USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 374 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 32 TYR OH : rot 30:sc= -0.0395 USER MOD Set 1.2: A 40 MET CE :methyl -121:sc= -0.32 (180deg=-3.63!) USER MOD Set 2.1: A 36 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Set 2.2: A 38 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 MET CE :methyl -108:sc= -0.515 (180deg=-1.82) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.3 USER MOD Single : A 10 LYS NZ :NH3+ -156:sc= -1.62! (180deg=-2.62!) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 160:sc= 0.00942 USER MOD Single : A 20 LYS NZ :NH3+ 155:sc= 0.925 (180deg=0.0275!) USER MOD Single : A 27 THR OG1 : rot -76:sc= 1.18 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HE2:sc= -0.926! C(o=-0.93!,f=-8.3!) USER MOD Single : A 35 GLN : amide:sc= -0.156 X(o=-0.16,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.073 K(o=-0.073,f=-3.2) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 4 1.398 0.730 15.807 1.00 0.00 N ATOM 2 CA ASP A 4 1.904 -0.548 15.331 1.00 0.00 C ATOM 3 C ASP A 4 2.708 -0.351 14.058 1.00 0.00 C ATOM 4 O ASP A 4 3.938 -0.332 14.084 1.00 0.00 O ATOM 5 CB ASP A 4 0.752 -1.524 15.072 1.00 0.00 C ATOM 6 CG ASP A 4 -0.119 -1.750 16.292 1.00 0.00 C ATOM 7 OD1 ASP A 4 0.328 -2.440 17.228 1.00 0.00 O ATOM 8 OD2 ASP A 4 -1.263 -1.238 16.319 1.00 0.00 O ATOM 0 HA ASP A 4 2.550 -0.969 16.102 1.00 0.00 H new ATOM 0 HB2 ASP A 4 0.136 -1.142 14.258 1.00 0.00 H new ATOM 0 HB3 ASP A 4 1.160 -2.479 14.742 1.00 0.00 H new ATOM 13 N TYR A 5 1.999 -0.195 12.946 1.00 0.00 N ATOM 14 CA TYR A 5 2.624 0.037 11.654 1.00 0.00 C ATOM 15 C TYR A 5 1.862 1.128 10.915 1.00 0.00 C ATOM 16 O TYR A 5 0.835 1.606 11.400 1.00 0.00 O ATOM 17 CB TYR A 5 2.638 -1.249 10.820 1.00 0.00 C ATOM 18 CG TYR A 5 3.413 -2.386 11.454 1.00 0.00 C ATOM 19 CD1 TYR A 5 4.785 -2.506 11.270 1.00 0.00 C ATOM 20 CD2 TYR A 5 2.770 -3.339 12.237 1.00 0.00 C ATOM 21 CE1 TYR A 5 5.495 -3.542 11.850 1.00 0.00 C ATOM 22 CE2 TYR A 5 3.473 -4.376 12.820 1.00 0.00 C ATOM 23 CZ TYR A 5 4.834 -4.473 12.623 1.00 0.00 C ATOM 24 OH TYR A 5 5.538 -5.504 13.204 1.00 0.00 O ATOM 0 H TYR A 5 0.980 -0.226 12.917 1.00 0.00 H new ATOM 0 HA TYR A 5 3.655 0.352 11.812 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.611 -1.572 10.652 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.067 -1.031 9.842 1.00 0.00 H new ATOM 0 HD1 TYR A 5 5.305 -1.779 10.664 1.00 0.00 H new ATOM 0 HD2 TYR A 5 1.704 -3.267 12.392 1.00 0.00 H new ATOM 0 HE1 TYR A 5 6.561 -3.621 11.698 1.00 0.00 H new ATOM 0 HE2 TYR A 5 2.959 -5.107 13.427 1.00 0.00 H new ATOM 0 HH TYR A 5 4.925 -6.071 13.717 1.00 0.00 H new ATOM 34 N VAL A 6 2.353 1.515 9.749 1.00 0.00 N ATOM 35 CA VAL A 6 1.729 2.575 8.974 1.00 0.00 C ATOM 36 C VAL A 6 2.387 2.695 7.603 1.00 0.00 C ATOM 37 O VAL A 6 3.602 2.571 7.472 1.00 0.00 O ATOM 38 CB VAL A 6 1.806 3.939 9.710 1.00 0.00 C ATOM 39 CG1 VAL A 6 3.251 4.366 9.932 1.00 0.00 C ATOM 40 CG2 VAL A 6 1.037 5.014 8.953 1.00 0.00 C ATOM 0 H VAL A 6 3.184 1.110 9.318 1.00 0.00 H new ATOM 0 HA VAL A 6 0.679 2.311 8.849 1.00 0.00 H new ATOM 0 HB VAL A 6 1.339 3.812 10.687 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.272 5.325 10.450 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.763 3.617 10.536 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.754 4.462 8.970 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.108 5.959 9.491 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.462 5.131 7.956 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.010 4.722 8.869 1.00 0.00 H new ATOM 50 N MET A 7 1.575 2.906 6.585 1.00 0.00 N ATOM 51 CA MET A 7 2.085 3.147 5.253 1.00 0.00 C ATOM 52 C MET A 7 1.597 4.494 4.758 1.00 0.00 C ATOM 53 O MET A 7 0.422 4.664 4.426 1.00 0.00 O ATOM 54 CB MET A 7 1.655 2.039 4.288 1.00 0.00 C ATOM 55 CG MET A 7 2.178 2.231 2.871 1.00 0.00 C ATOM 56 SD MET A 7 1.567 0.981 1.719 1.00 0.00 S ATOM 57 CE MET A 7 -0.187 1.349 1.734 1.00 0.00 C ATOM 0 H MET A 7 0.558 2.915 6.657 1.00 0.00 H new ATOM 0 HA MET A 7 3.174 3.149 5.294 1.00 0.00 H new ATOM 0 HB2 MET A 7 2.005 1.080 4.669 1.00 0.00 H new ATOM 0 HB3 MET A 7 0.566 1.993 4.262 1.00 0.00 H new ATOM 0 HG2 MET A 7 1.889 3.219 2.513 1.00 0.00 H new ATOM 0 HG3 MET A 7 3.268 2.203 2.885 1.00 0.00 H new ATOM 0 HE1 MET A 7 -0.719 0.565 2.273 1.00 0.00 H new ATOM 0 HE2 MET A 7 -0.354 2.306 2.228 1.00 0.00 H new ATOM 0 HE3 MET A 7 -0.557 1.400 0.710 1.00 0.00 H new ATOM 67 N ALA A 8 2.491 5.465 4.749 1.00 0.00 N ATOM 68 CA ALA A 8 2.169 6.784 4.249 1.00 0.00 C ATOM 69 C ALA A 8 2.562 6.878 2.786 1.00 0.00 C ATOM 70 O ALA A 8 3.732 6.699 2.431 1.00 0.00 O ATOM 71 CB ALA A 8 2.861 7.861 5.069 1.00 0.00 C ATOM 0 H ALA A 8 3.449 5.362 5.084 1.00 0.00 H new ATOM 0 HA ALA A 8 1.095 6.946 4.340 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.602 8.843 4.672 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.537 7.792 6.107 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.941 7.721 5.016 1.00 0.00 H new ATOM 77 N THR A 9 1.587 7.138 1.941 1.00 0.00 N ATOM 78 CA THR A 9 1.814 7.152 0.510 1.00 0.00 C ATOM 79 C THR A 9 2.306 8.514 0.040 1.00 0.00 C ATOM 80 O THR A 9 2.336 9.476 0.813 1.00 0.00 O ATOM 81 CB THR A 9 0.534 6.778 -0.255 1.00 0.00 C ATOM 82 OG1 THR A 9 -0.547 7.635 0.136 1.00 0.00 O ATOM 83 CG2 THR A 9 0.157 5.326 0.000 1.00 0.00 C ATOM 0 H THR A 9 0.628 7.343 2.220 1.00 0.00 H new ATOM 0 HA THR A 9 2.584 6.410 0.300 1.00 0.00 H new ATOM 0 HB THR A 9 0.726 6.907 -1.320 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.356 7.388 -0.359 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.752 5.084 -0.551 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.967 4.676 -0.332 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.015 5.176 1.066 1.00 0.00 H new ATOM 91 N LYS A 10 2.692 8.587 -1.230 1.00 0.00 N ATOM 92 CA LYS A 10 3.163 9.829 -1.829 1.00 0.00 C ATOM 93 C LYS A 10 2.044 10.864 -1.821 1.00 0.00 C ATOM 94 O LYS A 10 2.294 12.065 -1.810 1.00 0.00 O ATOM 95 CB LYS A 10 3.638 9.578 -3.260 1.00 0.00 C ATOM 96 CG LYS A 10 4.369 10.752 -3.886 1.00 0.00 C ATOM 97 CD LYS A 10 4.982 10.403 -5.238 1.00 0.00 C ATOM 98 CE LYS A 10 3.934 10.023 -6.287 1.00 0.00 C ATOM 99 NZ LYS A 10 3.355 8.664 -6.090 1.00 0.00 N ATOM 0 H LYS A 10 2.687 7.792 -1.869 1.00 0.00 H new ATOM 0 HA LYS A 10 4.002 10.208 -1.245 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.296 8.709 -3.266 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.776 9.329 -3.879 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.676 11.584 -4.009 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.155 11.089 -3.210 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.559 11.254 -5.600 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.680 9.575 -5.112 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.129 10.758 -6.266 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.388 10.075 -7.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.990 8.308 -6.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.092 8.021 -5.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.579 8.714 -5.400 1.00 0.00 H new ATOM 113 N ASP A 11 0.807 10.369 -1.817 1.00 0.00 N ATOM 114 CA ASP A 11 -0.379 11.214 -1.707 1.00 0.00 C ATOM 115 C ASP A 11 -0.300 12.103 -0.468 1.00 0.00 C ATOM 116 O ASP A 11 -0.795 13.233 -0.462 1.00 0.00 O ATOM 117 CB ASP A 11 -1.631 10.336 -1.645 1.00 0.00 C ATOM 118 CG ASP A 11 -2.909 11.136 -1.493 1.00 0.00 C ATOM 119 OD1 ASP A 11 -3.389 11.689 -2.501 1.00 0.00 O ATOM 120 OD2 ASP A 11 -3.451 11.205 -0.370 1.00 0.00 O ATOM 0 H ASP A 11 0.600 9.373 -1.890 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.431 11.858 -2.585 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.691 9.734 -2.552 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.541 9.643 -0.808 1.00 0.00 H new ATOM 125 N GLY A 12 0.348 11.592 0.572 1.00 0.00 N ATOM 126 CA GLY A 12 0.504 12.349 1.792 1.00 0.00 C ATOM 127 C GLY A 12 -0.469 11.914 2.862 1.00 0.00 C ATOM 128 O GLY A 12 -0.694 12.633 3.836 1.00 0.00 O ATOM 0 H GLY A 12 0.768 10.663 0.588 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.523 12.234 2.161 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.360 13.409 1.581 1.00 0.00 H new ATOM 132 N ARG A 13 -1.054 10.741 2.683 1.00 0.00 N ATOM 133 CA ARG A 13 -2.003 10.217 3.648 1.00 0.00 C ATOM 134 C ARG A 13 -1.375 9.093 4.462 1.00 0.00 C ATOM 135 O ARG A 13 -0.575 8.310 3.944 1.00 0.00 O ATOM 136 CB ARG A 13 -3.266 9.717 2.948 1.00 0.00 C ATOM 137 CG ARG A 13 -3.013 8.607 1.942 1.00 0.00 C ATOM 138 CD ARG A 13 -4.305 8.122 1.312 1.00 0.00 C ATOM 139 NE ARG A 13 -5.265 7.644 2.307 1.00 0.00 N ATOM 140 CZ ARG A 13 -6.534 7.348 2.034 1.00 0.00 C ATOM 141 NH1 ARG A 13 -7.010 7.525 0.804 1.00 0.00 N ATOM 142 NH2 ARG A 13 -7.329 6.904 2.999 1.00 0.00 N ATOM 0 H ARG A 13 -0.888 10.135 1.879 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.278 11.026 4.324 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.969 9.359 3.700 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.743 10.554 2.438 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.340 8.967 1.164 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.513 7.774 2.436 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.754 8.933 0.739 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.084 7.319 0.609 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.943 7.531 3.268 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -6.402 7.888 0.069 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.982 7.298 0.596 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.967 6.791 3.946 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.302 6.676 2.794 1.00 0.00 H new ATOM 156 N MET A 14 -1.735 9.022 5.733 1.00 0.00 N ATOM 157 CA MET A 14 -1.212 7.995 6.620 1.00 0.00 C ATOM 158 C MET A 14 -2.205 6.848 6.733 1.00 0.00 C ATOM 159 O MET A 14 -3.234 6.968 7.396 1.00 0.00 O ATOM 160 CB MET A 14 -0.913 8.562 8.014 1.00 0.00 C ATOM 161 CG MET A 14 0.275 9.516 8.064 1.00 0.00 C ATOM 162 SD MET A 14 -0.027 11.080 7.217 1.00 0.00 S ATOM 163 CE MET A 14 1.556 11.893 7.444 1.00 0.00 C ATOM 0 H MET A 14 -2.390 9.666 6.176 1.00 0.00 H new ATOM 0 HA MET A 14 -0.278 7.628 6.194 1.00 0.00 H new ATOM 0 HB2 MET A 14 -1.798 9.084 8.378 1.00 0.00 H new ATOM 0 HB3 MET A 14 -0.727 7.734 8.698 1.00 0.00 H new ATOM 0 HG2 MET A 14 0.526 9.718 9.105 1.00 0.00 H new ATOM 0 HG3 MET A 14 1.141 9.030 7.616 1.00 0.00 H new ATOM 0 HE1 MET A 14 1.531 12.876 6.975 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.758 12.005 8.509 1.00 0.00 H new ATOM 0 HE3 MET A 14 2.342 11.293 6.986 1.00 0.00 H new ATOM 173 N ILE A 15 -1.909 5.751 6.061 1.00 0.00 N ATOM 174 CA ILE A 15 -2.765 4.578 6.115 1.00 0.00 C ATOM 175 C ILE A 15 -2.247 3.609 7.169 1.00 0.00 C ATOM 176 O ILE A 15 -1.138 3.087 7.049 1.00 0.00 O ATOM 177 CB ILE A 15 -2.836 3.859 4.749 1.00 0.00 C ATOM 178 CG1 ILE A 15 -3.237 4.842 3.646 1.00 0.00 C ATOM 179 CG2 ILE A 15 -3.827 2.702 4.815 1.00 0.00 C ATOM 180 CD1 ILE A 15 -3.254 4.229 2.261 1.00 0.00 C ATOM 0 H ILE A 15 -1.083 5.647 5.471 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.769 4.913 6.375 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.849 3.462 4.513 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.226 5.241 3.869 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.545 5.684 3.653 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.869 2.203 3.847 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.506 1.991 5.576 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.816 3.084 5.069 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.547 4.985 1.532 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.260 3.855 2.016 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.968 3.405 2.236 1.00 0.00 H new ATOM 192 N LEU A 16 -3.033 3.394 8.216 1.00 0.00 N ATOM 193 CA LEU A 16 -2.668 2.438 9.252 1.00 0.00 C ATOM 194 C LEU A 16 -2.819 1.026 8.708 1.00 0.00 C ATOM 195 O LEU A 16 -3.916 0.469 8.680 1.00 0.00 O ATOM 196 CB LEU A 16 -3.524 2.614 10.515 1.00 0.00 C ATOM 197 CG LEU A 16 -3.319 3.919 11.301 1.00 0.00 C ATOM 198 CD1 LEU A 16 -1.836 4.185 11.529 1.00 0.00 C ATOM 199 CD2 LEU A 16 -3.983 5.097 10.599 1.00 0.00 C ATOM 0 H LEU A 16 -3.924 3.867 8.370 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.631 2.618 9.534 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.574 2.549 10.229 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.323 1.777 11.184 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.797 3.802 12.274 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.714 5.113 12.087 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.402 3.361 12.096 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.330 4.271 10.568 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.820 6.005 11.179 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.551 5.219 9.606 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.053 4.911 10.509 1.00 0.00 H new ATOM 211 N THR A 17 -1.715 0.468 8.249 1.00 0.00 N ATOM 212 CA THR A 17 -1.723 -0.820 7.585 1.00 0.00 C ATOM 213 C THR A 17 -1.230 -1.931 8.498 1.00 0.00 C ATOM 214 O THR A 17 -0.613 -1.674 9.537 1.00 0.00 O ATOM 215 CB THR A 17 -0.830 -0.777 6.332 1.00 0.00 C ATOM 216 OG1 THR A 17 0.434 -0.178 6.661 1.00 0.00 O ATOM 217 CG2 THR A 17 -1.496 0.011 5.216 1.00 0.00 C ATOM 0 H THR A 17 -0.791 0.893 8.326 1.00 0.00 H new ATOM 0 HA THR A 17 -2.756 -1.031 7.307 1.00 0.00 H new ATOM 0 HB THR A 17 -0.674 -1.798 5.985 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.101 -0.431 5.989 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.844 0.026 4.342 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.444 -0.459 4.954 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.678 1.032 5.550 1.00 0.00 H new ATOM 225 N ASP A 18 -1.525 -3.163 8.104 1.00 0.00 N ATOM 226 CA ASP A 18 -0.943 -4.340 8.732 1.00 0.00 C ATOM 227 C ASP A 18 0.561 -4.333 8.480 1.00 0.00 C ATOM 228 O ASP A 18 1.026 -3.695 7.530 1.00 0.00 O ATOM 229 CB ASP A 18 -1.566 -5.607 8.135 1.00 0.00 C ATOM 230 CG ASP A 18 -1.471 -6.810 9.048 1.00 0.00 C ATOM 231 OD1 ASP A 18 -0.348 -7.284 9.318 1.00 0.00 O ATOM 232 OD2 ASP A 18 -2.528 -7.287 9.505 1.00 0.00 O ATOM 0 H ASP A 18 -2.172 -3.373 7.344 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.139 -4.326 9.804 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.614 -5.415 7.907 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.071 -5.836 7.191 1.00 0.00 H new ATOM 237 N GLY A 19 1.320 -5.027 9.307 1.00 0.00 N ATOM 238 CA GLY A 19 2.772 -5.019 9.139 1.00 0.00 C ATOM 239 C GLY A 19 3.199 -6.030 8.107 1.00 0.00 C ATOM 240 O GLY A 19 3.787 -7.053 8.451 1.00 0.00 O ATOM 0 H GLY A 19 0.974 -5.591 10.083 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.102 -4.025 8.838 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.254 -5.240 10.092 1.00 0.00 H new ATOM 244 N LYS A 20 2.926 -5.735 6.838 1.00 0.00 N ATOM 245 CA LYS A 20 2.797 -6.794 5.853 1.00 0.00 C ATOM 246 C LYS A 20 2.252 -6.307 4.500 1.00 0.00 C ATOM 247 O LYS A 20 1.279 -6.864 3.992 1.00 0.00 O ATOM 248 CB LYS A 20 1.878 -7.912 6.370 1.00 0.00 C ATOM 249 CG LYS A 20 2.451 -9.314 6.188 1.00 0.00 C ATOM 250 CD LYS A 20 2.824 -9.599 4.743 1.00 0.00 C ATOM 251 CE LYS A 20 3.431 -10.983 4.588 1.00 0.00 C ATOM 252 NZ LYS A 20 3.993 -11.191 3.232 1.00 0.00 N ATOM 0 H LYS A 20 2.793 -4.790 6.477 1.00 0.00 H new ATOM 0 HA LYS A 20 3.809 -7.167 5.695 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.679 -7.746 7.429 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.921 -7.851 5.852 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.333 -9.429 6.818 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.721 -10.050 6.525 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.937 -9.517 4.114 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.533 -8.848 4.394 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.216 -11.120 5.331 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.670 -11.738 4.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.738 -11.916 3.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.239 -11.504 2.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.397 -10.299 2.883 1.00 0.00 H new ATOM 266 N PRO A 21 2.848 -5.265 3.892 1.00 0.00 N ATOM 267 CA PRO A 21 2.465 -4.839 2.551 1.00 0.00 C ATOM 268 C PRO A 21 2.986 -5.818 1.511 1.00 0.00 C ATOM 269 O PRO A 21 4.195 -5.921 1.296 1.00 0.00 O ATOM 270 CB PRO A 21 3.135 -3.469 2.377 1.00 0.00 C ATOM 271 CG PRO A 21 3.704 -3.125 3.711 1.00 0.00 C ATOM 272 CD PRO A 21 3.916 -4.423 4.432 1.00 0.00 C ATOM 0 HA PRO A 21 1.383 -4.794 2.424 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.915 -3.509 1.617 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.413 -2.719 2.054 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.644 -2.583 3.604 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.025 -2.479 4.267 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.902 -4.841 4.232 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.832 -4.305 5.512 1.00 0.00 H new ATOM 280 N GLU A 22 2.074 -6.548 0.894 1.00 0.00 N ATOM 281 CA GLU A 22 2.439 -7.572 -0.067 1.00 0.00 C ATOM 282 C GLU A 22 2.840 -6.923 -1.381 1.00 0.00 C ATOM 283 O GLU A 22 1.990 -6.495 -2.162 1.00 0.00 O ATOM 284 CB GLU A 22 1.272 -8.538 -0.279 1.00 0.00 C ATOM 285 CG GLU A 22 1.709 -9.946 -0.633 1.00 0.00 C ATOM 286 CD GLU A 22 2.516 -10.582 0.479 1.00 0.00 C ATOM 287 OE1 GLU A 22 1.915 -11.008 1.490 1.00 0.00 O ATOM 288 OE2 GLU A 22 3.756 -10.651 0.355 1.00 0.00 O ATOM 0 H GLU A 22 1.070 -6.449 1.043 1.00 0.00 H new ATOM 0 HA GLU A 22 3.287 -8.138 0.318 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.668 -8.571 0.628 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.633 -8.154 -1.074 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.831 -10.558 -0.840 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.304 -9.923 -1.546 1.00 0.00 H new ATOM 295 N ILE A 23 4.138 -6.826 -1.602 1.00 0.00 N ATOM 296 CA ILE A 23 4.660 -6.149 -2.772 1.00 0.00 C ATOM 297 C ILE A 23 4.921 -7.139 -3.894 1.00 0.00 C ATOM 298 O ILE A 23 5.862 -7.935 -3.836 1.00 0.00 O ATOM 299 CB ILE A 23 5.962 -5.384 -2.449 1.00 0.00 C ATOM 300 CG1 ILE A 23 5.738 -4.455 -1.251 1.00 0.00 C ATOM 301 CG2 ILE A 23 6.432 -4.592 -3.664 1.00 0.00 C ATOM 302 CD1 ILE A 23 6.975 -3.689 -0.830 1.00 0.00 C ATOM 0 H ILE A 23 4.852 -7.210 -0.983 1.00 0.00 H new ATOM 0 HA ILE A 23 3.906 -5.430 -3.092 1.00 0.00 H new ATOM 0 HB ILE A 23 6.740 -6.104 -2.193 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.949 -3.745 -1.497 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.383 -5.046 -0.407 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.351 -4.059 -3.418 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.619 -5.274 -4.493 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.663 -3.875 -3.951 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.737 -3.054 0.023 1.00 0.00 H new ATOM 0 HD12 ILE A 23 7.761 -4.391 -0.551 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.319 -3.070 -1.658 1.00 0.00 H new ATOM 314 N ASP A 24 4.069 -7.100 -4.905 1.00 0.00 N ATOM 315 CA ASP A 24 4.264 -7.907 -6.096 1.00 0.00 C ATOM 316 C ASP A 24 5.229 -7.186 -7.025 1.00 0.00 C ATOM 317 O ASP A 24 4.879 -6.175 -7.630 1.00 0.00 O ATOM 318 CB ASP A 24 2.932 -8.170 -6.800 1.00 0.00 C ATOM 319 CG ASP A 24 3.081 -9.078 -8.007 1.00 0.00 C ATOM 320 OD1 ASP A 24 3.076 -10.312 -7.832 1.00 0.00 O ATOM 321 OD2 ASP A 24 3.191 -8.563 -9.137 1.00 0.00 O ATOM 0 H ASP A 24 3.233 -6.516 -4.924 1.00 0.00 H new ATOM 0 HA ASP A 24 4.682 -8.873 -5.814 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.235 -8.621 -6.094 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.498 -7.221 -7.115 1.00 0.00 H new ATOM 326 N ASP A 25 6.447 -7.699 -7.120 1.00 0.00 N ATOM 327 CA ASP A 25 7.516 -7.015 -7.850 1.00 0.00 C ATOM 328 C ASP A 25 7.294 -7.113 -9.353 1.00 0.00 C ATOM 329 O ASP A 25 7.941 -6.423 -10.142 1.00 0.00 O ATOM 330 CB ASP A 25 8.874 -7.611 -7.470 1.00 0.00 C ATOM 331 CG ASP A 25 10.040 -6.805 -8.010 1.00 0.00 C ATOM 332 OD1 ASP A 25 10.232 -5.654 -7.559 1.00 0.00 O ATOM 333 OD2 ASP A 25 10.789 -7.323 -8.863 1.00 0.00 O ATOM 0 H ASP A 25 6.724 -8.587 -6.702 1.00 0.00 H new ATOM 0 HA ASP A 25 7.503 -5.960 -7.575 1.00 0.00 H new ATOM 0 HB2 ASP A 25 8.950 -7.669 -6.384 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.937 -8.631 -7.848 1.00 0.00 H new ATOM 338 N ASP A 26 6.360 -7.963 -9.739 1.00 0.00 N ATOM 339 CA ASP A 26 6.037 -8.161 -11.142 1.00 0.00 C ATOM 340 C ASP A 26 5.138 -7.043 -11.658 1.00 0.00 C ATOM 341 O ASP A 26 5.489 -6.331 -12.599 1.00 0.00 O ATOM 342 CB ASP A 26 5.368 -9.521 -11.344 1.00 0.00 C ATOM 343 CG ASP A 26 4.915 -9.741 -12.769 1.00 0.00 C ATOM 344 OD1 ASP A 26 5.737 -9.565 -13.687 1.00 0.00 O ATOM 345 OD2 ASP A 26 3.742 -10.122 -12.973 1.00 0.00 O ATOM 0 H ASP A 26 5.808 -8.531 -9.096 1.00 0.00 H new ATOM 0 HA ASP A 26 6.965 -8.138 -11.713 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.065 -10.310 -11.063 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.509 -9.602 -10.677 1.00 0.00 H new ATOM 350 N THR A 27 3.986 -6.879 -11.028 1.00 0.00 N ATOM 351 CA THR A 27 3.031 -5.859 -11.433 1.00 0.00 C ATOM 352 C THR A 27 3.396 -4.504 -10.833 1.00 0.00 C ATOM 353 O THR A 27 3.112 -3.454 -11.415 1.00 0.00 O ATOM 354 CB THR A 27 1.600 -6.238 -11.006 1.00 0.00 C ATOM 355 OG1 THR A 27 1.574 -6.542 -9.604 1.00 0.00 O ATOM 356 CG2 THR A 27 1.096 -7.439 -11.791 1.00 0.00 C ATOM 0 H THR A 27 3.688 -7.441 -10.231 1.00 0.00 H new ATOM 0 HA THR A 27 3.069 -5.791 -12.520 1.00 0.00 H new ATOM 0 HB THR A 27 0.949 -5.389 -11.213 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.958 -7.431 -9.455 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.084 -7.685 -11.470 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.091 -7.202 -12.855 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.751 -8.292 -11.612 1.00 0.00 H new ATOM 364 N GLY A 28 4.043 -4.537 -9.676 1.00 0.00 N ATOM 365 CA GLY A 28 4.410 -3.314 -8.994 1.00 0.00 C ATOM 366 C GLY A 28 3.350 -2.877 -8.004 1.00 0.00 C ATOM 367 O GLY A 28 3.357 -1.739 -7.535 1.00 0.00 O ATOM 0 H GLY A 28 4.321 -5.393 -9.197 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.356 -3.460 -8.472 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.569 -2.524 -9.727 1.00 0.00 H new ATOM 371 N LEU A 29 2.443 -3.787 -7.682 1.00 0.00 N ATOM 372 CA LEU A 29 1.348 -3.487 -6.771 1.00 0.00 C ATOM 373 C LEU A 29 1.682 -3.895 -5.341 1.00 0.00 C ATOM 374 O LEU A 29 2.358 -4.896 -5.102 1.00 0.00 O ATOM 375 CB LEU A 29 0.057 -4.182 -7.218 1.00 0.00 C ATOM 376 CG LEU A 29 -0.792 -3.416 -8.240 1.00 0.00 C ATOM 377 CD1 LEU A 29 -0.047 -3.228 -9.554 1.00 0.00 C ATOM 378 CD2 LEU A 29 -2.111 -4.134 -8.469 1.00 0.00 C ATOM 0 H LEU A 29 2.444 -4.742 -8.039 1.00 0.00 H new ATOM 0 HA LEU A 29 1.198 -2.408 -6.795 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.317 -5.152 -7.643 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.554 -4.374 -6.336 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.996 -2.425 -7.834 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.678 -2.682 -10.255 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.869 -2.665 -9.376 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.202 -4.203 -9.974 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.705 -3.581 -9.196 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.918 -5.138 -8.847 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.658 -4.199 -7.528 1.00 0.00 H new ATOM 390 N VAL A 30 1.203 -3.097 -4.400 1.00 0.00 N ATOM 391 CA VAL A 30 1.374 -3.368 -2.985 1.00 0.00 C ATOM 392 C VAL A 30 0.020 -3.637 -2.341 1.00 0.00 C ATOM 393 O VAL A 30 -0.801 -2.728 -2.197 1.00 0.00 O ATOM 394 CB VAL A 30 2.052 -2.185 -2.261 1.00 0.00 C ATOM 395 CG1 VAL A 30 2.178 -2.460 -0.772 1.00 0.00 C ATOM 396 CG2 VAL A 30 3.415 -1.889 -2.865 1.00 0.00 C ATOM 0 H VAL A 30 0.684 -2.242 -4.598 1.00 0.00 H new ATOM 0 HA VAL A 30 2.015 -4.245 -2.891 1.00 0.00 H new ATOM 0 HB VAL A 30 1.421 -1.306 -2.394 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.659 -1.612 -0.285 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.187 -2.610 -0.345 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.779 -3.356 -0.617 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.872 -1.052 -2.338 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.053 -2.768 -2.772 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.299 -1.635 -3.918 1.00 0.00 H new ATOM 406 N SER A 31 -0.218 -4.886 -1.981 1.00 0.00 N ATOM 407 CA SER A 31 -1.451 -5.271 -1.318 1.00 0.00 C ATOM 408 C SER A 31 -1.302 -5.102 0.191 1.00 0.00 C ATOM 409 O SER A 31 -0.485 -5.769 0.825 1.00 0.00 O ATOM 410 CB SER A 31 -1.794 -6.722 -1.655 1.00 0.00 C ATOM 411 OG SER A 31 -1.687 -6.970 -3.050 1.00 0.00 O ATOM 0 H SER A 31 0.432 -5.656 -2.138 1.00 0.00 H new ATOM 0 HA SER A 31 -2.260 -4.629 -1.667 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.125 -7.391 -1.113 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.807 -6.945 -1.321 1.00 0.00 H new ATOM 0 HG SER A 31 -1.911 -7.906 -3.234 1.00 0.00 H new ATOM 417 N TYR A 32 -2.083 -4.205 0.761 1.00 0.00 N ATOM 418 CA TYR A 32 -1.996 -3.911 2.179 1.00 0.00 C ATOM 419 C TYR A 32 -3.295 -4.279 2.883 1.00 0.00 C ATOM 420 O TYR A 32 -4.385 -4.092 2.340 1.00 0.00 O ATOM 421 CB TYR A 32 -1.668 -2.428 2.401 1.00 0.00 C ATOM 422 CG TYR A 32 -2.655 -1.473 1.758 1.00 0.00 C ATOM 423 CD1 TYR A 32 -2.595 -1.199 0.399 1.00 0.00 C ATOM 424 CD2 TYR A 32 -3.646 -0.848 2.505 1.00 0.00 C ATOM 425 CE1 TYR A 32 -3.488 -0.332 -0.196 1.00 0.00 C ATOM 426 CE2 TYR A 32 -4.545 0.022 1.914 1.00 0.00 C ATOM 427 CZ TYR A 32 -4.459 0.275 0.563 1.00 0.00 C ATOM 428 OH TYR A 32 -5.345 1.144 -0.037 1.00 0.00 O ATOM 0 H TYR A 32 -2.789 -3.664 0.261 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.192 -4.511 2.605 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -1.633 -2.231 3.472 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.672 -2.224 2.007 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.835 -1.673 -0.204 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -3.716 -1.045 3.565 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.424 -0.131 -1.255 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -5.310 0.500 2.509 1.00 0.00 H new ATOM 0 HH TYR A 32 -5.483 0.878 -0.970 1.00 0.00 H new ATOM 438 N HIS A 33 -3.165 -4.818 4.083 1.00 0.00 N ATOM 439 CA HIS A 33 -4.318 -5.193 4.885 1.00 0.00 C ATOM 440 C HIS A 33 -4.690 -4.070 5.843 1.00 0.00 C ATOM 441 O HIS A 33 -3.896 -3.681 6.701 1.00 0.00 O ATOM 442 CB HIS A 33 -4.027 -6.495 5.649 1.00 0.00 C ATOM 443 CG HIS A 33 -5.062 -6.889 6.656 1.00 0.00 C ATOM 444 ND1 HIS A 33 -4.770 -7.100 7.988 1.00 0.00 N ATOM 445 CD2 HIS A 33 -6.381 -7.139 6.520 1.00 0.00 C ATOM 446 CE1 HIS A 33 -5.865 -7.464 8.622 1.00 0.00 C ATOM 447 NE2 HIS A 33 -6.860 -7.500 7.757 1.00 0.00 N ATOM 0 H HIS A 33 -2.266 -5.007 4.526 1.00 0.00 H new ATOM 0 HA HIS A 33 -5.167 -5.364 4.224 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.919 -7.304 4.927 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -3.069 -6.392 6.158 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -3.850 -6.991 8.415 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -6.955 -7.068 5.608 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -5.937 -7.695 9.675 1.00 0.00 H new ATOM 456 N ASP A 34 -5.893 -3.545 5.664 1.00 0.00 N ATOM 457 CA ASP A 34 -6.439 -2.517 6.541 1.00 0.00 C ATOM 458 C ASP A 34 -6.688 -3.062 7.935 1.00 0.00 C ATOM 459 O ASP A 34 -6.774 -4.277 8.132 1.00 0.00 O ATOM 460 CB ASP A 34 -7.779 -2.008 6.005 1.00 0.00 C ATOM 461 CG ASP A 34 -7.657 -1.131 4.785 1.00 0.00 C ATOM 462 OD1 ASP A 34 -6.815 -0.210 4.797 1.00 0.00 O ATOM 463 OD2 ASP A 34 -8.428 -1.352 3.830 1.00 0.00 O ATOM 0 H ASP A 34 -6.519 -3.819 4.907 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.706 -1.711 6.578 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.411 -2.863 5.764 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.285 -1.450 6.792 1.00 0.00 H new ATOM 468 N GLN A 35 -6.851 -2.159 8.893 1.00 0.00 N ATOM 469 CA GLN A 35 -7.386 -2.531 10.198 1.00 0.00 C ATOM 470 C GLN A 35 -8.864 -2.858 10.018 1.00 0.00 C ATOM 471 O GLN A 35 -9.498 -3.494 10.861 1.00 0.00 O ATOM 472 CB GLN A 35 -7.225 -1.395 11.215 1.00 0.00 C ATOM 473 CG GLN A 35 -5.792 -0.920 11.398 1.00 0.00 C ATOM 474 CD GLN A 35 -5.653 0.075 12.535 1.00 0.00 C ATOM 475 OE1 GLN A 35 -5.375 -0.298 13.676 1.00 0.00 O ATOM 476 NE2 GLN A 35 -5.867 1.347 12.239 1.00 0.00 N ATOM 0 H GLN A 35 -6.622 -1.170 8.793 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.838 -3.391 10.583 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.838 -0.551 10.900 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.611 -1.728 12.178 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.149 -1.779 11.590 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.443 -0.461 10.473 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -6.095 1.617 11.282 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -5.804 2.058 12.968 1.00 0.00 H new ATOM 485 N GLN A 36 -9.383 -2.419 8.876 1.00 0.00 N ATOM 486 CA GLN A 36 -10.758 -2.650 8.474 1.00 0.00 C ATOM 487 C GLN A 36 -10.939 -4.089 7.991 1.00 0.00 C ATOM 488 O GLN A 36 -12.060 -4.572 7.829 1.00 0.00 O ATOM 489 CB GLN A 36 -11.105 -1.654 7.363 1.00 0.00 C ATOM 490 CG GLN A 36 -12.547 -1.692 6.892 1.00 0.00 C ATOM 491 CD GLN A 36 -12.853 -0.601 5.881 1.00 0.00 C ATOM 492 OE1 GLN A 36 -11.843 -0.163 5.135 1.00 0.00 O flip ATOM 493 NE2 GLN A 36 -13.989 -0.139 5.776 1.00 0.00 N flip ATOM 0 H GLN A 36 -8.846 -1.883 8.194 1.00 0.00 H new ATOM 0 HA GLN A 36 -11.427 -2.504 9.322 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -10.881 -0.647 7.716 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -10.455 -1.845 6.509 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -12.756 -2.665 6.447 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -13.210 -1.585 7.750 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -14.742 -0.498 6.364 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -14.178 0.602 5.101 1.00 0.00 H new ATOM 502 N GLY A 37 -9.820 -4.769 7.775 1.00 0.00 N ATOM 503 CA GLY A 37 -9.862 -6.149 7.337 1.00 0.00 C ATOM 504 C GLY A 37 -9.994 -6.281 5.835 1.00 0.00 C ATOM 505 O GLY A 37 -10.668 -7.181 5.342 1.00 0.00 O ATOM 0 H GLY A 37 -8.882 -4.387 7.896 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.955 -6.658 7.664 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.701 -6.653 7.817 1.00 0.00 H new ATOM 509 N ASN A 38 -9.338 -5.391 5.108 1.00 0.00 N ATOM 510 CA ASN A 38 -9.376 -5.417 3.650 1.00 0.00 C ATOM 511 C ASN A 38 -7.984 -5.601 3.091 1.00 0.00 C ATOM 512 O ASN A 38 -7.005 -5.198 3.719 1.00 0.00 O ATOM 513 CB ASN A 38 -9.955 -4.117 3.087 1.00 0.00 C ATOM 514 CG ASN A 38 -11.435 -3.949 3.345 1.00 0.00 C ATOM 515 OD1 ASN A 38 -12.188 -4.919 3.400 1.00 0.00 O ATOM 516 ND2 ASN A 38 -11.856 -2.707 3.503 1.00 0.00 N ATOM 0 H ASN A 38 -8.771 -4.640 5.502 1.00 0.00 H new ATOM 0 HA ASN A 38 -10.013 -6.252 3.357 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -9.421 -3.273 3.523 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -9.777 -4.086 2.012 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -12.843 -2.522 3.679 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -11.194 -1.933 3.449 1.00 0.00 H new ATOM 523 N ALA A 39 -7.896 -6.223 1.930 1.00 0.00 N ATOM 524 CA ALA A 39 -6.649 -6.275 1.195 1.00 0.00 C ATOM 525 C ALA A 39 -6.764 -5.404 -0.043 1.00 0.00 C ATOM 526 O ALA A 39 -7.328 -5.818 -1.058 1.00 0.00 O ATOM 527 CB ALA A 39 -6.297 -7.705 0.818 1.00 0.00 C ATOM 0 H ALA A 39 -8.675 -6.700 1.476 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.846 -5.898 1.828 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.357 -7.715 0.267 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.194 -8.305 1.722 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.087 -8.122 0.194 1.00 0.00 H new ATOM 533 N MET A 40 -6.280 -4.178 0.061 1.00 0.00 N ATOM 534 CA MET A 40 -6.329 -3.248 -1.056 1.00 0.00 C ATOM 535 C MET A 40 -4.947 -3.125 -1.677 1.00 0.00 C ATOM 536 O MET A 40 -3.950 -3.462 -1.042 1.00 0.00 O ATOM 537 CB MET A 40 -6.851 -1.878 -0.608 1.00 0.00 C ATOM 538 CG MET A 40 -8.223 -1.942 0.045 1.00 0.00 C ATOM 539 SD MET A 40 -9.049 -0.340 0.151 1.00 0.00 S ATOM 540 CE MET A 40 -8.074 0.483 1.406 1.00 0.00 C ATOM 0 H MET A 40 -5.849 -3.803 0.906 1.00 0.00 H new ATOM 0 HA MET A 40 -7.021 -3.633 -1.805 1.00 0.00 H new ATOM 0 HB2 MET A 40 -6.142 -1.438 0.094 1.00 0.00 H new ATOM 0 HB3 MET A 40 -6.898 -1.214 -1.471 1.00 0.00 H new ATOM 0 HG2 MET A 40 -8.853 -2.629 -0.519 1.00 0.00 H new ATOM 0 HG3 MET A 40 -8.120 -2.355 1.048 1.00 0.00 H new ATOM 0 HE1 MET A 40 -8.717 0.763 2.241 1.00 0.00 H new ATOM 0 HE2 MET A 40 -7.293 -0.190 1.759 1.00 0.00 H new ATOM 0 HE3 MET A 40 -7.618 1.378 0.983 1.00 0.00 H new ATOM 550 N GLN A 41 -4.878 -2.655 -2.912 1.00 0.00 N ATOM 551 CA GLN A 41 -3.605 -2.597 -3.617 1.00 0.00 C ATOM 552 C GLN A 41 -3.293 -1.177 -4.078 1.00 0.00 C ATOM 553 O GLN A 41 -4.148 -0.501 -4.655 1.00 0.00 O ATOM 554 CB GLN A 41 -3.611 -3.524 -4.840 1.00 0.00 C ATOM 555 CG GLN A 41 -4.109 -4.936 -4.566 1.00 0.00 C ATOM 556 CD GLN A 41 -5.600 -5.094 -4.803 1.00 0.00 C ATOM 557 OE1 GLN A 41 -6.418 -4.911 -3.902 1.00 0.00 O ATOM 558 NE2 GLN A 41 -5.961 -5.443 -6.026 1.00 0.00 N ATOM 0 H GLN A 41 -5.678 -2.311 -3.443 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.837 -2.924 -2.916 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -4.235 -3.077 -5.614 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -2.599 -3.582 -5.240 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -3.569 -5.636 -5.203 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -3.880 -5.203 -3.534 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.252 -5.585 -6.746 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.948 -5.570 -6.250 1.00 0.00 H new ATOM 567 N ILE A 42 -2.080 -0.720 -3.801 1.00 0.00 N ATOM 568 CA ILE A 42 -1.574 0.499 -4.416 1.00 0.00 C ATOM 569 C ILE A 42 -0.403 0.149 -5.318 1.00 0.00 C ATOM 570 O ILE A 42 -0.047 -1.017 -5.448 1.00 0.00 O ATOM 571 CB ILE A 42 -1.102 1.575 -3.405 1.00 0.00 C ATOM 572 CG1 ILE A 42 0.138 1.110 -2.636 1.00 0.00 C ATOM 573 CG2 ILE A 42 -2.211 1.937 -2.432 1.00 0.00 C ATOM 574 CD1 ILE A 42 0.931 2.253 -2.050 1.00 0.00 C ATOM 0 H ILE A 42 -1.431 -1.172 -3.158 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.410 0.928 -4.968 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.839 2.464 -3.979 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.169 0.439 -1.834 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.779 0.535 -3.304 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.851 2.694 -1.735 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.065 2.329 -2.984 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.514 1.048 -1.878 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.797 1.860 -1.517 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.266 2.912 -2.851 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.303 2.814 -1.358 1.00 0.00 H new ATOM 586 N ASN A 43 0.186 1.147 -5.940 1.00 0.00 N ATOM 587 CA ASN A 43 1.389 0.933 -6.724 1.00 0.00 C ATOM 588 C ASN A 43 2.624 1.325 -5.927 1.00 0.00 C ATOM 589 O ASN A 43 2.560 2.204 -5.068 1.00 0.00 O ATOM 590 CB ASN A 43 1.336 1.727 -8.023 1.00 0.00 C ATOM 591 CG ASN A 43 0.905 0.876 -9.202 1.00 0.00 C ATOM 592 OD1 ASN A 43 -0.284 0.766 -9.503 1.00 0.00 O ATOM 593 ND2 ASN A 43 1.866 0.270 -9.878 1.00 0.00 N ATOM 0 H ASN A 43 -0.144 2.112 -5.920 1.00 0.00 H new ATOM 0 HA ASN A 43 1.448 -0.128 -6.966 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.644 2.561 -7.908 1.00 0.00 H new ATOM 0 HB3 ASN A 43 2.318 2.153 -8.226 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.634 -0.314 -10.681 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.839 0.387 -9.596 1.00 0.00 H new ATOM 600 N ARG A 44 3.747 0.679 -6.221 1.00 0.00 N ATOM 601 CA ARG A 44 5.000 0.964 -5.527 1.00 0.00 C ATOM 602 C ARG A 44 5.437 2.402 -5.793 1.00 0.00 C ATOM 603 O ARG A 44 6.160 3.001 -4.996 1.00 0.00 O ATOM 604 CB ARG A 44 6.100 -0.023 -5.948 1.00 0.00 C ATOM 605 CG ARG A 44 7.374 0.112 -5.126 1.00 0.00 C ATOM 606 CD ARG A 44 8.325 -1.057 -5.345 1.00 0.00 C ATOM 607 NE ARG A 44 8.893 -1.089 -6.694 1.00 0.00 N ATOM 608 CZ ARG A 44 9.359 -2.198 -7.276 1.00 0.00 C ATOM 609 NH1 ARG A 44 9.291 -3.363 -6.640 1.00 0.00 N ATOM 610 NH2 ARG A 44 9.897 -2.140 -8.488 1.00 0.00 N ATOM 0 H ARG A 44 3.817 -0.046 -6.935 1.00 0.00 H new ATOM 0 HA ARG A 44 4.833 0.843 -4.457 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.721 -1.041 -5.854 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.336 0.134 -7.001 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.878 1.042 -5.389 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.117 0.176 -4.069 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.135 -1.000 -4.617 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.793 -1.990 -5.159 1.00 0.00 H new ATOM 0 HE ARG A 44 8.935 -0.216 -7.219 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.883 -3.411 -5.707 1.00 0.00 H new ATOM 0 HH12 ARG A 44 9.647 -4.209 -7.085 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.956 -1.247 -8.978 1.00 0.00 H new ATOM 0 HH22 ARG A 44 10.252 -2.988 -8.930 1.00 0.00 H new ATOM 624 N ASP A 45 4.963 2.953 -6.908 1.00 0.00 N ATOM 625 CA ASP A 45 5.224 4.348 -7.270 1.00 0.00 C ATOM 626 C ASP A 45 4.657 5.315 -6.240 1.00 0.00 C ATOM 627 O ASP A 45 5.044 6.481 -6.196 1.00 0.00 O ATOM 628 CB ASP A 45 4.608 4.685 -8.631 1.00 0.00 C ATOM 629 CG ASP A 45 5.399 4.142 -9.798 1.00 0.00 C ATOM 630 OD1 ASP A 45 6.316 4.843 -10.274 1.00 0.00 O ATOM 631 OD2 ASP A 45 5.085 3.030 -10.268 1.00 0.00 O ATOM 0 H ASP A 45 4.389 2.449 -7.585 1.00 0.00 H new ATOM 0 HA ASP A 45 6.308 4.459 -7.310 1.00 0.00 H new ATOM 0 HB2 ASP A 45 3.594 4.286 -8.672 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.529 5.768 -8.728 1.00 0.00 H new ATOM 636 N ASP A 46 3.724 4.849 -5.420 1.00 0.00 N ATOM 637 CA ASP A 46 3.072 5.732 -4.466 1.00 0.00 C ATOM 638 C ASP A 46 3.458 5.388 -3.032 1.00 0.00 C ATOM 639 O ASP A 46 3.012 6.039 -2.093 1.00 0.00 O ATOM 640 CB ASP A 46 1.551 5.688 -4.632 1.00 0.00 C ATOM 641 CG ASP A 46 0.884 6.925 -4.059 1.00 0.00 C ATOM 642 OD1 ASP A 46 1.329 8.041 -4.396 1.00 0.00 O ATOM 643 OD2 ASP A 46 -0.090 6.790 -3.290 1.00 0.00 O ATOM 0 H ASP A 46 3.406 3.880 -5.396 1.00 0.00 H new ATOM 0 HA ASP A 46 3.416 6.745 -4.673 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.304 5.599 -5.690 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.157 4.801 -4.137 1.00 0.00 H new ATOM 648 N VAL A 47 4.295 4.375 -2.857 1.00 0.00 N ATOM 649 CA VAL A 47 4.772 4.025 -1.521 1.00 0.00 C ATOM 650 C VAL A 47 5.876 4.991 -1.109 1.00 0.00 C ATOM 651 O VAL A 47 7.005 4.896 -1.592 1.00 0.00 O ATOM 652 CB VAL A 47 5.313 2.580 -1.436 1.00 0.00 C ATOM 653 CG1 VAL A 47 5.490 2.166 0.016 1.00 0.00 C ATOM 654 CG2 VAL A 47 4.391 1.609 -2.149 1.00 0.00 C ATOM 0 H VAL A 47 4.655 3.787 -3.609 1.00 0.00 H new ATOM 0 HA VAL A 47 3.917 4.095 -0.848 1.00 0.00 H new ATOM 0 HB VAL A 47 6.283 2.554 -1.932 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.872 1.146 0.060 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.196 2.839 0.503 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.529 2.216 0.528 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.796 0.600 -2.073 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.404 1.639 -1.688 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.309 1.889 -3.199 1.00 0.00 H new ATOM 664 N SER A 48 5.547 5.929 -0.237 1.00 0.00 N ATOM 665 CA SER A 48 6.488 6.971 0.138 1.00 0.00 C ATOM 666 C SER A 48 7.285 6.578 1.380 1.00 0.00 C ATOM 667 O SER A 48 8.503 6.391 1.315 1.00 0.00 O ATOM 668 CB SER A 48 5.735 8.288 0.358 1.00 0.00 C ATOM 669 OG SER A 48 6.615 9.336 0.732 1.00 0.00 O ATOM 0 H SER A 48 4.639 5.991 0.223 1.00 0.00 H new ATOM 0 HA SER A 48 7.204 7.105 -0.673 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.208 8.563 -0.555 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.981 8.152 1.133 1.00 0.00 H new ATOM 0 HG SER A 48 6.104 10.162 0.863 1.00 0.00 H new ATOM 675 N GLN A 49 6.601 6.435 2.505 1.00 0.00 N ATOM 676 CA GLN A 49 7.261 6.119 3.761 1.00 0.00 C ATOM 677 C GLN A 49 6.463 5.095 4.555 1.00 0.00 C ATOM 678 O GLN A 49 5.270 5.269 4.802 1.00 0.00 O ATOM 679 CB GLN A 49 7.490 7.394 4.581 1.00 0.00 C ATOM 680 CG GLN A 49 6.268 8.297 4.669 1.00 0.00 C ATOM 681 CD GLN A 49 6.557 9.602 5.383 1.00 0.00 C ATOM 682 OE1 GLN A 49 6.973 10.581 4.764 1.00 0.00 O ATOM 683 NE2 GLN A 49 6.317 9.638 6.683 1.00 0.00 N ATOM 0 H GLN A 49 5.588 6.533 2.573 1.00 0.00 H new ATOM 0 HA GLN A 49 8.232 5.678 3.535 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.798 7.116 5.589 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.314 7.955 4.140 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.905 8.510 3.663 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.469 7.771 5.191 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.973 8.806 7.161 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.476 10.498 7.207 1.00 0.00 H new ATOM 692 N ILE A 50 7.131 4.020 4.934 1.00 0.00 N ATOM 693 CA ILE A 50 6.498 2.941 5.672 1.00 0.00 C ATOM 694 C ILE A 50 7.184 2.747 7.025 1.00 0.00 C ATOM 695 O ILE A 50 6.578 2.248 7.972 1.00 0.00 O ATOM 696 CB ILE A 50 6.522 1.627 4.856 1.00 0.00 C ATOM 697 CG1 ILE A 50 5.845 0.494 5.626 1.00 0.00 C ATOM 698 CG2 ILE A 50 7.947 1.250 4.479 1.00 0.00 C ATOM 699 CD1 ILE A 50 5.832 -0.818 4.875 1.00 0.00 C ATOM 0 H ILE A 50 8.121 3.870 4.741 1.00 0.00 H new ATOM 0 HA ILE A 50 5.457 3.211 5.847 1.00 0.00 H new ATOM 0 HB ILE A 50 5.961 1.791 3.936 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.358 0.354 6.578 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.819 0.783 5.856 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.939 0.323 3.906 1.00 0.00 H new ATOM 0 HG22 ILE A 50 8.386 2.045 3.877 1.00 0.00 H new ATOM 0 HG23 ILE A 50 8.538 1.112 5.384 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.337 -1.578 5.479 1.00 0.00 H new ATOM 0 HD12 ILE A 50 5.294 -0.694 3.935 1.00 0.00 H new ATOM 0 HD13 ILE A 50 6.856 -1.129 4.668 1.00 0.00 H new ATOM 711 N ILE A 51 8.448 3.177 7.102 1.00 0.00 N ATOM 712 CA ILE A 51 9.234 3.122 8.339 1.00 0.00 C ATOM 713 C ILE A 51 9.618 1.684 8.701 1.00 0.00 C ATOM 714 O ILE A 51 8.763 0.833 8.945 1.00 0.00 O ATOM 715 CB ILE A 51 8.502 3.794 9.539 1.00 0.00 C ATOM 716 CG1 ILE A 51 8.534 5.327 9.427 1.00 0.00 C ATOM 717 CG2 ILE A 51 9.110 3.361 10.870 1.00 0.00 C ATOM 718 CD1 ILE A 51 7.664 5.895 8.325 1.00 0.00 C ATOM 0 H ILE A 51 8.954 3.572 6.310 1.00 0.00 H new ATOM 0 HA ILE A 51 10.144 3.689 8.142 1.00 0.00 H new ATOM 0 HB ILE A 51 7.464 3.465 9.505 1.00 0.00 H new ATOM 0 HG12 ILE A 51 8.218 5.755 10.379 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.563 5.645 9.260 1.00 0.00 H new ATOM 0 HG21 ILE A 51 8.578 3.847 11.688 1.00 0.00 H new ATOM 0 HG22 ILE A 51 9.026 2.279 10.974 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.161 3.648 10.900 1.00 0.00 H new ATOM 0 HD11 ILE A 51 7.748 6.982 8.319 1.00 0.00 H new ATOM 0 HD12 ILE A 51 7.991 5.501 7.363 1.00 0.00 H new ATOM 0 HD13 ILE A 51 6.626 5.612 8.499 1.00 0.00 H new ATOM 730 N GLU A 52 10.917 1.424 8.724 1.00 0.00 N ATOM 731 CA GLU A 52 11.427 0.132 9.156 1.00 0.00 C ATOM 732 C GLU A 52 11.383 0.064 10.678 1.00 0.00 C ATOM 733 O GLU A 52 11.842 0.985 11.355 1.00 0.00 O ATOM 734 CB GLU A 52 12.860 -0.072 8.650 1.00 0.00 C ATOM 735 CG GLU A 52 13.460 -1.422 9.017 1.00 0.00 C ATOM 736 CD GLU A 52 12.721 -2.582 8.384 1.00 0.00 C ATOM 737 OE1 GLU A 52 11.668 -2.981 8.919 1.00 0.00 O ATOM 738 OE2 GLU A 52 13.194 -3.106 7.353 1.00 0.00 O ATOM 0 H GLU A 52 11.637 2.092 8.448 1.00 0.00 H new ATOM 0 HA GLU A 52 10.807 -0.662 8.741 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.870 0.036 7.565 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.493 0.718 9.055 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.504 -1.448 8.705 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.449 -1.537 10.101 1.00 0.00 H new ATOM 745 N ARG A 53 10.823 -1.020 11.206 1.00 0.00 N ATOM 746 CA ARG A 53 10.625 -1.170 12.647 1.00 0.00 C ATOM 747 C ARG A 53 11.955 -1.230 13.407 1.00 0.00 C ATOM 748 O ARG A 53 12.611 -2.271 13.483 1.00 0.00 O ATOM 749 CB ARG A 53 9.739 -2.394 12.950 1.00 0.00 C ATOM 750 CG ARG A 53 9.851 -3.525 11.930 1.00 0.00 C ATOM 751 CD ARG A 53 11.093 -4.376 12.142 1.00 0.00 C ATOM 752 NE ARG A 53 11.729 -4.725 10.875 1.00 0.00 N ATOM 753 CZ ARG A 53 12.487 -5.800 10.683 1.00 0.00 C ATOM 754 NH1 ARG A 53 12.635 -6.700 11.646 1.00 0.00 N ATOM 755 NH2 ARG A 53 13.078 -5.985 9.510 1.00 0.00 N ATOM 0 H ARG A 53 10.496 -1.813 10.655 1.00 0.00 H new ATOM 0 HA ARG A 53 10.104 -0.281 13.003 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.002 -2.782 13.934 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.699 -2.070 13.002 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.965 -4.157 11.994 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.870 -3.104 10.925 1.00 0.00 H new ATOM 0 HD2 ARG A 53 11.802 -3.836 12.769 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.824 -5.286 12.677 1.00 0.00 H new ATOM 0 HE ARG A 53 11.581 -4.101 10.082 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.165 -6.570 12.542 1.00 0.00 H new ATOM 0 HH12 ARG A 53 13.218 -7.522 11.490 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.950 -5.304 8.761 1.00 0.00 H new ATOM 0 HH22 ARG A 53 13.661 -6.808 9.357 1.00 0.00 H new TER 769 ARG A 53