494 2.708 4.888 1.00 0.00 C ATOM 39 C ILE A 3 -10.539 3.622 5.654 1.00 0.00 C ATOM 40 O ILE A 3 -10.488 4.825 5.407 1.00 0.00 O ATOM 41 CB ILE A 3 -10.679 1.612 4.173 1.00 0.00 C ATOM 42 CG1 ILE A 3 -9.757 2.233 3.122 1.00 0.00 C ATOM 43 CG2 ILE A 3 -11.611 0.595 3.531 1.00 0.00 C ATOM 44 CD1 ILE A 3 -8.571 1.362 2.768 1.00 0.00 C ATOM 0 H ILE A 3 -11.803 4.190 3.430 1.00 0.00 H new ATOM 0 HA ILE A 3 -12.182 2.241 5.593 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.063 1.099 4.911 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.333 2.434 2.218 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -9.395 3.193 3.489 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -11.022 -0.173 3.030 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -12.230 0.133 4.300 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -12.249 1.095 2.803 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.961 1.865 2.018 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -7.972 1.182 3.661 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -8.924 0.411 2.370 1.00 0.00 H new ATOM 56 N PHE A 4 -9.784 3.048 6.590 1.00 0.00 N ATOM 57 CA PHE A 4 -8.839 3.824 7.386 1.00 0.00 C ATOM 58 C PHE A 4 -7.410 3.327 7.170 1.00 0.00 C ATOM 59 O PHE A 4 -7.006 2.312 7.735 1.00 0.00 O ATOM 60 CB PHE A 4 -9.203 3.743 8.870 1.00 0.00 C ATOM 61 CG PHE A 4 -9.913 4.964 9.382 1.00 0.00 C ATOM 62 CD1 PHE A 4 -9.194 6.052 9.852 1.00 0.00 C ATOM 63 CD2 PHE A 4 -11.297 5.023 9.395 1.00 0.00 C ATOM 64 CE1 PHE A 4 -9.844 7.177 10.324 1.00 0.00 C ATOM 65 CE2 PHE A 4 -11.952 6.145 9.865 1.00 0.00 C ATOM 66 CZ PHE A 4 -11.225 7.223 10.330 1.00 0.00 C ATOM 0 H PHE A 4 -9.809 2.053 6.814 1.00 0.00 H new ATOM 0 HA PHE A 4 -8.895 4.863 7.063 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -9.835 2.870 9.034 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -8.293 3.591 9.451 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -8.114 6.020 9.849 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -11.871 4.182 9.034 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -9.273 8.019 10.688 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -13.031 6.179 9.869 1.00 0.00 H new ATOM 0 HZ PHE A 4 -11.735 8.101 10.698 1.00 0.00 H new ATOM 76 N VAL A 5 -6.649 4.050 6.349 1.00 0.00 N ATOM 77 CA VAL A 5 -5.268 3.676 6.065 1.00 0.00 C ATOM 78 C VAL A 5 -4.294 4.725 6.594 1.00 0.00 C ATOM 79 O VAL A 5 -4.622 5.910 6.658 1.00 0.00 O ATOM 80 CB VAL A 5 -5.036 3.492 4.553 1.00 0.00 C ATOM 81 CG1 VAL A 5 -3.650 2.924 4.290 1.00 0.00 C ATOM 82 CG2 VAL A 5 -6.111 2.599 3.954 1.00 0.00 C ATOM 0 H VAL A 5 -6.966 4.894 5.872 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.086 2.728 6.571 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.098 4.468 4.072 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.505 2.801 3.217 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.896 3.607 4.682 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.554 1.956 4.782 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -5.931 2.480 2.886 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.084 1.622 4.438 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.090 3.053 4.109 1.00 0.00 H new ATOM 92 N LYS A 6 -3.096 4.285 6.975 1.00 0.00 N ATOM 93 CA LYS A 6 -2.082 5.193 7.498 1.00 0.00 C ATOM 94 C LYS A 6 -0.967 5.411 6.477 1.00 0.00 C ATOM 95 O LYS A 6 -0.433 4.453 5.917 1.00 0.00 O ATOM 96 CB LYS A 6 -1.497 4.643 8.800 1.00 0.00 C ATOM 97 CG LYS A 6 -2.268 5.067 10.040 1.00 0.00 C ATOM 98 CD LYS A 6 -1.713 6.354 10.626 1.00 0.00 C ATOM 99 CE LYS A 6 -2.650 6.939 11.671 1.00 0.00 C ATOM 100 NZ LYS A 6 -1.904 7.547 12.808 1.00 0.00 N ATOM 0 H LYS A 6 -2.806 3.308 6.931 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.559 6.152 7.699 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.478 3.554 8.749 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.463 4.976 8.893 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.319 5.205 9.787 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -2.221 4.275 10.788 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.739 6.160 11.076 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.556 7.080 9.829 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.284 7.695 11.207 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -3.309 6.156 12.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.579 7.934 13.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.318 6.821 13.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.294 8.311 12.454 1.00 0.00 H new ATOM 114 N THR A 7 -0.623 6.674 6.233 1.00 0.00 N ATOM 115 CA THR A 7 0.426 7.006 5.273 1.00 0.00 C ATOM 116 C THR A 7 1.759 7.298 5.982 1.00 0.00 C ATOM 117 O THR A 7 1.916 6.983 7.162 1.00 0.00 O ATOM 118 CB THR A 7 -0.013 8.176 4.384 1.00 0.00 C ATOM 119 OG1 THR A 7 -1.199 8.778 4.883 1.00 0.00 O ATOM 120 CG2 THR A 7 -0.269 7.751 2.949 1.00 0.00 C ATOM 0 H THR A 7 -1.054 7.481 6.685 1.00 0.00 H new ATOM 0 HA THR A 7 0.590 6.141 4.631 1.00 0.00 H new ATOM 0 HB THR A 7 0.812 8.888 4.400 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.970 8.453 4.373 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.577 8.617 2.363 1.00 0.00 H new ATOM 0 HG22 THR A 7 0.644 7.332 2.525 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.058 6.999 2.927 1.00 0.00 H new ATOM 128 N LEU A 8 2.726 7.878 5.260 1.00 0.00 N ATOM 129 CA LEU A 8 4.037 8.174 5.830 1.00 0.00 C ATOM 130 C LEU A 8 3.940 9.251 6.905 1.00 0.00 C ATOM 131 O LEU A 8 4.558 9.142 7.964 1.00 0.00 O ATOM 132 CB LEU A 8 5.033 8.564 4.717 1.00 0.00 C ATOM 133 CG LEU A 8 5.137 10.061 4.391 1.00 0.00 C ATOM 134 CD1 LEU A 8 6.510 10.386 3.818 1.00 0.00 C ATOM 135 CD2 LEU A 8 4.039 10.476 3.419 1.00 0.00 C ATOM 0 H LEU A 8 2.621 8.149 4.282 1.00 0.00 H new ATOM 0 HA LEU A 8 4.414 7.273 6.314 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.022 8.207 5.003 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.753 8.034 3.806 1.00 0.00 H new ATOM 0 HG LEU A 8 5.006 10.625 5.315 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.567 11.451 3.592 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.279 10.128 4.546 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.668 9.813 2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.130 11.540 3.200 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.137 9.906 2.495 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.064 10.279 3.865 1.00 0.00 H new ATOM 147 N THR A 9 3.163 10.293 6.624 1.00 0.00 N ATOM 148 CA THR A 9 2.992 11.388 7.564 1.00 0.00 C ATOM 149 C THR A 9 1.572 11.410 8.128 1.00 0.00 C ATOM 150 O THR A 9 0.977 12.477 8.291 1.00 0.00 O ATOM 151 CB THR A 9 3.306 12.716 6.877 1.00 0.00 C ATOM 152 OG1 THR A 9 2.884 12.690 5.523 1.00 0.00 O ATOM 153 CG2 THR A 9 4.780 13.061 6.891 1.00 0.00 C ATOM 0 H THR A 9 2.644 10.399 5.753 1.00 0.00 H new ATOM 0 HA THR A 9 3.683 11.240 8.394 1.00 0.00 H new ATOM 0 HB THR A 9 2.766 13.473 7.446 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.091 13.549 5.099 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.935 14.015 6.388 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.127 13.134 7.922 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.341 12.283 6.374 1.00 0.00 H new ATOM 161 N GLY A 10 1.028 10.230 8.426 1.00 0.00 N ATOM 162 CA GLY A 10 -0.317 10.149 8.968 1.00 0.00 C ATOM 163 C GLY A 10 -1.345 10.839 8.089 1.00 0.00 C ATOM 164 O GLY A 10 -2.252 11.503 8.592 1.00 0.00 O ATOM 0 H GLY A 10 1.495 9.332 8.301 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.593 9.102 9.089 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.332 10.600 9.960 1.00 0.00 H new ATOM 168 N LYS A 11 -1.208 10.687 6.772 1.00 0.00 N ATOM 169 CA LYS A 11 -2.139 11.305 5.833 1.00 0.00 C ATOM 170 C LYS A 11 -3.380 10.435 5.644 1.00 0.00 C ATOM 171 O LYS A 11 -3.375 9.251 5.985 1.00 0.00 O ATOM 172 CB LYS A 11 -1.459 11.549 4.483 1.00 0.00 C ATOM 173 CG LYS A 11 -1.785 12.902 3.871 1.00 0.00 C ATOM 174 CD LYS A 11 -2.616 12.758 2.606 1.00 0.00 C ATOM 175 CE LYS A 11 -2.631 14.047 1.801 1.00 0.00 C ATOM 176 NZ LYS A 11 -1.582 14.055 0.744 1.00 0.00 N ATOM 0 H LYS A 11 -0.464 10.143 6.334 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.449 12.264 6.249 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.379 11.468 4.610 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.758 10.764 3.788 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.327 13.509 4.596 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.860 13.431 3.641 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.213 11.950 1.995 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.637 12.480 2.869 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.611 14.176 1.341 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.479 14.894 2.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.626 14.951 0.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.645 13.958 1.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.742 13.262 0.091 1.00 0.00 H new ATOM 190 N THR A 12 -4.443 11.024 5.099 1.00 0.00 N ATOM 191 CA THR A 12 -5.683 10.295 4.868 1.00 0.00 C ATOM 192 C THR A 12 -5.831 9.927 3.393 1.00 0.00 C ATOM 193 O THR A 12 -5.811 10.799 2.524 1.00 0.00 O ATOM 194 CB THR A 12 -6.883 11.129 5.320 1.00 0.00 C ATOM 195 OG1 THR A 12 -6.624 12.512 5.150 1.00 0.00 O ATOM 196 CG2 THR A 12 -7.254 10.906 6.769 1.00 0.00 C ATOM 0 H THR A 12 -4.468 12.002 4.811 1.00 0.00 H new ATOM 0 HA THR A 12 -5.648 9.376 5.453 1.00 0.00 H new ATOM 0 HB THR A 12 -7.714 10.803 4.695 1.00 0.00 H new ATOM 0 HG1 THR A 12 -7.403 13.029 5.443 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.112 11.527 7.025 1.00 0.00 H new ATOM 0 HG22 THR A 12 -7.507 9.857 6.923 1.00 0.00 H new ATOM 0 HG23 THR A 12 -6.410 11.173 7.406 1.00 0.00 H new ATOM 204 N ILE A 13 -5.976 8.632 3.113 1.00 0.00 N ATOM 205 CA ILE A 13 -6.124 8.163 1.741 1.00 0.00 C ATOM 206 C ILE A 13 -7.391 7.327 1.576 1.00 0.00 C ATOM 207 O ILE A 13 -7.850 6.689 2.522 1.00 0.00 O ATOM 208 CB ILE A 13 -4.909 7.323 1.301 1.00 0.00 C ATOM 209 CG1 ILE A 13 -4.621 6.226 2.327 1.00 0.00 C ATOM 210 CG2 ILE A 13 -3.690 8.215 1.112 1.00 0.00 C ATOM 211 CD1 ILE A 13 -3.830 5.066 1.764 1.00 0.00 C ATOM 0 H ILE A 13 -5.994 7.894 3.817 1.00 0.00 H new ATOM 0 HA ILE A 13 -6.193 9.050 1.111 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.139 6.849 0.347 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.072 6.657 3.164 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.565 5.853 2.723 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.840 7.608 0.801 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.901 8.962 0.347 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.455 8.714 2.052 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.662 4.326 2.547 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.387 4.609 0.946 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.870 5.426 1.393 1.00 0.00 H new ATOM 223 N THR A 14 -7.953 7.334 0.367 1.00 0.00 N ATOM 224 CA THR A 14 -9.165 6.575 0.086 1.00 0.00 C ATOM 225 C THR A 14 -8.847 5.334 -0.746 1.00 0.00 C ATOM 226 O THR A 14 -8.159 5.421 -1.764 1.00 0.00 O ATOM 227 CB THR A 14 -10.181 7.451 -0.650 1.00 0.00 C ATOM 228 OG1 THR A 14 -10.333 8.699 0.003 1.00 0.00 O ATOM 229 CG2 THR A 14 -11.551 6.817 -0.756 1.00 0.00 C ATOM 0 H THR A 14 -7.587 7.856 -0.429 1.00 0.00 H new ATOM 0 HA THR A 14 -9.594 6.255 1.036 1.00 0.00 H new ATOM 0 HB THR A 14 -9.779 7.578 -1.655 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.985 9.245 -0.483 1.00 0.00 H new ATOM 0 HG21 THR A 14 -12.223 7.490 -1.288 1.00 0.00 H new ATOM 0 HG22 THR A 14 -11.475 5.875 -1.299 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.943 6.629 0.243 1.00 0.00 H new ATOM 237 N LEU A 15 -9.350 4.180 -0.311 1.00 0.00 N ATOM 238 CA LEU A 15 -9.112 2.931 -1.025 1.00 0.00 C ATOM 239 C LEU A 15 -10.387 2.092 -1.100 1.00 0.00 C ATOM 240 O LEU A 15 -11.053 1.871 -0.089 1.00 0.00 O ATOM 241 CB LEU A 15 -8.000 2.132 -0.342 1.00 0.00 C ATOM 242 CG LEU A 15 -7.022 1.439 -1.293 1.00 0.00 C ATOM 243 CD1 LEU A 15 -5.620 1.426 -0.703 1.00 0.00 C ATOM 244 CD2 LEU A 15 -7.489 0.023 -1.596 1.00 0.00 C ATOM 0 H LEU A 15 -9.922 4.086 0.528 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.802 3.177 -2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.438 2.803 0.307 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.457 1.377 0.298 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.994 2.000 -2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.939 0.929 -1.394 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.285 2.450 -0.537 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.629 0.890 0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.782 -0.456 -2.274 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.546 -0.547 -0.669 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.473 0.057 -2.063 1.00 0.00 H new ATOM 256 N GLU A 16 -10.722 1.626 -2.303 1.00 0.00 N ATOM 257 CA GLU A 16 -11.917 0.813 -2.499 1.00 0.00 C ATOM 258 C GLU A 16 -11.555 -0.667 -2.596 1.00 0.00 C ATOM 259 O GLU A 16 -10.377 -1.026 -2.603 1.00 0.00 O ATOM 260 CB GLU A 16 -12.659 1.254 -3.762 1.00 0.00 C ATOM 261 CG GLU A 16 -13.506 2.501 -3.566 1.00 0.00 C ATOM 262 CD GLU A 16 -14.459 2.747 -4.720 1.00 0.00 C ATOM 263 OE1 GLU A 16 -14.044 2.557 -5.882 1.00 0.00 O ATOM 264 OE2 GLU A 16 -15.619 3.130 -4.461 1.00 0.00 O ATOM 0 H GLU A 16 -10.184 1.798 -3.152 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.569 0.954 -1.637 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.933 1.439 -4.554 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -13.299 0.439 -4.100 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -14.077 2.406 -2.642 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.852 3.365 -3.449 1.00 0.00 H new ATOM 271 N VAL A 17 -12.571 -1.525 -2.674 1.00 0.00 N ATOM 272 CA VAL A 17 -12.346 -2.962 -2.772 1.00 0.00 C ATOM 273 C VAL A 17 -13.198 -3.582 -3.877 1.00 0.00 C ATOM 274 O VAL A 17 -14.417 -3.691 -3.747 1.00 0.00 O ATOM 275 CB VAL A 17 -12.658 -3.672 -1.440 1.00 0.00 C ATOM 276 CG1 VAL A 17 -12.266 -5.140 -1.510 1.00 0.00 C ATOM 277 CG2 VAL A 17 -11.947 -2.977 -0.288 1.00 0.00 C ATOM 0 H VAL A 17 -13.553 -1.249 -2.671 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.292 -3.099 -3.011 1.00 0.00 H new ATOM 0 HB VAL A 17 -13.732 -3.617 -1.263 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -12.494 -5.623 -0.560 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -12.824 -5.628 -2.309 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -11.198 -5.222 -1.711 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -12.178 -3.491 0.645 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.871 -3.000 -0.458 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -12.283 -1.942 -0.225 1.00 0.00 H new ATOM 287 N GLU A 18 -12.548 -3.991 -4.966 1.00 0.00 N ATOM 288 CA GLU A 18 -13.247 -4.603 -6.089 1.00 0.00 C ATOM 289 C GLU A 18 -12.968 -6.103 -6.139 1.00 0.00 C ATOM 290 O GLU A 18 -11.969 -6.573 -5.595 1.00 0.00 O ATOM 291 CB GLU A 18 -12.816 -3.945 -7.403 1.00 0.00 C ATOM 292 CG GLU A 18 -11.319 -4.017 -7.657 1.00 0.00 C ATOM 293 CD GLU A 18 -10.648 -2.658 -7.584 1.00 0.00 C ATOM 294 OE1 GLU A 18 -10.972 -1.790 -8.422 1.00 0.00 O ATOM 295 OE2 GLU A 18 -9.799 -2.462 -6.688 1.00 0.00 O ATOM 0 H GLU A 18 -11.539 -3.909 -5.092 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.318 -4.452 -5.953 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -13.340 -4.426 -8.229 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.125 -2.900 -7.395 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.862 -4.683 -6.925 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.142 -4.453 -8.640 1.00 0.00 H new ATOM 302 N PRO A 19 -13.845 -6.880 -6.796 1.00 0.00 N ATOM 303 CA PRO A 19 -13.681 -8.330 -6.914 1.00 0.00 C ATOM 304 C PRO A 19 -12.257 -8.716 -7.312 1.00 0.00 C ATOM 305 O PRO A 19 -11.617 -9.526 -6.643 1.00 0.00 O ATOM 306 CB PRO A 19 -14.679 -8.728 -8.016 1.00 0.00 C ATOM 307 CG PRO A 19 -15.225 -7.446 -8.563 1.00 0.00 C ATOM 308 CD PRO A 19 -15.059 -6.421 -7.479 1.00 0.00 C ATOM 0 HA PRO A 19 -13.862 -8.837 -5.966 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -14.187 -9.307 -8.797 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -15.477 -9.351 -7.613 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.690 -7.149 -9.465 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -16.274 -7.556 -8.837 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.942 -5.416 -7.884 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.918 -6.396 -6.808 1.00 0.00 H new ATOM 316 N SER A 20 -11.764 -8.131 -8.405 1.00 0.00 N ATOM 317 CA SER A 20 -10.413 -8.416 -8.884 1.00 0.00 C ATOM 318 C SER A 20 -9.378 -7.457 -8.281 1.00 0.00 C ATOM 319 O SER A 20 -8.475 -6.999 -8.982 1.00 0.00 O ATOM 320 CB SER A 20 -10.365 -8.338 -10.413 1.00 0.00 C ATOM 321 OG SER A 20 -11.017 -7.172 -10.885 1.00 0.00 O ATOM 0 H SER A 20 -12.280 -7.459 -8.973 1.00 0.00 H new ATOM 0 HA SER A 20 -10.160 -9.426 -8.562 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.328 -8.339 -10.748 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.839 -9.222 -10.840 1.00 0.00 H new ATOM 0 HG SER A 20 -10.971 -7.145 -11.864 1.00 0.00 H new ATOM 327 N ASP A 21 -9.503 -7.153 -6.988 1.00 0.00 N ATOM 328 CA ASP A 21 -8.560 -6.249 -6.330 1.00 0.00 C ATOM 329 C ASP A 21 -7.222 -6.941 -6.082 1.00 0.00 C ATOM 330 O ASP A 21 -7.046 -7.623 -5.073 1.00 0.00 O ATOM 331 CB ASP A 21 -9.132 -5.744 -5.003 1.00 0.00 C ATOM 332 CG ASP A 21 -8.331 -4.592 -4.429 1.00 0.00 C ATOM 333 OD1 ASP A 21 -7.323 -4.855 -3.741 1.00 0.00 O ATOM 334 OD2 ASP A 21 -8.713 -3.427 -4.665 1.00 0.00 O ATOM 0 H ASP A 21 -10.239 -7.515 -6.382 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.397 -5.400 -6.994 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.164 -5.426 -5.153 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.152 -6.563 -4.284 1.00 0.00 H new ATOM 339 N THR A 22 -6.277 -6.758 -7.003 1.00 0.00 N ATOM 340 CA THR A 22 -4.958 -7.366 -6.870 1.00 0.00 C ATOM 341 C THR A 22 -4.043 -6.488 -6.016 1.00 0.00 C ATOM 342 O THR A 22 -3.909 -5.291 -6.267 1.00 0.00 O ATOM 343 CB THR A 22 -4.329 -7.600 -8.247 1.00 0.00 C ATOM 344 OG1 THR A 22 -4.997 -6.840 -9.240 1.00 0.00 O ATOM 345 CG2 THR A 22 -4.363 -9.051 -8.680 1.00 0.00 C ATOM 0 H THR A 22 -6.401 -6.196 -7.845 1.00 0.00 H new ATOM 0 HA THR A 22 -5.078 -8.329 -6.374 1.00 0.00 H new ATOM 0 HB THR A 22 -3.289 -7.290 -8.146 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.580 -7.002 -10.112 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.902 -9.148 -9.663 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.814 -9.658 -7.960 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.397 -9.392 -8.729 1.00 0.00 H new ATOM 353 N ILE A 23 -3.418 -7.088 -5.003 1.00 0.00 N ATOM 354 CA ILE A 23 -2.521 -6.350 -4.117 1.00 0.00 C ATOM 355 C ILE A 23 -1.381 -5.691 -4.901 1.00 0.00 C ATOM 356 O ILE A 23 -0.935 -4.597 -4.555 1.00 0.00 O ATOM 357 CB ILE A 23 -1.924 -7.262 -3.022 1.00 0.00 C ATOM 358 CG1 ILE A 23 -3.042 -7.902 -2.195 1.00 0.00 C ATOM 359 CG2 ILE A 23 -0.984 -6.473 -2.121 1.00 0.00 C ATOM 360 CD1 ILE A 23 -2.769 -9.342 -1.820 1.00 0.00 C ATOM 0 H ILE A 23 -3.516 -8.078 -4.777 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.122 -5.575 -3.641 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.352 -8.053 -3.507 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.188 -7.320 -1.285 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.974 -7.852 -2.759 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.574 -7.133 -1.356 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.171 -6.059 -2.717 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.533 -5.662 -1.643 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.603 -9.730 -1.235 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.652 -9.938 -2.725 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.855 -9.397 -1.229 1.00 0.00 H new ATOM 372 N GLU A 24 -0.912 -6.359 -5.956 1.00 0.00 N ATOM 373 CA GLU A 24 0.176 -5.821 -6.773 1.00 0.00 C ATOM 374 C GLU A 24 -0.299 -4.629 -7.606 1.00 0.00 C ATOM 375 O GLU A 24 0.414 -3.635 -7.741 1.00 0.00 O ATOM 376 CB GLU A 24 0.747 -6.904 -7.693 1.00 0.00 C ATOM 377 CG GLU A 24 1.968 -7.606 -7.122 1.00 0.00 C ATOM 378 CD GLU A 24 3.269 -6.957 -7.554 1.00 0.00 C ATOM 379 OE1 GLU A 24 3.725 -6.024 -6.862 1.00 0.00 O ATOM 380 OE2 GLU A 24 3.830 -7.384 -8.586 1.00 0.00 O ATOM 0 H GLU A 24 -1.265 -7.266 -6.263 1.00 0.00 H new ATOM 0 HA GLU A 24 0.961 -5.480 -6.097 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.027 -7.645 -7.892 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.011 -6.454 -8.650 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.909 -7.603 -6.034 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.964 -8.649 -7.438 1.00 0.00 H new ATOM 387 N ASN A 25 -1.503 -4.735 -8.168 1.00 0.00 N ATOM 388 CA ASN A 25 -2.058 -3.661 -8.991 1.00 0.00 C ATOM 389 C ASN A 25 -2.490 -2.473 -8.133 1.00 0.00 C ATOM 390 O ASN A 25 -2.258 -1.320 -8.497 1.00 0.00 O ATOM 391 CB ASN A 25 -3.247 -4.168 -9.810 1.00 0.00 C ATOM 392 CG ASN A 25 -2.812 -4.908 -11.064 1.00 0.00 C ATOM 393 OD1 ASN A 25 -1.972 -5.804 -11.004 1.00 0.00 O ATOM 394 ND2 ASN A 25 -3.381 -4.537 -12.210 1.00 0.00 N ATOM 0 H ASN A 25 -2.110 -5.549 -8.069 1.00 0.00 H new ATOM 0 HA ASN A 25 -1.273 -3.329 -9.671 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.854 -4.830 -9.193 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.878 -3.325 -10.089 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.124 -5.001 -13.081 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.074 -3.789 -12.216 1.00 0.00 H new ATOM 401 N VAL A 26 -3.121 -2.754 -6.993 1.00 0.00 N ATOM 402 CA VAL A 26 -3.580 -1.693 -6.098 1.00 0.00 C ATOM 403 C VAL A 26 -2.404 -0.889 -5.541 1.00 0.00 C ATOM 404 O VAL A 26 -2.506 0.325 -5.362 1.00 0.00 O ATOM 405 CB VAL A 26 -4.412 -2.253 -4.925 1.00 0.00 C ATOM 406 CG1 VAL A 26 -3.552 -3.116 -4.014 1.00 0.00 C ATOM 407 CG2 VAL A 26 -5.060 -1.120 -4.145 1.00 0.00 C ATOM 0 H VAL A 26 -3.325 -3.700 -6.670 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.214 -1.037 -6.695 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.202 -2.883 -5.335 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.161 -3.499 -3.195 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.143 -3.951 -4.583 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.736 -2.517 -3.610 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.643 -1.532 -3.321 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.287 -0.462 -3.749 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.716 -0.552 -4.805 1.00 0.00 H new ATOM 417 N LYS A 27 -1.287 -1.567 -5.271 1.00 0.00 N ATOM 418 CA LYS A 27 -0.101 -0.899 -4.737 1.00 0.00 C ATOM 419 C LYS A 27 0.336 0.247 -5.649 1.00 0.00 C ATOM 420 O LYS A 27 0.713 1.319 -5.173 1.00 0.00 O ATOM 421 CB LYS A 27 1.049 -1.896 -4.569 1.00 0.00 C ATOM 422 CG LYS A 27 2.022 -1.523 -3.462 1.00 0.00 C ATOM 423 CD LYS A 27 3.311 -0.944 -4.021 1.00 0.00 C ATOM 424 CE LYS A 27 4.524 -1.427 -3.242 1.00 0.00 C ATOM 425 NZ LYS A 27 5.202 -2.568 -3.918 1.00 0.00 N ATOM 0 H LYS A 27 -1.180 -2.571 -5.412 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.360 -0.489 -3.761 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.636 -2.883 -4.360 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.594 -1.971 -5.510 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.555 -0.797 -2.796 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.248 -2.405 -2.863 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.414 -1.227 -5.069 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.266 0.145 -3.988 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.230 -0.605 -3.123 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.215 -1.730 -2.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.023 -2.867 -3.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.537 -3.362 -4.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.520 -2.272 -4.863 1.00 0.00 H new ATOM 439 N ALA A 28 0.284 0.018 -6.961 1.00 0.00 N ATOM 440 CA ALA A 28 0.675 1.042 -7.929 1.00 0.00 C ATOM 441 C ALA A 28 -0.154 2.315 -7.757 1.00 0.00 C ATOM 442 O ALA A 28 0.351 3.421 -7.951 1.00 0.00 O ATOM 443 CB ALA A 28 0.540 0.514 -9.351 1.00 0.00 C ATOM 0 H ALA A 28 -0.023 -0.862 -7.376 1.00 0.00 H new ATOM 0 HA ALA A 28 1.720 1.291 -7.744 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.835 1.290 -10.057 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.184 -0.356 -9.479 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.496 0.230 -9.537 1.00 0.00 H new ATOM 449 N LYS A 29 -1.428 2.160 -7.392 1.00 0.00 N ATOM 450 CA LYS A 29 -2.309 3.309 -7.200 1.00 0.00 C ATOM 451 C LYS A 29 -1.816 4.185 -6.050 1.00 0.00 C ATOM 452 O LYS A 29 -1.802 5.411 -6.157 1.00 0.00 O ATOM 453 CB LYS A 29 -3.745 2.852 -6.926 1.00 0.00 C ATOM 454 CG LYS A 29 -4.375 2.098 -8.085 1.00 0.00 C ATOM 455 CD LYS A 29 -5.315 1.008 -7.596 1.00 0.00 C ATOM 456 CE LYS A 29 -6.767 1.457 -7.651 1.00 0.00 C ATOM 457 NZ LYS A 29 -7.697 0.384 -7.204 1.00 0.00 N ATOM 0 H LYS A 29 -1.869 1.256 -7.225 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.296 3.896 -8.118 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.752 2.214 -6.042 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.357 3.724 -6.695 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.923 2.795 -8.719 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.592 1.655 -8.701 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.186 0.114 -8.207 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.056 0.735 -6.573 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.899 2.337 -7.022 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.017 1.753 -8.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.677 0.730 -7.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.590 -0.447 -7.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.475 0.119 -6.223 1.00 0.00 H new ATOM 471 N ILE A 30 -1.405 3.552 -4.951 1.00 0.00 N ATOM 472 CA ILE A 30 -0.908 4.288 -3.793 1.00 0.00 C ATOM 473 C ILE A 30 0.403 4.997 -4.125 1.00 0.00 C ATOM 474 O ILE A 30 0.557 6.189 -3.861 1.00 0.00 O ATOM 475 CB ILE A 30 -0.687 3.362 -2.579 1.00 0.00 C ATOM 476 CG1 ILE A 30 -1.945 2.533 -2.303 1.00 0.00 C ATOM 477 CG2 ILE A 30 -0.303 4.176 -1.352 1.00 0.00 C ATOM 478 CD1 ILE A 30 -1.670 1.054 -2.139 1.00 0.00 C ATOM 0 H ILE A 30 -1.407 2.538 -4.840 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.669 5.025 -3.535 1.00 0.00 H new ATOM 0 HB ILE A 30 0.131 2.680 -2.808 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.426 2.907 -1.399 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.651 2.675 -3.122 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.151 3.507 -0.505 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.618 4.723 -1.552 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.101 4.881 -1.119 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.606 0.529 -1.946 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.217 0.665 -3.051 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.989 0.901 -1.302 1.00 0.00 H new ATOM 490 N GLN A 31 1.344 4.258 -4.712 1.00 0.00 N ATOM 491 CA GLN A 31 2.639 4.827 -5.084 1.00 0.00 C ATOM 492 C GLN A 31 2.483 5.893 -6.170 1.00 0.00 C ATOM 493 O GLN A 31 3.315 6.793 -6.287 1.00 0.00 O ATOM 494 CB GLN A 31 3.590 3.727 -5.568 1.00 0.00 C ATOM 495 CG GLN A 31 5.022 3.905 -5.089 1.00 0.00 C ATOM 496 CD GLN A 31 5.153 3.776 -3.582 1.00 0.00 C ATOM 497 OE1 GLN A 31 4.166 3.876 -2.854 1.00 0.00 O ATOM 498 NE2 GLN A 31 6.375 3.554 -3.102 1.00 0.00 N ATOM 0 H GLN A 31 1.235 3.270 -4.939 1.00 0.00 H new ATOM 0 HA GLN A 31 3.061 5.299 -4.197 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.219 2.761 -5.226 1.00 0.00 H new ATOM 0 HB3 GLN A 31 3.581 3.704 -6.658 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.657 3.162 -5.570 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.386 4.884 -5.399 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.167 3.477 -3.740 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.519 3.460 -2.097 1.00 0.00 H new ATOM 507 N ASP A 32 1.417 5.791 -6.968 1.00 0.00 N ATOM 508 CA ASP A 32 1.168 6.751 -8.044 1.00 0.00 C ATOM 509 C ASP A 32 1.233 8.198 -7.545 1.00 0.00 C ATOM 510 O ASP A 32 1.614 9.097 -8.295 1.00 0.00 O ATOM 511 CB ASP A 32 -0.198 6.492 -8.688 1.00 0.00 C ATOM 512 CG ASP A 32 -0.253 6.947 -10.133 1.00 0.00 C ATOM 513 OD1 ASP A 32 0.696 6.644 -10.887 1.00 0.00 O ATOM 514 OD2 ASP A 32 -1.243 7.606 -10.511 1.00 0.00 O ATOM 0 H ASP A 32 0.715 5.055 -6.889 1.00 0.00 H new ATOM 0 HA ASP A 32 1.954 6.613 -8.786 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.424 5.427 -8.637 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.969 7.010 -8.118 1.00 0.00 H new ATOM 519 N LYS A 33 0.860 8.424 -6.285 1.00 0.00 N ATOM 520 CA LYS A 33 0.884 9.772 -5.719 1.00 0.00 C ATOM 521 C LYS A 33 2.305 10.196 -5.344 1.00 0.00 C ATOM 522 O LYS A 33 2.605 11.389 -5.286 1.00 0.00 O ATOM 523 CB LYS A 33 -0.027 9.860 -4.489 1.00 0.00 C ATOM 524 CG LYS A 33 0.330 8.869 -3.391 1.00 0.00 C ATOM 525 CD LYS A 33 0.537 9.563 -2.054 1.00 0.00 C ATOM 526 CE LYS A 33 -0.758 9.645 -1.263 1.00 0.00 C ATOM 527 NZ LYS A 33 -0.817 10.869 -0.415 1.00 0.00 N ATOM 0 H LYS A 33 0.541 7.699 -5.643 1.00 0.00 H new ATOM 0 HA LYS A 33 0.515 10.454 -6.485 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.021 10.871 -4.084 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.058 9.690 -4.799 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.464 8.128 -3.297 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.237 8.331 -3.667 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.285 9.022 -1.474 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.927 10.567 -2.221 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.604 9.639 -1.950 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.854 8.762 -0.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.716 10.886 0.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.025 10.863 0.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.751 11.713 -1.019 1.00 0.00 H new ATOM 541 N GLU A 34 3.180 9.222 -5.083 1.00 0.00 N ATOM 542 CA GLU A 34 4.559 9.513 -4.708 1.00 0.00 C ATOM 543 C GLU A 34 4.622 10.111 -3.305 1.00 0.00 C ATOM 544 O GLU A 34 5.473 10.954 -3.019 1.00 0.00 O ATOM 545 CB GLU A 34 5.201 10.473 -5.714 1.00 0.00 C ATOM 546 CG GLU A 34 4.914 10.116 -7.164 1.00 0.00 C ATOM 547 CD GLU A 34 5.436 11.158 -8.134 1.00 0.00 C ATOM 548 OE1 GLU A 34 4.859 12.265 -8.184 1.00 0.00 O ATOM 549 OE2 GLU A 34 6.421 10.867 -8.845 1.00 0.00 O ATOM 0 H GLU A 34 2.955 8.228 -5.125 1.00 0.00 H new ATOM 0 HA GLU A 34 5.114 8.575 -4.714 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.842 11.484 -5.519 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.280 10.482 -5.557 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.367 9.152 -7.394 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.838 10.004 -7.301 1.00 0.00 H new ATOM 556 N GLY A 35 3.717 9.671 -2.429 1.00 0.00 N ATOM 557 CA GLY A 35 3.699 10.179 -1.071 1.00 0.00 C ATOM 558 C GLY A 35 4.569 9.364 -0.132 1.00 0.00 C ATOM 559 O GLY A 35 5.250 9.921 0.727 1.00 0.00 O ATOM 0 H GLY A 35 3.001 8.975 -2.638 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.040 11.214 -1.070 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.674 10.181 -0.701 1.00 0.00 H new ATOM 563 N ILE A 36 4.545 8.039 -0.292 1.00 0.00 N ATOM 564 CA ILE A 36 5.340 7.154 0.555 1.00 0.00 C ATOM 565 C ILE A 36 6.732 6.924 -0.039 1.00 0.00 C ATOM 566 O ILE A 36 6.871 6.258 -1.064 1.00 0.00 O ATOM 567 CB ILE A 36 4.647 5.790 0.749 1.00 0.00 C ATOM 568 CG1 ILE A 36 3.197 5.987 1.197 1.00 0.00 C ATOM 569 CG2 ILE A 36 5.409 4.948 1.760 1.00 0.00 C ATOM 570 CD1 ILE A 36 2.225 5.036 0.533 1.00 0.00 C ATOM 0 H ILE A 36 3.986 7.559 -0.997 1.00 0.00 H new ATOM 0 HA ILE A 36 5.437 7.646 1.523 1.00 0.00 H new ATOM 0 HB ILE A 36 4.644 5.263 -0.205 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.138 5.858 2.278 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.895 7.012 0.982 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.907 3.988 1.886 1.00 0.00 H new ATOM 0 HG22 ILE A 36 6.425 4.782 1.403 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.441 5.469 2.717 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.217 5.233 0.898 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.255 5.181 -0.547 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.502 4.009 0.769 1.00 0.00 H new ATOM 582 N PRO A 37 7.783 7.475 0.598 1.00 0.00 N ATOM 583 CA PRO A 37 9.163 7.322 0.117 1.00 0.00 C ATOM 584 C PRO A 37 9.598 5.860 -0.002 1.00 0.00 C ATOM 585 O PRO A 37 10.180 5.465 -1.013 1.00 0.00 O ATOM 586 CB PRO A 37 10.001 8.040 1.181 1.00 0.00 C ATOM 587 CG PRO A 37 9.055 8.970 1.856 1.00 0.00 C ATOM 588 CD PRO A 37 7.717 8.290 1.825 1.00 0.00 C ATOM 0 HA PRO A 37 9.278 7.730 -0.887 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.430 7.331 1.889 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.832 8.582 0.729 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.368 9.170 2.881 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.017 9.930 1.341 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.558 7.674 2.710 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.900 9.010 1.787 1.00 0.00 H new ATOM 596 N PRO A 38 9.336 5.031 1.029 1.00 0.00 N ATOM 597 CA PRO A 38 9.725 3.618 1.014 1.00 0.00 C ATOM 598 C PRO A 38 8.846 2.769 0.096 1.00 0.00 C ATOM 599 O PRO A 38 7.634 2.678 0.289 1.00 0.00 O ATOM 600 CB PRO A 38 9.551 3.188 2.470 1.00 0.00 C ATOM 601 CG PRO A 38 8.501 4.093 3.011 1.00 0.00 C ATOM 602 CD PRO A 38 8.657 5.403 2.286 1.00 0.00 C ATOM 0 HA PRO A 38 10.736 3.483 0.630 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.247 2.143 2.540 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.483 3.287 3.026 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.507 3.675 2.850 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.620 4.227 4.086 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.692 5.872 2.096 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.248 6.113 2.865 1.00 0.00 H new ATOM 610 N ASP A 39 9.472 2.140 -0.898 1.00 0.00 N ATOM 611 CA ASP A 39 8.759 1.285 -1.843 1.00 0.00 C ATOM 612 C ASP A 39 8.251 0.013 -1.163 1.00 0.00 C ATOM 613 O ASP A 39 7.354 -0.653 -1.679 1.00 0.00 O ATOM 614 CB ASP A 39 9.663 0.916 -3.024 1.00 0.00 C ATOM 615 CG ASP A 39 8.876 0.429 -4.225 1.00 0.00 C ATOM 616 OD1 ASP A 39 7.701 0.043 -4.049 1.00 0.00 O ATOM 617 OD2 ASP A 39 9.434 0.434 -5.343 1.00 0.00 O ATOM 0 H ASP A 39 10.475 2.208 -1.069 1.00 0.00 H new ATOM 0 HA ASP A 39 7.900 1.846 -2.213 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.256 1.785 -3.310 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.363 0.141 -2.713 1.00 0.00 H new ATOM 622 N GLN A 40 8.824 -0.325 -0.004 1.00 0.00 N ATOM 623 CA GLN A 40 8.412 -1.521 0.726 1.00 0.00 C ATOM 624 C GLN A 40 7.332 -1.201 1.763 1.00 0.00 C ATOM 625 O GLN A 40 7.288 -1.823 2.825 1.00 0.00 O ATOM 626 CB GLN A 40 9.618 -2.164 1.416 1.00 0.00 C ATOM 627 CG GLN A 40 10.444 -3.050 0.499 1.00 0.00 C ATOM 628 CD GLN A 40 11.516 -3.822 1.247 1.00 0.00 C ATOM 629 OE1 GLN A 40 11.566 -5.051 1.185 1.00 0.00 O ATOM 630 NE2 GLN A 40 12.382 -3.108 1.962 1.00 0.00 N ATOM 0 H GLN A 40 9.568 0.210 0.444 1.00 0.00 H new ATOM 0 HA GLN A 40 7.993 -2.221 0.003 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.256 -1.378 1.820 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.269 -2.757 2.262 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.785 -3.752 -0.012 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.913 -2.435 -0.269 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.306 -2.091 1.987 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.121 -3.578 2.485 1.00 0.00 H new ATOM 639 N GLN A 41 6.458 -0.243 1.455 1.00 0.00 N ATOM 640 CA GLN A 41 5.385 0.126 2.375 1.00 0.00 C ATOM 641 C GLN A 41 4.209 -0.839 2.231 1.00 0.00 C ATOM 642 O GLN A 41 3.533 -0.856 1.202 1.00 0.00 O ATOM 643 CB GLN A 41 4.921 1.565 2.114 1.00 0.00 C ATOM 644 CG GLN A 41 3.656 1.951 2.868 1.00 0.00 C ATOM 645 CD GLN A 41 3.867 2.019 4.370 1.00 0.00 C ATOM 646 OE1 GLN A 41 4.758 2.904 4.812 1.00 0.00 O flip ATOM 647 NE2 GLN A 41 3.235 1.281 5.127 1.00 0.00 N flip ATOM 0 H GLN A 41 6.472 0.287 0.583 1.00 0.00 H new ATOM 0 HA GLN A 41 5.769 0.065 3.393 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.721 2.251 2.392 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.749 1.693 1.045 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.306 2.919 2.510 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.871 1.227 2.648 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.561 0.617 4.746 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.385 1.334 6.134 1.00 0.00 H new ATOM 656 N ARG A 42 3.972 -1.646 3.265 1.00 0.00 N ATOM 657 CA ARG A 42 2.881 -2.615 3.242 1.00 0.00 C ATOM 658 C ARG A 42 2.177 -2.675 4.597 1.00 0.00 C ATOM 659 O ARG A 42 2.564 -1.981 5.536 1.00 0.00 O ATOM 660 CB ARG A 42 3.417 -3.998 2.865 1.00 0.00 C ATOM 661 CG ARG A 42 4.613 -4.433 3.696 1.00 0.00 C ATOM 662 CD ARG A 42 4.602 -5.935 3.947 1.00 0.00 C ATOM 663 NE ARG A 42 5.645 -6.348 4.887 1.00 0.00 N ATOM 664 CZ ARG A 42 5.607 -7.481 5.586 1.00 0.00 C ATOM 665 NH1 ARG A 42 4.585 -8.318 5.452 1.00 0.00 N ATOM 666 NH2 ARG A 42 6.595 -7.781 6.419 1.00 0.00 N ATOM 0 H ARG A 42 4.520 -1.647 4.125 1.00 0.00 H new ATOM 0 HA ARG A 42 2.155 -2.297 2.494 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.619 -4.732 2.980 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.698 -3.995 1.812 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.534 -4.156 3.183 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.607 -3.904 4.649 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.627 -6.229 4.337 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.739 -6.460 3.002 1.00 0.00 H new ATOM 0 HE ARG A 42 6.448 -5.732 5.014 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.824 -8.095 4.811 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.561 -9.184 5.990 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.384 -7.144 6.524 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.565 -8.649 6.954 1.00 0.00 H new ATOM 680 N LEU A 43 1.142 -3.510 4.694 1.00 0.00 N ATOM 681 CA LEU A 43 0.394 -3.652 5.939 1.00 0.00 C ATOM 682 C LEU A 43 0.872 -4.871 6.725 1.00 0.00 C ATOM 683 O LEU A 43 1.589 -5.719 6.194 1.00 0.00 O ATOM 684 CB LEU A 43 -1.104 -3.775 5.648 1.00 0.00 C ATOM 685 CG LEU A 43 -1.521 -5.060 4.928 1.00 0.00 C ATOM 686 CD1 LEU A 43 -2.826 -5.595 5.497 1.00 0.00 C ATOM 687 CD2 LEU A 43 -1.650 -4.815 3.430 1.00 0.00 C ATOM 0 H LEU A 43 0.805 -4.094 3.929 1.00 0.00 H new ATOM 0 HA LEU A 43 0.568 -2.761 6.542 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.648 -3.712 6.590 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.413 -2.922 5.044 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.746 -5.810 5.089 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.105 -6.508 4.972 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.699 -5.811 6.558 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.611 -4.850 5.370 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.947 -5.739 2.934 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.404 -4.048 3.250 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.692 -4.482 3.032 1.00 0.00 H new ATOM 699 N ILE A 44 0.472 -4.954 7.993 1.00 0.00 N ATOM 700 CA ILE A 44 0.867 -6.071 8.845 1.00 0.00 C ATOM 701 C ILE A 44 -0.321 -6.988 9.139 1.00 0.00 C ATOM 702 O ILE A 44 -1.031 -6.802 10.127 1.00 0.00 O ATOM 703 CB ILE A 44 1.477 -5.577 10.174 1.00 0.00 C ATOM 704 CG1 ILE A 44 1.917 -6.764 11.036 1.00 0.00 C ATOM 705 CG2 ILE A 44 0.486 -4.702 10.932 1.00 0.00 C ATOM 706 CD1 ILE A 44 2.781 -6.368 12.214 1.00 0.00 C ATOM 0 H ILE A 44 -0.123 -4.263 8.450 1.00 0.00 H new ATOM 0 HA ILE A 44 1.624 -6.635 8.300 1.00 0.00 H new ATOM 0 HB ILE A 44 2.355 -4.974 9.943 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.032 -7.284 11.403 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.466 -7.471 10.414 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.938 -4.365 11.865 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.224 -3.837 10.323 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.414 -5.277 11.151 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.055 -7.258 12.780 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.684 -5.875 11.854 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.227 -5.685 12.858 1.00 0.00 H new ATOM 718 N PHE A 45 -0.533 -7.979 8.276 1.00 0.00 N ATOM 719 CA PHE A 45 -1.636 -8.920 8.453 1.00 0.00 C ATOM 720 C PHE A 45 -1.297 -10.286 7.856 1.00 0.00 C ATOM 721 O PHE A 45 -1.236 -10.441 6.637 1.00 0.00 O ATOM 722 CB PHE A 45 -2.911 -8.370 7.811 1.00 0.00 C ATOM 723 CG PHE A 45 -4.154 -8.654 8.606 1.00 0.00 C ATOM 724 CD1 PHE A 45 -4.819 -9.862 8.469 1.00 0.00 C ATOM 725 CD2 PHE A 45 -4.655 -7.713 9.490 1.00 0.00 C ATOM 726 CE1 PHE A 45 -5.962 -10.125 9.199 1.00 0.00 C ATOM 727 CE2 PHE A 45 -5.798 -7.971 10.223 1.00 0.00 C ATOM 728 CZ PHE A 45 -6.452 -9.179 10.078 1.00 0.00 C ATOM 0 H PHE A 45 0.042 -8.151 7.451 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.801 -9.047 9.523 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.809 -7.292 7.685 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.021 -8.799 6.815 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.440 -10.606 7.784 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.147 -6.767 9.608 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.472 -11.070 9.082 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.179 -7.229 10.909 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.345 -9.383 10.651 1.00 0.00 H new ATOM 738 N ALA A 46 -1.080 -11.274 8.722 1.00 0.00 N ATOM 739 CA ALA A 46 -0.748 -12.623 8.277 1.00 0.00 C ATOM 740 C ALA A 46 0.558 -12.647 7.483 1.00 0.00 C ATOM 741 O ALA A 46 0.712 -13.442 6.556 1.00 0.00 O ATOM 742 CB ALA A 46 -1.886 -13.192 7.440 1.00 0.00 C ATOM 0 H ALA A 46 -1.128 -11.164 9.735 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.608 -13.243 9.162 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.628 -14.199 7.113 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.796 -13.227 8.039 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.049 -12.558 6.569 1.00 0.00 H new ATOM 748 N GLY A 47 1.502 -11.777 7.852 1.00 0.00 N ATOM 749 CA GLY A 47 2.782 -11.728 7.161 1.00 0.00 C ATOM 750 C GLY A 47 2.640 -11.742 5.647 1.00 0.00 C ATOM 751 O GLY A 47 3.354 -12.474 4.962 1.00 0.00 O ATOM 0 H GLY A 47 1.402 -11.108 8.615 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.317 -10.827 7.462 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.389 -12.578 7.471 1.00 0.00 H new ATOM 755 N LYS A 48 1.718 -10.937 5.123 1.00 0.00 N ATOM 756 CA LYS A 48 1.498 -10.873 3.681 1.00 0.00 C ATOM 757 C LYS A 48 2.162 -9.634 3.082 1.00 0.00 C ATOM 758 O LYS A 48 1.977 -8.521 3.575 1.00 0.00 O ATOM 759 CB LYS A 48 -0.001 -10.864 3.371 1.00 0.00 C ATOM 760 CG LYS A 48 -0.337 -11.357 1.972 1.00 0.00 C ATOM 761 CD LYS A 48 0.232 -12.744 1.716 1.00 0.00 C ATOM 762 CE LYS A 48 -0.343 -13.358 0.450 1.00 0.00 C ATOM 763 NZ LYS A 48 0.517 -14.453 -0.076 1.00 0.00 N ATOM 0 H LYS A 48 1.115 -10.324 5.672 1.00 0.00 H new ATOM 0 HA LYS A 48 1.949 -11.758 3.231 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.518 -11.487 4.101 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.382 -9.850 3.491 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.419 -11.377 1.843 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.059 -10.659 1.235 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.317 -12.683 1.632 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.014 -13.390 2.566 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.340 -13.747 0.656 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.453 -12.585 -0.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.090 -14.845 -0.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.461 -14.077 -0.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.601 -15.203 0.640 1.00 0.00 H new ATOM 777 N GLN A 49 2.937 -9.833 2.016 1.00 0.00 N ATOM 778 CA GLN A 49 3.623 -8.727 1.357 1.00 0.00 C ATOM 779 C GLN A 49 2.745 -8.109 0.269 1.00 0.00 C ATOM 780 O GLN A 49 1.824 -8.752 -0.233 1.00 0.00 O ATOM 781 CB GLN A 49 4.948 -9.202 0.752 1.00 0.00 C ATOM 782 CG GLN A 49 6.136 -9.037 1.685 1.00 0.00 C ATOM 783 CD GLN A 49 7.430 -8.761 0.940 1.00 0.00 C ATOM 784 OE1 GLN A 49 7.611 -9.208 -0.193 1.00 0.00 O ATOM 785 NE2 GLN A 49 8.340 -8.020 1.570 1.00 0.00 N ATOM 0 H GLN A 49 3.104 -10.746 1.593 1.00 0.00 H new ATOM 0 HA GLN A 49 3.829 -7.965 2.109 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.856 -10.253 0.476 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.138 -8.647 -0.167 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.938 -8.219 2.378 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.251 -9.941 2.284 1.00 0.00 H new ATOM 0 HE21 GLN A 49 8.151 -7.669 2.509 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.226 -7.804 1.114 1.00 0.00 H new ATOM 794 N LEU A 50 3.037 -6.860 -0.091 1.00 0.00 N ATOM 795 CA LEU A 50 2.268 -6.164 -1.121 1.00 0.00 C ATOM 796 C LEU A 50 2.697 -6.604 -2.523 1.00 0.00 C ATOM 797 O LEU A 50 1.873 -6.684 -3.434 1.00 0.00 O ATOM 798 CB LEU A 50 2.423 -4.645 -0.978 1.00 0.00 C ATOM 799 CG LEU A 50 1.200 -3.922 -0.410 1.00 0.00 C ATOM 800 CD1 LEU A 50 0.821 -4.496 0.946 1.00 0.00 C ATOM 801 CD2 LEU A 50 1.470 -2.428 -0.303 1.00 0.00 C ATOM 0 H LEU A 50 3.796 -6.312 0.313 1.00 0.00 H new ATOM 0 HA LEU A 50 1.219 -6.426 -0.985 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.279 -4.441 -0.334 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.653 -4.224 -1.957 1.00 0.00 H new ATOM 0 HG LEU A 50 0.362 -4.074 -1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.051 -3.969 1.333 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.587 -5.555 0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.655 -4.376 1.638 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.591 -1.927 0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.321 -2.258 0.357 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.692 -2.027 -1.292 1.00 0.00 H new ATOM 813 N GLU A 51 3.989 -6.889 -2.694 1.00 0.00 N ATOM 814 CA GLU A 51 4.508 -7.318 -3.992 1.00 0.00 C ATOM 815 C GLU A 51 4.210 -8.797 -4.260 1.00 0.00 C ATOM 816 O GLU A 51 4.403 -9.274 -5.379 1.00 0.00 O ATOM 817 CB GLU A 51 6.018 -7.071 -4.072 1.00 0.00 C ATOM 818 CG GLU A 51 6.822 -7.876 -3.064 1.00 0.00 C ATOM 819 CD GLU A 51 8.140 -8.367 -3.628 1.00 0.00 C ATOM 820 OE1 GLU A 51 8.125 -9.338 -4.414 1.00 0.00 O ATOM 821 OE2 GLU A 51 9.188 -7.782 -3.284 1.00 0.00 O ATOM 0 H GLU A 51 4.690 -6.831 -1.955 1.00 0.00 H new ATOM 0 HA GLU A 51 4.003 -6.727 -4.756 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.364 -7.313 -5.077 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.213 -6.010 -3.915 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.014 -7.262 -2.184 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.232 -8.731 -2.733 1.00 0.00 H new ATOM 828 N ASP A 52 3.741 -9.524 -3.240 1.00 0.00 N ATOM 829 CA ASP A 52 3.427 -10.946 -3.397 1.00 0.00 C ATOM 830 C ASP A 52 2.603 -11.195 -4.662 1.00 0.00 C ATOM 831 O ASP A 52 2.855 -12.148 -5.397 1.00 0.00 O ATOM 832 CB ASP A 52 2.667 -11.467 -2.174 1.00 0.00 C ATOM 833 CG ASP A 52 3.595 -11.999 -1.100 1.00 0.00 C ATOM 834 OD1 ASP A 52 4.627 -12.606 -1.455 1.00 0.00 O ATOM 835 OD2 ASP A 52 3.291 -11.807 0.095 1.00 0.00 O ATOM 0 H ASP A 52 3.572 -9.154 -2.305 1.00 0.00 H new ATOM 0 HA ASP A 52 4.371 -11.484 -3.488 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.058 -10.664 -1.759 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.984 -12.258 -2.484 1.00 0.00 H new ATOM 840 N GLY A 53 1.618 -10.332 -4.910 1.00 0.00 N ATOM 841 CA GLY A 53 0.780 -10.482 -6.086 1.00 0.00 C ATOM 842 C GLY A 53 -0.479 -11.287 -5.812 1.00 0.00 C ATOM 843 O GLY A 53 -0.916 -12.066 -6.660 1.00 0.00 O ATOM 0 H GLY A 53 1.387 -9.534 -4.318 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.502 -9.495 -6.457 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.353 -10.969 -6.875 1.00 0.00 H new ATOM 847 N ARG A 54 -1.067 -11.101 -4.631 1.00 0.00 N ATOM 848 CA ARG A 54 -2.283 -11.818 -4.265 1.00 0.00 C ATOM 849 C ARG A 54 -3.490 -10.883 -4.290 1.00 0.00 C ATOM 850 O ARG A 54 -3.346 -9.679 -4.499 1.00 0.00 O ATOM 851 CB ARG A 54 -2.132 -12.445 -2.877 1.00 0.00 C ATOM 852 CG ARG A 54 -2.516 -13.916 -2.830 1.00 0.00 C ATOM 853 CD ARG A 54 -1.730 -14.729 -3.846 1.00 0.00 C ATOM 854 NE ARG A 54 -2.500 -14.974 -5.064 1.00 0.00 N ATOM 855 CZ ARG A 54 -3.603 -15.720 -5.108 1.00 0.00 C ATOM 856 NH1 ARG A 54 -4.070 -16.290 -4.003 1.00 0.00 N ATOM 857 NH2 ARG A 54 -4.243 -15.893 -6.257 1.00 0.00 N ATOM 0 H ARG A 54 -0.721 -10.462 -3.915 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.445 -12.611 -4.995 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.098 -12.337 -2.549 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.750 -11.894 -2.169 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.335 -14.309 -1.829 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.583 -14.021 -3.025 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.810 -14.202 -4.098 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.440 -15.682 -3.402 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.174 -14.549 -5.932 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.584 -16.157 -3.116 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.915 -16.860 -4.041 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.891 -15.455 -7.108 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.087 -16.464 -6.289 1.00 0.00 H new ATOM 871 N THR A 55 -4.681 -11.441 -4.075 1.00 0.00 N ATOM 872 CA THR A 55 -5.903 -10.647 -4.074 1.00 0.00 C ATOM 873 C THR A 55 -6.334 -10.317 -2.648 1.00 0.00 C ATOM 874 O THR A 55 -6.326 -11.182 -1.774 1.00 0.00 O ATOM 875 CB THR A 55 -7.025 -11.394 -4.799 1.00 0.00 C ATOM 876 OG1 THR A 55 -6.626 -11.760 -6.112 1.00 0.00 O ATOM 877 CG2 THR A 55 -8.305 -10.593 -4.911 1.00 0.00 C ATOM 0 H THR A 55 -4.823 -12.436 -3.900 1.00 0.00 H new ATOM 0 HA THR A 55 -5.701 -9.714 -4.600 1.00 0.00 H new ATOM 0 HB THR A 55 -7.221 -12.276 -4.189 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.358 -12.237 -6.555 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.058 -11.182 -5.435 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.668 -10.346 -3.913 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.112 -9.674 -5.465 1.00 0.00 H new ATOM 885 N LEU A 56 -6.714 -9.060 -2.416 1.00 0.00 N ATOM 886 CA LEU A 56 -7.150 -8.630 -1.089 1.00 0.00 C ATOM 887 C LEU A 56 -8.245 -9.551 -0.546 1.00 0.00 C ATOM 888 O LEU A 56 -8.277 -9.854 0.647 1.00 0.00 O ATOM 889 CB LEU A 56 -7.660 -7.185 -1.133 1.00 0.00 C ATOM 890 CG LEU A 56 -6.573 -6.110 -1.041 1.00 0.00 C ATOM 891 CD1 LEU A 56 -7.197 -4.725 -0.998 1.00 0.00 C ATOM 892 CD2 LEU A 56 -5.698 -6.341 0.182 1.00 0.00 C ATOM 0 H LEU A 56 -6.729 -8.327 -3.125 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.290 -8.683 -0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.215 -7.040 -2.060 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.364 -7.039 -0.314 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.945 -6.176 -1.930 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.410 -3.973 -0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.781 -4.561 -1.903 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.848 -4.646 -0.127 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.931 -5.568 0.232 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.312 -6.301 1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.223 -7.319 0.110 1.00 0.00 H new ATOM 904 N SER A 57 -9.143 -9.993 -1.427 1.00 0.00 N ATOM 905 CA SER A 57 -10.236 -10.878 -1.026 1.00 0.00 C ATOM 906 C SER A 57 -9.713 -12.201 -0.461 1.00 0.00 C ATOM 907 O SER A 57 -10.347 -12.800 0.407 1.00 0.00 O ATOM 908 CB SER A 57 -11.166 -11.151 -2.212 1.00 0.00 C ATOM 909 OG SER A 57 -11.984 -12.283 -1.970 1.00 0.00 O ATOM 0 H SER A 57 -9.135 -9.754 -2.419 1.00 0.00 H new ATOM 0 HA SER A 57 -10.794 -10.371 -0.239 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.793 -10.278 -2.395 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.574 -11.312 -3.113 1.00 0.00 H new ATOM 0 HG SER A 57 -12.569 -12.435 -2.741 1.00 0.00 H new ATOM 915 N ASP A 58 -8.561 -12.663 -0.956 1.00 0.00 N ATOM 916 CA ASP A 58 -7.985 -13.924 -0.486 1.00 0.00 C ATOM 917 C ASP A 58 -7.836 -13.937 1.037 1.00 0.00 C ATOM 918 O ASP A 58 -8.048 -14.968 1.676 1.00 0.00 O ATOM 919 CB ASP A 58 -6.625 -14.179 -1.141 1.00 0.00 C ATOM 920 CG ASP A 58 -6.754 -14.656 -2.574 1.00 0.00 C ATOM 921 OD1 ASP A 58 -7.599 -15.540 -2.831 1.00 0.00 O ATOM 922 OD2 ASP A 58 -6.014 -14.144 -3.439 1.00 0.00 O ATOM 0 H ASP A 58 -8.015 -12.188 -1.674 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.672 -14.720 -0.772 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.036 -13.262 -1.118 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.079 -14.923 -0.561 1.00 0.00 H new ATOM 927 N TYR A 59 -7.469 -12.795 1.618 1.00 0.00 N ATOM 928 CA TYR A 59 -7.297 -12.702 3.065 1.00 0.00 C ATOM 929 C TYR A 59 -8.478 -11.984 3.724 1.00 0.00 C ATOM 930 O TYR A 59 -8.304 -11.274 4.714 1.00 0.00 O ATOM 931 CB TYR A 59 -5.993 -11.976 3.399 1.00 0.00 C ATOM 932 CG TYR A 59 -4.766 -12.850 3.270 1.00 0.00 C ATOM 933 CD1 TYR A 59 -4.495 -13.530 2.090 1.00 0.00 C ATOM 934 CD2 TYR A 59 -3.877 -12.993 4.328 1.00 0.00 C ATOM 935 CE1 TYR A 59 -3.374 -14.330 1.968 1.00 0.00 C ATOM 936 CE2 TYR A 59 -2.754 -13.790 4.214 1.00 0.00 C ATOM 937 CZ TYR A 59 -2.507 -14.456 3.032 1.00 0.00 C ATOM 938 OH TYR A 59 -1.391 -15.251 2.915 1.00 0.00 O ATOM 0 H TYR A 59 -7.287 -11.928 1.112 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.255 -13.717 3.460 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.887 -11.115 2.740 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.051 -11.592 4.418 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -5.171 -13.432 1.254 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.067 -12.473 5.255 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -3.179 -14.853 1.044 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.073 -13.891 5.046 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.885 -15.230 3.754 1.00 0.00 H new ATOM 948 N ASN A 60 -9.680 -12.177 3.176 1.00 0.00 N ATOM 949 CA ASN A 60 -10.881 -11.552 3.722 1.00 0.00 C ATOM 950 C ASN A 60 -10.733 -10.032 3.831 1.00 0.00 C ATOM 951 O ASN A 60 -11.361 -9.407 4.686 1.00 0.00 O ATOM 952 CB ASN A 60 -11.205 -12.142 5.096 1.00 0.00 C ATOM 953 CG ASN A 60 -12.699 -12.233 5.348 1.00 0.00 C ATOM 954 OD1 ASN A 60 -13.498 -11.640 4.623 1.00 0.00 O ATOM 955 ND2 ASN A 60 -13.088 -12.977 6.383 1.00 0.00 N ATOM 0 H ASN A 60 -9.845 -12.761 2.356 1.00 0.00 H new ATOM 0 HA ASN A 60 -11.700 -11.759 3.033 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.765 -13.136 5.175 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -10.745 -11.527 5.870 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -14.080 -13.071 6.599 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -12.393 -13.452 6.959 1.00 0.00 H new ATOM 962 N ILE A 61 -9.910 -9.435 2.968 1.00 0.00 N ATOM 963 CA ILE A 61 -9.709 -7.990 2.991 1.00 0.00 C ATOM 964 C ILE A 61 -10.723 -7.285 2.093 1.00 0.00 C ATOM 965 O ILE A 61 -10.381 -6.807 1.011 1.00 0.00 O ATOM 966 CB ILE A 61 -8.283 -7.608 2.548 1.00 0.00 C ATOM 967 CG1 ILE A 61 -7.249 -8.448 3.300 1.00 0.00 C ATOM 968 CG2 ILE A 61 -8.038 -6.125 2.780 1.00 0.00 C ATOM 969 CD1 ILE A 61 -5.863 -8.382 2.696 1.00 0.00 C ATOM 0 H ILE A 61 -9.377 -9.927 2.251 1.00 0.00 H new ATOM 0 HA ILE A 61 -9.852 -7.665 4.022 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.182 -7.812 1.482 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.202 -8.110 4.335 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.580 -9.486 3.318 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.027 -5.869 2.463 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.757 -5.543 2.204 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -8.154 -5.899 3.840 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.182 -9.001 3.280 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.896 -8.747 1.670 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.512 -7.350 2.703 1.00 0.00 H new ATOM 981 N GLN A 62 -11.976 -7.224 2.545 1.00 0.00 N ATOM 982 CA GLN A 62 -13.034 -6.580 1.774 1.00 0.00 C ATOM 983 C GLN A 62 -13.221 -5.126 2.206 1.00 0.00 C ATOM 984 O GLN A 62 -12.551 -4.651 3.123 1.00 0.00 O ATOM 985 CB GLN A 62 -14.350 -7.345 1.932 1.00 0.00 C ATOM 986 CG GLN A 62 -14.583 -8.385 0.848 1.00 0.00 C ATOM 987 CD GLN A 62 -15.391 -7.841 -0.318 1.00 0.00 C ATOM 988 OE1 GLN A 62 -16.394 -7.154 -0.123 1.00 0.00 O ATOM 989 NE2 GLN A 62 -14.960 -8.145 -1.540 1.00 0.00 N ATOM 0 H GLN A 62 -12.280 -7.612 3.438 1.00 0.00 H new ATOM 0 HA GLN A 62 -12.739 -6.592 0.725 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -14.360 -7.837 2.904 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -15.177 -6.635 1.926 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -13.621 -8.745 0.482 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -15.102 -9.242 1.277 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -14.124 -8.717 -1.658 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -15.466 -7.806 -2.358 1.00 0.00 H new ATOM 998 N LYS A 63 -14.134 -4.421 1.537 1.00 0.00 N ATOM 999 CA LYS A 63 -14.404 -3.016 1.851 1.00 0.00 C ATOM 1000 C LYS A 63 -14.642 -2.818 3.348 1.00 0.00 C ATOM 1001 O LYS A 63 -15.179 -3.695 4.023 1.00 0.00 O ATOM 1002 CB LYS A 63 -15.615 -2.504 1.060 1.00 0.00 C ATOM 1003 CG LYS A 63 -15.291 -1.340 0.138 1.00 0.00 C ATOM 1004 CD LYS A 63 -16.477 -0.400 -0.012 1.00 0.00 C ATOM 1005 CE LYS A 63 -16.434 0.344 -1.336 1.00 0.00 C ATOM 1006 NZ LYS A 63 -17.151 -0.395 -2.412 1.00 0.00 N ATOM 0 H LYS A 63 -14.698 -4.798 0.776 1.00 0.00 H new ATOM 0 HA LYS A 63 -13.524 -2.442 1.562 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -16.024 -3.323 0.468 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -16.392 -2.197 1.760 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.437 -0.789 0.532 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -15.001 -1.720 -0.841 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -17.404 -0.969 0.057 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.481 0.317 0.809 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -16.881 1.330 -1.213 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -15.396 0.499 -1.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -17.098 0.146 -3.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -16.709 -1.326 -2.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -18.147 -0.521 -2.142 1.00 0.00 H new ATOM 1020 N GLU A 64 -14.238 -1.654 3.861 1.00 0.00 N ATOM 1021 CA GLU A 64 -14.406 -1.336 5.277 1.00 0.00 C ATOM 1022 C GLU A 64 -13.599 -2.281 6.171 1.00 0.00 C ATOM 1023 O GLU A 64 -13.895 -2.417 7.359 1.00 0.00 O ATOM 1024 CB GLU A 64 -15.887 -1.400 5.660 1.00 0.00 C ATOM 1025 CG GLU A 64 -16.319 -0.287 6.601 1.00 0.00 C ATOM 1026 CD GLU A 64 -17.225 -0.780 7.712 1.00 0.00 C ATOM 1027 OE1 GLU A 64 -17.971 -1.754 7.482 1.00 0.00 O ATOM 1028 OE2 GLU A 64 -17.189 -0.191 8.813 1.00 0.00 O ATOM 0 H GLU A 64 -13.792 -0.917 3.315 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.031 -0.325 5.433 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -16.491 -1.353 4.754 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -16.091 -2.362 6.130 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -15.435 0.178 7.038 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -16.836 0.485 6.031 1.00 0.00 H new ATOM 1035 N SER A 65 -12.578 -2.930 5.608 1.00 0.00 N ATOM 1036 CA SER A 65 -11.746 -3.849 6.380 1.00 0.00 C ATOM 1037 C SER A 65 -10.781 -3.084 7.284 1.00 0.00 C ATOM 1038 O SER A 65 -10.727 -1.855 7.246 1.00 0.00 O ATOM 1039 CB SER A 65 -10.963 -4.778 5.448 1.00 0.00 C ATOM 1040 OG SER A 65 -11.695 -5.960 5.171 1.00 0.00 O ATOM 0 H SER A 65 -12.310 -2.836 4.628 1.00 0.00 H new ATOM 0 HA SER A 65 -12.405 -4.450 7.007 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.739 -4.259 4.516 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.008 -5.037 5.906 1.00 0.00 H new ATOM 0 HG SER A 65 -12.380 -5.770 4.497 1.00 0.00 H new ATOM 1046 N THR A 66 -10.015 -3.818 8.088 1.00 0.00 N ATOM 1047 CA THR A 66 -9.048 -3.203 8.990 1.00 0.00 C ATOM 1048 C THR A 66 -7.637 -3.308 8.413 1.00 0.00 C ATOM 1049 O THR A 66 -6.879 -4.212 8.762 1.00 0.00 O ATOM 1050 CB THR A 66 -9.114 -3.867 10.370 1.00 0.00 C ATOM 1051 OG1 THR A 66 -8.248 -3.218 11.292 1.00 0.00 O ATOM 1052 CG2 THR A 66 -8.754 -5.340 10.348 1.00 0.00 C ATOM 0 H THR A 66 -10.046 -4.837 8.132 1.00 0.00 H new ATOM 0 HA THR A 66 -9.296 -2.147 9.100 1.00 0.00 H new ATOM 0 HB THR A 66 -10.154 -3.772 10.681 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.310 -3.659 12.165 1.00 0.00 H new ATOM 0 HG21 THR A 66 -8.821 -5.746 11.357 1.00 0.00 H new ATOM 0 HG22 THR A 66 -9.445 -5.874 9.695 1.00 0.00 H new ATOM 0 HG23 THR A 66 -7.737 -5.460 9.976 1.00 0.00 H new ATOM 1060 N LEU A 67 -7.290 -2.380 7.522 1.00 0.00 N ATOM 1061 CA LEU A 67 -5.972 -2.380 6.895 1.00 0.00 C ATOM 1062 C LEU A 67 -5.036 -1.387 7.581 1.00 0.00 C ATOM 1063 O LEU A 67 -5.195 -0.174 7.444 1.00 0.00 O ATOM 1064 CB LEU A 67 -6.093 -2.041 5.407 1.00 0.00 C ATOM 1065 CG LEU A 67 -5.211 -2.880 4.479 1.00 0.00 C ATOM 1066 CD1 LEU A 67 -5.940 -3.181 3.179 1.00 0.00 C ATOM 1067 CD2 LEU A 67 -3.898 -2.164 4.201 1.00 0.00 C ATOM 0 H LEU A 67 -7.902 -1.622 7.220 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.549 -3.379 7.002 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.133 -2.165 5.105 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.843 -0.989 5.268 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.989 -3.825 4.976 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.298 -3.778 2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.854 -3.735 3.394 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.191 -2.246 2.678 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.283 -2.775 3.540 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.100 -1.205 3.725 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.368 -1.999 5.139 1.00 0.00 H new ATOM 1079 N HIS A 68 -4.055 -1.908 8.318 1.00 0.00 N ATOM 1080 CA HIS A 68 -3.096 -1.063 9.018 1.00 0.00 C ATOM 1081 C HIS A 68 -1.732 -1.110 8.329 1.00 0.00 C ATOM 1082 O HIS A 68 -1.163 -2.183 8.140 1.00 0.00 O ATOM 1083 CB HIS A 68 -2.962 -1.505 10.476 1.00 0.00 C ATOM 1084 CG HIS A 68 -3.822 -0.721 11.419 1.00 0.00 C ATOM 1085 ND1 HIS A 68 -3.430 -0.393 12.700 1.00 0.00 N ATOM 1086 CD2 HIS A 68 -5.060 -0.196 11.260 1.00 0.00 C ATOM 1087 CE1 HIS A 68 -4.389 0.297 13.288 1.00 0.00 C ATOM 1088 NE2 HIS A 68 -5.389 0.431 12.436 1.00 0.00 N ATOM 0 H HIS A 68 -3.906 -2.909 8.444 1.00 0.00 H new ATOM 0 HA HIS A 68 -3.463 -0.037 8.993 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -3.221 -2.561 10.553 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.920 -1.410 10.782 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -5.674 -0.259 10.374 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -4.361 0.686 14.295 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -6.264 0.921 12.622 1.00 0.00 H new ATOM 1097 N LEU A 69 -1.214 0.058 7.955 1.00 0.00 N ATOM 1098 CA LEU A 69 0.082 0.136 7.288 1.00 0.00 C ATOM 1099 C LEU A 69 1.200 0.381 8.298 1.00 0.00 C ATOM 1100 O LEU A 69 0.987 1.019 9.329 1.00 0.00 O ATOM 1101 CB LEU A 69 0.074 1.247 6.233 1.00 0.00 C ATOM 1102 CG LEU A 69 -0.125 0.770 4.794 1.00 0.00 C ATOM 1103 CD1 LEU A 69 -1.514 0.180 4.614 1.00 0.00 C ATOM 1104 CD2 LEU A 69 0.100 1.915 3.817 1.00 0.00 C ATOM 0 H LEU A 69 -1.670 0.959 8.102 1.00 0.00 H new ATOM 0 HA LEU A 69 0.266 -0.818 6.795 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.718 1.955 6.478 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.017 1.791 6.293 1.00 0.00 H new ATOM 0 HG LEU A 69 0.608 -0.009 4.586 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.637 -0.154 3.584 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.639 -0.668 5.288 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.264 0.938 4.842 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.046 1.557 2.798 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.609 2.716 4.026 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.116 2.293 3.927 1.00 0.00 H new ATOM 1116 N VAL A 70 2.394 -0.129 7.999 1.00 0.00 N ATOM 1117 CA VAL A 70 3.539 0.040 8.885 1.00 0.00 C ATOM 1118 C VAL A 70 4.502 1.092 8.341 1.00 0.00 C ATOM 1119 O VAL A 70 4.690 1.203 7.130 1.00 0.00 O ATOM 1120 CB VAL A 70 4.298 -1.286 9.078 1.00 0.00 C ATOM 1121 CG1 VAL A 70 5.365 -1.139 10.153 1.00 0.00 C ATOM 1122 CG2 VAL A 70 3.333 -2.409 9.426 1.00 0.00 C ATOM 0 H VAL A 70 2.591 -0.661 7.151 1.00 0.00 H new ATOM 0 HA VAL A 70 3.151 0.370 9.848 1.00 0.00 H new ATOM 0 HB VAL A 70 4.792 -1.540 8.140 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.891 -2.086 10.276 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.074 -0.365 9.858 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.895 -0.860 11.096 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.888 -3.338 9.558 1.00 0.00 H new ATOM 0 HG22 VAL A 70 2.808 -2.165 10.350 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.610 -2.530 8.619 1.00 0.00 H new ATOM 1132 N LEU A 71 5.111 1.863 9.240 1.00 0.00 N ATOM 1133 CA LEU A 71 6.052 2.903 8.835 1.00 0.00 C ATOM 1134 C LEU A 71 7.414 2.303 8.495 1.00 0.00 C ATOM 1135 O LEU A 71 8.310 2.261 9.337 1.00 0.00 O ATOM 1136 CB LEU A 71 6.205 3.951 9.941 1.00 0.00 C ATOM 1137 CG LEU A 71 5.165 5.073 9.917 1.00 0.00 C ATOM 1138 CD1 LEU A 71 4.757 5.455 11.331 1.00 0.00 C ATOM 1139 CD2 LEU A 71 5.705 6.283 9.171 1.00 0.00 C ATOM 0 H LEU A 71 4.970 1.787 10.247 1.00 0.00 H new ATOM 0 HA LEU A 71 5.653 3.386 7.943 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.153 3.448 10.907 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.198 4.395 9.866 1.00 0.00 H new ATOM 0 HG LEU A 71 4.281 4.711 9.392 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.017 6.254 11.293 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.329 4.587 11.833 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.633 5.797 11.882 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.952 7.071 9.164 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.605 6.645 9.668 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.945 6.001 8.146 1.00 0.00 H new