USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 473 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 27 MET CE :methyl 144:sc= -10.1! (180deg=-6.9!) USER MOD Set 1.2: A 42 CYS SG : rot 120:sc= -1.88 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.591 X(o=-0.59,f=-0.32) USER MOD Single : A 6 GLN : amide:sc= -5.53! K(o=-5.5!,f=-1.3) USER MOD Single : A 7 THR OG1 : rot 104:sc= 0.79 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -160:sc= -4.92! USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc=-0.00217 X(o=-0.0022,f=-0.0022) USER MOD Single : A 23 LYS NZ :NH3+ 148:sc= -2.33 (180deg=-3.84!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.114 K(o=-0.11,f=-0.98) USER MOD Single : A 41 LYS NZ :NH3+ -160:sc= -3.54! (180deg=-6.34!) USER MOD Single : A 43 LYS NZ :NH3+ -134:sc= -0.878 (180deg=-3.17!) USER MOD Single : A 44 ASN : amide:sc= 0.285 K(o=0.29,f=-3!) USER MOD Single : A 48 GLN : amide:sc= -0.685 X(o=-0.69,f=-0.4) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.0249 X(o=-0.025,f=-0.18) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 10 N SER A 2 12.943 -8.502 0.561 1.00 0.00 N ATOM 11 CA SER A 2 11.887 -7.695 -0.037 1.00 0.00 C ATOM 12 C SER A 2 11.189 -6.846 1.016 1.00 0.00 C ATOM 13 O SER A 2 10.708 -7.364 2.023 1.00 0.00 O ATOM 14 CB SER A 2 10.854 -8.589 -0.734 1.00 0.00 C ATOM 15 OG SER A 2 10.925 -8.447 -2.142 1.00 0.00 O ATOM 0 HA SER A 2 12.350 -7.037 -0.773 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.026 -9.630 -0.461 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.853 -8.330 -0.389 1.00 0.00 H new ATOM 0 HG SER A 2 10.258 -9.028 -2.563 1.00 0.00 H new ATOM 21 N HIS A 3 11.107 -5.544 0.767 1.00 0.00 N ATOM 22 CA HIS A 3 10.429 -4.649 1.693 1.00 0.00 C ATOM 23 C HIS A 3 8.935 -4.734 1.456 1.00 0.00 C ATOM 24 O HIS A 3 8.465 -4.556 0.332 1.00 0.00 O ATOM 25 CB HIS A 3 10.902 -3.199 1.548 1.00 0.00 C ATOM 26 CG HIS A 3 11.439 -2.854 0.192 1.00 0.00 C ATOM 27 ND1 HIS A 3 12.691 -2.311 -0.008 1.00 0.00 N ATOM 28 CD2 HIS A 3 10.884 -2.974 -1.038 1.00 0.00 C ATOM 29 CE1 HIS A 3 12.883 -2.112 -1.300 1.00 0.00 C ATOM 30 NE2 HIS A 3 11.802 -2.508 -1.947 1.00 0.00 N ATOM 0 H HIS A 3 11.497 -5.090 -0.059 1.00 0.00 H new ATOM 0 HA HIS A 3 10.671 -4.964 2.708 1.00 0.00 H new ATOM 0 HB2 HIS A 3 10.069 -2.534 1.775 1.00 0.00 H new ATOM 0 HB3 HIS A 3 11.676 -3.006 2.291 1.00 0.00 H new ATOM 0 HD2 HIS A 3 9.902 -3.364 -1.262 1.00 0.00 H new ATOM 0 HE1 HIS A 3 13.772 -1.696 -1.750 1.00 0.00 H new ATOM 0 HE2 HIS A 3 11.670 -2.473 -2.958 1.00 0.00 H new ATOM 39 N VAL A 4 8.194 -5.036 2.507 1.00 0.00 N ATOM 40 CA VAL A 4 6.753 -5.175 2.391 1.00 0.00 C ATOM 41 C VAL A 4 6.049 -4.332 3.432 1.00 0.00 C ATOM 42 O VAL A 4 6.677 -3.828 4.355 1.00 0.00 O ATOM 43 CB VAL A 4 6.310 -6.647 2.533 1.00 0.00 C ATOM 44 CG1 VAL A 4 5.347 -7.021 1.419 1.00 0.00 C ATOM 45 CG2 VAL A 4 7.510 -7.578 2.524 1.00 0.00 C ATOM 0 H VAL A 4 8.563 -5.189 3.445 1.00 0.00 H new ATOM 0 HA VAL A 4 6.475 -4.827 1.396 1.00 0.00 H new ATOM 0 HB VAL A 4 5.800 -6.756 3.490 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.044 -8.062 1.534 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.467 -6.380 1.468 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.838 -6.890 0.455 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.171 -8.609 2.625 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.051 -7.465 1.585 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.170 -7.329 3.355 1.00 0.00 H new ATOM 55 N VAL A 5 4.747 -4.168 3.276 1.00 0.00 N ATOM 56 CA VAL A 5 3.975 -3.375 4.215 1.00 0.00 C ATOM 57 C VAL A 5 2.714 -4.104 4.653 1.00 0.00 C ATOM 58 O VAL A 5 2.128 -4.885 3.908 1.00 0.00 O ATOM 59 CB VAL A 5 3.663 -1.956 3.667 1.00 0.00 C ATOM 60 CG1 VAL A 5 3.860 -1.868 2.166 1.00 0.00 C ATOM 61 CG2 VAL A 5 2.277 -1.462 4.059 1.00 0.00 C ATOM 0 H VAL A 5 4.205 -4.571 2.512 1.00 0.00 H new ATOM 0 HA VAL A 5 4.595 -3.236 5.101 1.00 0.00 H new ATOM 0 HB VAL A 5 4.386 -1.292 4.141 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.630 -0.858 1.827 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.895 -2.106 1.920 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.197 -2.577 1.670 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.116 -0.466 3.648 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.523 -2.143 3.665 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.198 -1.423 5.145 1.00 0.00 H new ATOM 71 N GLN A 6 2.323 -3.846 5.884 1.00 0.00 N ATOM 72 CA GLN A 6 1.145 -4.471 6.471 1.00 0.00 C ATOM 73 C GLN A 6 0.010 -3.462 6.557 1.00 0.00 C ATOM 74 O GLN A 6 0.243 -2.291 6.857 1.00 0.00 O ATOM 75 CB GLN A 6 1.487 -5.009 7.862 1.00 0.00 C ATOM 76 CG GLN A 6 0.452 -5.968 8.424 1.00 0.00 C ATOM 77 CD GLN A 6 0.970 -7.389 8.532 1.00 0.00 C ATOM 78 OE1 GLN A 6 0.722 -8.079 9.520 1.00 0.00 O ATOM 79 NE2 GLN A 6 1.696 -7.832 7.512 1.00 0.00 N ATOM 0 H GLN A 6 2.807 -3.200 6.508 1.00 0.00 H new ATOM 0 HA GLN A 6 0.825 -5.301 5.841 1.00 0.00 H new ATOM 0 HB2 GLN A 6 2.451 -5.516 7.818 1.00 0.00 H new ATOM 0 HB3 GLN A 6 1.600 -4.169 8.548 1.00 0.00 H new ATOM 0 HG2 GLN A 6 0.140 -5.623 9.410 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -0.433 -5.955 7.788 1.00 0.00 H new ATOM 0 HE21 GLN A 6 1.877 -7.225 6.713 1.00 0.00 H new ATOM 0 HE22 GLN A 6 2.073 -8.780 7.528 1.00 0.00 H new ATOM 88 N THR A 7 -1.217 -3.898 6.276 1.00 0.00 N ATOM 89 CA THR A 7 -2.344 -2.980 6.320 1.00 0.00 C ATOM 90 C THR A 7 -3.327 -3.322 7.423 1.00 0.00 C ATOM 91 O THR A 7 -3.428 -4.468 7.862 1.00 0.00 O ATOM 92 CB THR A 7 -3.073 -2.964 4.987 1.00 0.00 C ATOM 93 OG1 THR A 7 -3.038 -4.244 4.381 1.00 0.00 O ATOM 94 CG2 THR A 7 -2.490 -1.974 4.005 1.00 0.00 C ATOM 0 H THR A 7 -1.449 -4.858 6.022 1.00 0.00 H new ATOM 0 HA THR A 7 -1.932 -1.993 6.530 1.00 0.00 H new ATOM 0 HB THR A 7 -4.096 -2.666 5.217 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.908 -4.682 4.490 1.00 0.00 H new ATOM 0 HG21 THR A 7 -3.054 -2.011 3.073 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.546 -0.969 4.424 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.448 -2.227 3.808 1.00 0.00 H new ATOM 102 N LEU A 8 -4.056 -2.304 7.854 1.00 0.00 N ATOM 103 CA LEU A 8 -5.050 -2.454 8.898 1.00 0.00 C ATOM 104 C LEU A 8 -6.371 -1.805 8.479 1.00 0.00 C ATOM 105 O LEU A 8 -7.447 -2.351 8.724 1.00 0.00 O ATOM 106 CB LEU A 8 -4.558 -1.844 10.215 1.00 0.00 C ATOM 107 CG LEU A 8 -3.340 -0.912 10.135 1.00 0.00 C ATOM 108 CD1 LEU A 8 -2.125 -1.636 9.576 1.00 0.00 C ATOM 109 CD2 LEU A 8 -3.665 0.319 9.310 1.00 0.00 C ATOM 0 H LEU A 8 -3.973 -1.355 7.489 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.215 -3.520 9.053 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.383 -1.288 10.660 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.318 -2.659 10.898 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.094 -0.592 11.148 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.280 -0.949 9.532 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.875 -2.478 10.221 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.348 -2.001 8.573 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.790 0.968 9.264 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.946 0.017 8.301 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.493 0.858 9.771 1.00 0.00 H new ATOM 121 N TYR A 9 -6.280 -0.637 7.843 1.00 0.00 N ATOM 122 CA TYR A 9 -7.464 0.089 7.387 1.00 0.00 C ATOM 123 C TYR A 9 -7.460 0.230 5.865 1.00 0.00 C ATOM 124 O TYR A 9 -6.401 0.348 5.252 1.00 0.00 O ATOM 125 CB TYR A 9 -7.526 1.474 8.038 1.00 0.00 C ATOM 126 CG TYR A 9 -8.325 1.504 9.321 1.00 0.00 C ATOM 127 CD1 TYR A 9 -9.554 0.862 9.411 1.00 0.00 C ATOM 128 CD2 TYR A 9 -7.851 2.173 10.443 1.00 0.00 C ATOM 129 CE1 TYR A 9 -10.288 0.886 10.582 1.00 0.00 C ATOM 130 CE2 TYR A 9 -8.579 2.201 11.617 1.00 0.00 C ATOM 131 CZ TYR A 9 -9.796 1.557 11.681 1.00 0.00 C ATOM 132 OH TYR A 9 -10.523 1.582 12.849 1.00 0.00 O ATOM 0 H TYR A 9 -5.396 -0.173 7.632 1.00 0.00 H new ATOM 0 HA TYR A 9 -8.345 -0.481 7.682 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.511 1.816 8.243 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.963 2.179 7.331 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -9.942 0.335 8.552 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.898 2.679 10.397 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -11.242 0.382 10.636 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -8.196 2.725 12.480 1.00 0.00 H new ATOM 0 HH TYR A 9 -10.036 2.096 13.527 1.00 0.00 H new ATOM 142 N PRO A 10 -8.649 0.215 5.234 1.00 0.00 N ATOM 143 CA PRO A 10 -8.773 0.336 3.775 1.00 0.00 C ATOM 144 C PRO A 10 -8.254 1.668 3.243 1.00 0.00 C ATOM 145 O PRO A 10 -8.090 2.630 3.992 1.00 0.00 O ATOM 146 CB PRO A 10 -10.284 0.222 3.524 1.00 0.00 C ATOM 147 CG PRO A 10 -10.844 -0.388 4.762 1.00 0.00 C ATOM 148 CD PRO A 10 -9.961 0.072 5.886 1.00 0.00 C ATOM 0 HA PRO A 10 -8.180 -0.424 3.265 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.726 1.200 3.333 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.492 -0.398 2.652 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.875 -0.071 4.921 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.852 -1.476 4.692 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.306 1.014 6.311 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -9.931 -0.653 6.699 1.00 0.00 H new ATOM 156 N PHE A 11 -8.013 1.714 1.935 1.00 0.00 N ATOM 157 CA PHE A 11 -7.529 2.927 1.279 1.00 0.00 C ATOM 158 C PHE A 11 -8.541 3.418 0.246 1.00 0.00 C ATOM 159 O PHE A 11 -9.330 2.637 -0.286 1.00 0.00 O ATOM 160 CB PHE A 11 -6.158 2.703 0.621 1.00 0.00 C ATOM 161 CG PHE A 11 -5.969 1.344 0.001 1.00 0.00 C ATOM 162 CD1 PHE A 11 -7.022 0.689 -0.612 1.00 0.00 C ATOM 163 CD2 PHE A 11 -4.729 0.723 0.029 1.00 0.00 C ATOM 164 CE1 PHE A 11 -6.846 -0.554 -1.181 1.00 0.00 C ATOM 165 CE2 PHE A 11 -4.547 -0.522 -0.540 1.00 0.00 C ATOM 166 CZ PHE A 11 -5.608 -1.162 -1.146 1.00 0.00 C ATOM 0 H PHE A 11 -8.146 0.922 1.306 1.00 0.00 H new ATOM 0 HA PHE A 11 -7.410 3.692 2.046 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.012 3.461 -0.148 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.382 2.856 1.371 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -7.994 1.158 -0.645 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.895 1.220 0.502 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -7.678 -1.053 -1.655 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -3.576 -0.994 -0.511 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.470 -2.136 -1.592 1.00 0.00 H new ATOM 176 N SER A 12 -8.535 4.720 -0.016 1.00 0.00 N ATOM 177 CA SER A 12 -9.472 5.306 -0.971 1.00 0.00 C ATOM 178 C SER A 12 -8.748 6.104 -2.051 1.00 0.00 C ATOM 179 O SER A 12 -7.822 6.864 -1.766 1.00 0.00 O ATOM 180 CB SER A 12 -10.464 6.207 -0.232 1.00 0.00 C ATOM 181 OG SER A 12 -11.777 5.674 -0.289 1.00 0.00 O ATOM 0 H SER A 12 -7.896 5.388 0.416 1.00 0.00 H new ATOM 0 HA SER A 12 -10.007 4.493 -1.462 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.157 6.315 0.808 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.453 7.204 -0.673 1.00 0.00 H new ATOM 0 HG SER A 12 -12.392 6.267 0.192 1.00 0.00 H new ATOM 187 N SER A 13 -9.187 5.926 -3.293 1.00 0.00 N ATOM 188 CA SER A 13 -8.597 6.626 -4.427 1.00 0.00 C ATOM 189 C SER A 13 -9.163 8.040 -4.545 1.00 0.00 C ATOM 190 O SER A 13 -10.199 8.356 -3.960 1.00 0.00 O ATOM 191 CB SER A 13 -8.864 5.849 -5.718 1.00 0.00 C ATOM 192 OG SER A 13 -7.705 5.781 -6.527 1.00 0.00 O ATOM 0 H SER A 13 -9.953 5.300 -3.540 1.00 0.00 H new ATOM 0 HA SER A 13 -7.521 6.697 -4.265 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.200 4.841 -5.475 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.670 6.329 -6.273 1.00 0.00 H new ATOM 0 HG SER A 13 -7.962 5.575 -7.450 1.00 0.00 H new ATOM 198 N VAL A 14 -8.474 8.886 -5.304 1.00 0.00 N ATOM 199 CA VAL A 14 -8.900 10.265 -5.502 1.00 0.00 C ATOM 200 C VAL A 14 -8.023 10.960 -6.542 1.00 0.00 C ATOM 201 O VAL A 14 -8.517 11.690 -7.402 1.00 0.00 O ATOM 202 CB VAL A 14 -8.869 11.056 -4.177 1.00 0.00 C ATOM 203 CG1 VAL A 14 -7.618 10.716 -3.392 1.00 0.00 C ATOM 204 CG2 VAL A 14 -8.964 12.557 -4.423 1.00 0.00 C ATOM 0 H VAL A 14 -7.614 8.638 -5.794 1.00 0.00 H new ATOM 0 HA VAL A 14 -9.927 10.241 -5.865 1.00 0.00 H new ATOM 0 HB VAL A 14 -9.740 10.765 -3.589 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -7.609 11.281 -2.460 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.607 9.649 -3.170 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -6.738 10.973 -3.981 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -8.939 13.084 -3.469 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.123 12.879 -5.037 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.897 12.783 -4.938 1.00 0.00 H new ATOM 214 N THR A 15 -6.717 10.727 -6.451 1.00 0.00 N ATOM 215 CA THR A 15 -5.761 11.327 -7.379 1.00 0.00 C ATOM 216 C THR A 15 -5.460 10.386 -8.544 1.00 0.00 C ATOM 217 O THR A 15 -5.890 9.234 -8.550 1.00 0.00 O ATOM 218 CB THR A 15 -4.466 11.682 -6.647 1.00 0.00 C ATOM 219 OG1 THR A 15 -4.735 12.058 -5.308 1.00 0.00 O ATOM 220 CG2 THR A 15 -3.702 12.816 -7.297 1.00 0.00 C ATOM 0 H THR A 15 -6.295 10.126 -5.743 1.00 0.00 H new ATOM 0 HA THR A 15 -6.207 12.237 -7.781 1.00 0.00 H new ATOM 0 HB THR A 15 -3.854 10.781 -6.690 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.895 12.280 -4.855 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.794 13.017 -6.728 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.437 12.538 -8.317 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.324 13.711 -7.315 1.00 0.00 H new ATOM 228 N GLU A 16 -4.720 10.887 -9.530 1.00 0.00 N ATOM 229 CA GLU A 16 -4.365 10.094 -10.701 1.00 0.00 C ATOM 230 C GLU A 16 -3.458 8.925 -10.311 1.00 0.00 C ATOM 231 O GLU A 16 -3.579 7.827 -10.853 1.00 0.00 O ATOM 232 CB GLU A 16 -3.690 10.989 -11.754 1.00 0.00 C ATOM 233 CG GLU A 16 -2.465 10.377 -12.419 1.00 0.00 C ATOM 234 CD GLU A 16 -2.791 9.119 -13.200 1.00 0.00 C ATOM 235 OE1 GLU A 16 -3.888 9.055 -13.793 1.00 0.00 O ATOM 236 OE2 GLU A 16 -1.949 8.196 -13.217 1.00 0.00 O ATOM 0 H GLU A 16 -4.355 11.839 -9.540 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.275 9.676 -11.132 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.421 11.234 -12.525 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.399 11.927 -11.281 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.016 11.110 -13.089 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.721 10.144 -11.657 1.00 0.00 H new ATOM 243 N GLU A 17 -2.558 9.167 -9.364 1.00 0.00 N ATOM 244 CA GLU A 17 -1.642 8.128 -8.902 1.00 0.00 C ATOM 245 C GLU A 17 -2.294 7.267 -7.821 1.00 0.00 C ATOM 246 O GLU A 17 -1.709 6.289 -7.357 1.00 0.00 O ATOM 247 CB GLU A 17 -0.350 8.749 -8.361 1.00 0.00 C ATOM 248 CG GLU A 17 0.111 9.976 -9.132 1.00 0.00 C ATOM 249 CD GLU A 17 1.553 10.341 -8.837 1.00 0.00 C ATOM 250 OE1 GLU A 17 2.431 9.466 -8.994 1.00 0.00 O ATOM 251 OE2 GLU A 17 1.804 11.501 -8.450 1.00 0.00 O ATOM 0 H GLU A 17 -2.443 10.069 -8.902 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.400 7.494 -9.755 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.499 9.023 -7.316 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.440 7.999 -8.384 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.003 9.793 -10.201 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.532 10.820 -8.883 1.00 0.00 H new ATOM 258 N GLU A 18 -3.509 7.639 -7.427 1.00 0.00 N ATOM 259 CA GLU A 18 -4.250 6.911 -6.404 1.00 0.00 C ATOM 260 C GLU A 18 -4.884 5.656 -6.987 1.00 0.00 C ATOM 261 O GLU A 18 -4.899 5.468 -8.202 1.00 0.00 O ATOM 262 CB GLU A 18 -5.340 7.806 -5.828 1.00 0.00 C ATOM 263 CG GLU A 18 -5.119 8.206 -4.375 1.00 0.00 C ATOM 264 CD GLU A 18 -3.677 8.570 -4.073 1.00 0.00 C ATOM 265 OE1 GLU A 18 -2.990 9.080 -4.983 1.00 0.00 O ATOM 266 OE2 GLU A 18 -3.237 8.346 -2.926 1.00 0.00 O ATOM 0 H GLU A 18 -4.003 8.447 -7.805 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.555 6.619 -5.617 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.411 8.709 -6.435 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.297 7.291 -5.909 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.760 9.055 -4.136 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.424 7.384 -3.727 1.00 0.00 H new ATOM 273 N LEU A 19 -5.425 4.808 -6.117 1.00 0.00 N ATOM 274 CA LEU A 19 -6.069 3.581 -6.566 1.00 0.00 C ATOM 275 C LEU A 19 -7.038 3.032 -5.527 1.00 0.00 C ATOM 276 O LEU A 19 -6.904 3.288 -4.331 1.00 0.00 O ATOM 277 CB LEU A 19 -5.020 2.522 -6.889 1.00 0.00 C ATOM 278 CG LEU A 19 -4.928 2.144 -8.363 1.00 0.00 C ATOM 279 CD1 LEU A 19 -3.992 3.080 -9.113 1.00 0.00 C ATOM 280 CD2 LEU A 19 -4.490 0.698 -8.509 1.00 0.00 C ATOM 0 H LEU A 19 -5.430 4.947 -5.107 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.638 3.826 -7.463 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.046 2.883 -6.559 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.240 1.624 -6.311 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.918 2.249 -8.806 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.947 2.786 -10.162 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.363 4.102 -9.039 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.995 3.024 -8.677 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.428 0.441 -9.567 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.512 0.566 -8.046 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.214 0.047 -8.019 1.00 0.00 H new ATOM 292 N ASN A 20 -7.998 2.249 -6.003 1.00 0.00 N ATOM 293 CA ASN A 20 -8.982 1.621 -5.136 1.00 0.00 C ATOM 294 C ASN A 20 -9.175 0.163 -5.552 1.00 0.00 C ATOM 295 O ASN A 20 -9.855 -0.140 -6.533 1.00 0.00 O ATOM 296 CB ASN A 20 -10.309 2.393 -5.169 1.00 0.00 C ATOM 297 CG ASN A 20 -11.481 1.581 -4.646 1.00 0.00 C ATOM 298 OD1 ASN A 20 -12.407 1.258 -5.388 1.00 0.00 O ATOM 299 ND2 ASN A 20 -11.444 1.249 -3.360 1.00 0.00 N ATOM 0 H ASN A 20 -8.115 2.034 -6.993 1.00 0.00 H new ATOM 0 HA ASN A 20 -8.620 1.643 -4.108 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -10.209 3.301 -4.575 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -10.517 2.703 -6.193 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -12.204 0.705 -2.952 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -10.656 1.538 -2.781 1.00 0.00 H new ATOM 306 N PHE A 21 -8.556 -0.725 -4.788 1.00 0.00 N ATOM 307 CA PHE A 21 -8.618 -2.168 -5.031 1.00 0.00 C ATOM 308 C PHE A 21 -8.935 -2.904 -3.732 1.00 0.00 C ATOM 309 O PHE A 21 -8.860 -2.321 -2.654 1.00 0.00 O ATOM 310 CB PHE A 21 -7.319 -2.711 -5.660 1.00 0.00 C ATOM 311 CG PHE A 21 -6.076 -1.903 -5.389 1.00 0.00 C ATOM 312 CD1 PHE A 21 -5.870 -1.291 -4.165 1.00 0.00 C ATOM 313 CD2 PHE A 21 -5.105 -1.771 -6.369 1.00 0.00 C ATOM 314 CE1 PHE A 21 -4.722 -0.556 -3.926 1.00 0.00 C ATOM 315 CE2 PHE A 21 -3.956 -1.040 -6.134 1.00 0.00 C ATOM 316 CZ PHE A 21 -3.766 -0.430 -4.912 1.00 0.00 C ATOM 0 H PHE A 21 -7.993 -0.469 -3.977 1.00 0.00 H new ATOM 0 HA PHE A 21 -9.417 -2.346 -5.750 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -7.157 -3.726 -5.296 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -7.459 -2.777 -6.739 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -6.613 -1.388 -3.388 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.248 -2.245 -7.329 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.575 -0.081 -2.967 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.207 -0.947 -6.907 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.871 0.145 -4.727 1.00 0.00 H new ATOM 326 N GLU A 22 -9.317 -4.174 -3.826 1.00 0.00 N ATOM 327 CA GLU A 22 -9.664 -4.940 -2.631 1.00 0.00 C ATOM 328 C GLU A 22 -8.458 -5.058 -1.706 1.00 0.00 C ATOM 329 O GLU A 22 -7.536 -5.838 -1.945 1.00 0.00 O ATOM 330 CB GLU A 22 -10.164 -6.330 -3.014 1.00 0.00 C ATOM 331 CG GLU A 22 -11.568 -6.332 -3.598 1.00 0.00 C ATOM 332 CD GLU A 22 -11.574 -6.126 -5.100 1.00 0.00 C ATOM 333 OE1 GLU A 22 -10.998 -5.120 -5.564 1.00 0.00 O ATOM 334 OE2 GLU A 22 -12.156 -6.971 -5.812 1.00 0.00 O ATOM 0 H GLU A 22 -9.394 -4.690 -4.703 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.460 -4.413 -2.106 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.477 -6.767 -3.739 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.146 -6.970 -2.132 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.054 -7.279 -3.363 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.156 -5.546 -3.125 1.00 0.00 H new ATOM 341 N LYS A 23 -8.480 -4.242 -0.660 1.00 0.00 N ATOM 342 CA LYS A 23 -7.407 -4.182 0.327 1.00 0.00 C ATOM 343 C LYS A 23 -7.393 -5.393 1.253 1.00 0.00 C ATOM 344 O LYS A 23 -8.437 -5.898 1.665 1.00 0.00 O ATOM 345 CB LYS A 23 -7.538 -2.894 1.156 1.00 0.00 C ATOM 346 CG LYS A 23 -6.977 -2.981 2.575 1.00 0.00 C ATOM 347 CD LYS A 23 -5.462 -2.842 2.599 1.00 0.00 C ATOM 348 CE LYS A 23 -5.032 -1.439 2.204 1.00 0.00 C ATOM 349 NZ LYS A 23 -4.929 -0.535 3.382 1.00 0.00 N ATOM 0 H LYS A 23 -9.248 -3.598 -0.470 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.464 -4.185 -0.220 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.029 -2.087 0.629 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.592 -2.622 1.214 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.423 -2.199 3.189 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.261 -3.935 3.019 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.089 -3.072 3.597 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.017 -3.567 1.917 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.068 -1.485 1.697 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.748 -1.027 1.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.177 0.164 3.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.834 -0.043 3.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.704 -1.094 4.230 1.00 0.00 H new ATOM 363 N GLY A 24 -6.185 -5.814 1.606 1.00 0.00 N ATOM 364 CA GLY A 24 -6.008 -6.921 2.520 1.00 0.00 C ATOM 365 C GLY A 24 -5.269 -6.473 3.766 1.00 0.00 C ATOM 366 O GLY A 24 -5.211 -5.279 4.058 1.00 0.00 O ATOM 0 H GLY A 24 -5.315 -5.401 1.269 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.980 -7.331 2.795 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.452 -7.720 2.029 1.00 0.00 H new ATOM 370 N GLU A 25 -4.689 -7.417 4.492 1.00 0.00 N ATOM 371 CA GLU A 25 -3.934 -7.102 5.692 1.00 0.00 C ATOM 372 C GLU A 25 -2.448 -6.987 5.371 1.00 0.00 C ATOM 373 O GLU A 25 -1.615 -6.940 6.273 1.00 0.00 O ATOM 374 CB GLU A 25 -4.159 -8.174 6.760 1.00 0.00 C ATOM 375 CG GLU A 25 -5.615 -8.330 7.169 1.00 0.00 C ATOM 376 CD GLU A 25 -5.774 -8.680 8.636 1.00 0.00 C ATOM 377 OE1 GLU A 25 -5.457 -9.829 9.010 1.00 0.00 O ATOM 378 OE2 GLU A 25 -6.217 -7.806 9.410 1.00 0.00 O ATOM 0 H GLU A 25 -4.728 -8.411 4.268 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.284 -6.144 6.077 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -3.791 -9.130 6.387 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.567 -7.927 7.641 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.149 -7.403 6.961 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.078 -9.108 6.561 1.00 0.00 H new ATOM 385 N THR A 26 -2.118 -6.960 4.079 1.00 0.00 N ATOM 386 CA THR A 26 -0.728 -6.869 3.660 1.00 0.00 C ATOM 387 C THR A 26 -0.586 -6.268 2.264 1.00 0.00 C ATOM 388 O THR A 26 -1.274 -6.663 1.323 1.00 0.00 O ATOM 389 CB THR A 26 -0.082 -8.250 3.677 1.00 0.00 C ATOM 390 OG1 THR A 26 -1.064 -9.266 3.571 1.00 0.00 O ATOM 391 CG2 THR A 26 0.729 -8.520 4.925 1.00 0.00 C ATOM 0 H THR A 26 -2.791 -7.000 3.314 1.00 0.00 H new ATOM 0 HA THR A 26 -0.224 -6.209 4.366 1.00 0.00 H new ATOM 0 HB THR A 26 0.591 -8.262 2.820 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.629 -10.144 3.582 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.160 -9.520 4.870 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.529 -7.784 5.005 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.083 -8.451 5.801 1.00 0.00 H new ATOM 399 N MET A 27 0.338 -5.327 2.150 1.00 0.00 N ATOM 400 CA MET A 27 0.637 -4.662 0.889 1.00 0.00 C ATOM 401 C MET A 27 2.149 -4.495 0.762 1.00 0.00 C ATOM 402 O MET A 27 2.868 -4.640 1.744 1.00 0.00 O ATOM 403 CB MET A 27 -0.087 -3.309 0.802 1.00 0.00 C ATOM 404 CG MET A 27 0.751 -2.116 1.239 1.00 0.00 C ATOM 405 SD MET A 27 -0.229 -0.819 2.018 1.00 0.00 S ATOM 406 CE MET A 27 -1.517 -0.579 0.798 1.00 0.00 C ATOM 0 H MET A 27 0.905 -5.001 2.933 1.00 0.00 H new ATOM 0 HA MET A 27 0.278 -5.271 0.060 1.00 0.00 H new ATOM 0 HB2 MET A 27 -0.413 -3.151 -0.226 1.00 0.00 H new ATOM 0 HB3 MET A 27 -0.985 -3.351 1.418 1.00 0.00 H new ATOM 0 HG2 MET A 27 1.518 -2.453 1.936 1.00 0.00 H new ATOM 0 HG3 MET A 27 1.267 -1.704 0.372 1.00 0.00 H new ATOM 0 HE1 MET A 27 -2.459 -0.362 1.301 1.00 0.00 H new ATOM 0 HE2 MET A 27 -1.252 0.255 0.148 1.00 0.00 H new ATOM 0 HE3 MET A 27 -1.625 -1.484 0.200 1.00 0.00 H new ATOM 416 N GLU A 28 2.639 -4.199 -0.432 1.00 0.00 N ATOM 417 CA GLU A 28 4.075 -4.021 -0.626 1.00 0.00 C ATOM 418 C GLU A 28 4.369 -2.666 -1.246 1.00 0.00 C ATOM 419 O GLU A 28 4.031 -2.407 -2.398 1.00 0.00 O ATOM 420 CB GLU A 28 4.634 -5.132 -1.503 1.00 0.00 C ATOM 421 CG GLU A 28 3.884 -5.317 -2.813 1.00 0.00 C ATOM 422 CD GLU A 28 4.486 -6.406 -3.679 1.00 0.00 C ATOM 423 OE1 GLU A 28 5.708 -6.642 -3.573 1.00 0.00 O ATOM 424 OE2 GLU A 28 3.735 -7.022 -4.464 1.00 0.00 O ATOM 0 H GLU A 28 2.075 -4.078 -1.273 1.00 0.00 H new ATOM 0 HA GLU A 28 4.559 -4.067 0.349 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.680 -4.918 -1.721 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.610 -6.069 -0.946 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.843 -5.560 -2.600 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.885 -4.377 -3.364 1.00 0.00 H new ATOM 431 N VAL A 29 5.002 -1.810 -0.465 1.00 0.00 N ATOM 432 CA VAL A 29 5.339 -0.471 -0.907 1.00 0.00 C ATOM 433 C VAL A 29 6.733 -0.432 -1.523 1.00 0.00 C ATOM 434 O VAL A 29 7.684 -1.001 -0.987 1.00 0.00 O ATOM 435 CB VAL A 29 5.232 0.527 0.266 1.00 0.00 C ATOM 436 CG1 VAL A 29 5.916 1.846 -0.053 1.00 0.00 C ATOM 437 CG2 VAL A 29 3.773 0.757 0.629 1.00 0.00 C ATOM 0 H VAL A 29 5.295 -2.022 0.489 1.00 0.00 H new ATOM 0 HA VAL A 29 4.625 -0.178 -1.677 1.00 0.00 H new ATOM 0 HB VAL A 29 5.747 0.091 1.122 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.819 2.521 0.797 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.972 1.668 -0.256 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.449 2.296 -0.929 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.711 1.463 1.457 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.243 1.162 -0.233 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.318 -0.189 0.923 1.00 0.00 H new ATOM 447 N ILE A 30 6.830 0.239 -2.660 1.00 0.00 N ATOM 448 CA ILE A 30 8.090 0.361 -3.383 1.00 0.00 C ATOM 449 C ILE A 30 8.706 1.744 -3.191 1.00 0.00 C ATOM 450 O ILE A 30 9.914 1.875 -3.001 1.00 0.00 O ATOM 451 CB ILE A 30 7.903 0.099 -4.895 1.00 0.00 C ATOM 452 CG1 ILE A 30 6.513 0.574 -5.353 1.00 0.00 C ATOM 453 CG2 ILE A 30 8.117 -1.377 -5.209 1.00 0.00 C ATOM 454 CD1 ILE A 30 5.450 -0.503 -5.380 1.00 0.00 C ATOM 0 H ILE A 30 6.044 0.712 -3.107 1.00 0.00 H new ATOM 0 HA ILE A 30 8.761 -0.393 -2.972 1.00 0.00 H new ATOM 0 HB ILE A 30 8.650 0.669 -5.447 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.182 1.375 -4.691 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.602 1.002 -6.352 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.982 -1.545 -6.277 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.127 -1.667 -4.921 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.395 -1.976 -4.653 1.00 0.00 H new ATOM 0 HD11 ILE A 30 4.506 -0.074 -5.715 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.752 -1.295 -6.065 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.326 -0.917 -4.379 1.00 0.00 H new ATOM 466 N GLU A 31 7.866 2.774 -3.238 1.00 0.00 N ATOM 467 CA GLU A 31 8.331 4.145 -3.068 1.00 0.00 C ATOM 468 C GLU A 31 8.275 4.554 -1.601 1.00 0.00 C ATOM 469 O GLU A 31 7.196 4.760 -1.044 1.00 0.00 O ATOM 470 CB GLU A 31 7.486 5.103 -3.911 1.00 0.00 C ATOM 471 CG GLU A 31 7.967 6.544 -3.860 1.00 0.00 C ATOM 472 CD GLU A 31 6.848 7.540 -4.091 1.00 0.00 C ATOM 473 OE1 GLU A 31 5.767 7.368 -3.489 1.00 0.00 O ATOM 474 OE2 GLU A 31 7.052 8.492 -4.874 1.00 0.00 O ATOM 0 H GLU A 31 6.862 2.685 -3.392 1.00 0.00 H new ATOM 0 HA GLU A 31 9.366 4.198 -3.405 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.491 4.763 -4.947 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.453 5.061 -3.567 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.425 6.736 -2.890 1.00 0.00 H new ATOM 0 HG3 GLU A 31 8.741 6.692 -4.613 1.00 0.00 H new ATOM 481 N LYS A 32 9.443 4.664 -0.977 1.00 0.00 N ATOM 482 CA LYS A 32 9.531 5.039 0.424 1.00 0.00 C ATOM 483 C LYS A 32 9.728 6.547 0.575 1.00 0.00 C ATOM 484 O LYS A 32 10.758 7.087 0.171 1.00 0.00 O ATOM 485 CB LYS A 32 10.688 4.295 1.091 1.00 0.00 C ATOM 486 CG LYS A 32 10.936 2.901 0.529 1.00 0.00 C ATOM 487 CD LYS A 32 9.660 2.073 0.485 1.00 0.00 C ATOM 488 CE LYS A 32 9.069 1.882 1.873 1.00 0.00 C ATOM 489 NZ LYS A 32 9.819 0.865 2.661 1.00 0.00 N ATOM 0 H LYS A 32 10.344 4.497 -1.425 1.00 0.00 H new ATOM 0 HA LYS A 32 8.595 4.765 0.911 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.597 4.886 0.982 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.486 4.214 2.159 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.351 2.983 -0.476 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.680 2.390 1.140 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.929 2.564 -0.158 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.872 1.100 0.042 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.078 2.833 2.406 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.026 1.576 1.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.385 0.764 3.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.789 -0.049 2.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.808 1.169 2.768 1.00 0.00 H new ATOM 503 N PRO A 33 8.745 7.253 1.164 1.00 0.00 N ATOM 504 CA PRO A 33 8.828 8.703 1.364 1.00 0.00 C ATOM 505 C PRO A 33 10.037 9.094 2.209 1.00 0.00 C ATOM 506 O PRO A 33 9.967 9.115 3.437 1.00 0.00 O ATOM 507 CB PRO A 33 7.527 9.047 2.099 1.00 0.00 C ATOM 508 CG PRO A 33 6.607 7.910 1.811 1.00 0.00 C ATOM 509 CD PRO A 33 7.482 6.697 1.681 1.00 0.00 C ATOM 0 HA PRO A 33 8.947 9.237 0.421 1.00 0.00 H new ATOM 0 HB2 PRO A 33 7.696 9.156 3.170 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.111 9.990 1.745 1.00 0.00 H new ATOM 0 HG2 PRO A 33 5.880 7.783 2.613 1.00 0.00 H new ATOM 0 HG3 PRO A 33 6.044 8.086 0.895 1.00 0.00 H new ATOM 0 HD2 PRO A 33 7.623 6.197 2.639 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.055 5.963 0.998 1.00 0.00 H new ATOM 517 N GLU A 34 11.146 9.397 1.541 1.00 0.00 N ATOM 518 CA GLU A 34 12.373 9.778 2.228 1.00 0.00 C ATOM 519 C GLU A 34 12.379 11.267 2.568 1.00 0.00 C ATOM 520 O GLU A 34 12.604 11.649 3.716 1.00 0.00 O ATOM 521 CB GLU A 34 13.587 9.434 1.363 1.00 0.00 C ATOM 522 CG GLU A 34 14.526 8.427 2.006 1.00 0.00 C ATOM 523 CD GLU A 34 15.395 7.709 0.992 1.00 0.00 C ATOM 524 OE1 GLU A 34 16.268 8.367 0.388 1.00 0.00 O ATOM 525 OE2 GLU A 34 15.200 6.491 0.799 1.00 0.00 O ATOM 0 H GLU A 34 11.219 9.386 0.524 1.00 0.00 H new ATOM 0 HA GLU A 34 12.424 9.218 3.162 1.00 0.00 H new ATOM 0 HB2 GLU A 34 13.242 9.038 0.408 1.00 0.00 H new ATOM 0 HB3 GLU A 34 14.140 10.348 1.148 1.00 0.00 H new ATOM 0 HG2 GLU A 34 15.163 8.939 2.727 1.00 0.00 H new ATOM 0 HG3 GLU A 34 13.941 7.694 2.562 1.00 0.00 H new ATOM 532 N ASN A 35 12.134 12.102 1.563 1.00 0.00 N ATOM 533 CA ASN A 35 12.117 13.549 1.759 1.00 0.00 C ATOM 534 C ASN A 35 10.722 14.122 1.527 1.00 0.00 C ATOM 535 O ASN A 35 10.355 15.138 2.117 1.00 0.00 O ATOM 536 CB ASN A 35 13.123 14.229 0.826 1.00 0.00 C ATOM 537 CG ASN A 35 13.197 13.570 -0.537 1.00 0.00 C ATOM 538 OD1 ASN A 35 12.238 13.601 -1.308 1.00 0.00 O ATOM 539 ND2 ASN A 35 14.341 12.967 -0.841 1.00 0.00 N ATOM 0 H ASN A 35 11.945 11.803 0.606 1.00 0.00 H new ATOM 0 HA ASN A 35 12.401 13.747 2.793 1.00 0.00 H new ATOM 0 HB2 ASN A 35 12.848 15.277 0.704 1.00 0.00 H new ATOM 0 HB3 ASN A 35 14.110 14.210 1.288 1.00 0.00 H new ATOM 0 HD21 ASN A 35 14.450 12.505 -1.744 1.00 0.00 H new ATOM 0 HD22 ASN A 35 15.110 12.966 -0.171 1.00 0.00 H new ATOM 546 N ASP A 36 9.950 13.470 0.665 1.00 0.00 N ATOM 547 CA ASP A 36 8.598 13.922 0.360 1.00 0.00 C ATOM 548 C ASP A 36 7.561 13.089 1.112 1.00 0.00 C ATOM 549 O ASP A 36 7.242 11.971 0.707 1.00 0.00 O ATOM 550 CB ASP A 36 8.339 13.838 -1.145 1.00 0.00 C ATOM 551 CG ASP A 36 9.151 14.851 -1.928 1.00 0.00 C ATOM 552 OD1 ASP A 36 9.140 16.041 -1.550 1.00 0.00 O ATOM 553 OD2 ASP A 36 9.797 14.455 -2.921 1.00 0.00 O ATOM 0 H ASP A 36 10.237 12.628 0.166 1.00 0.00 H new ATOM 0 HA ASP A 36 8.507 14.959 0.682 1.00 0.00 H new ATOM 0 HB2 ASP A 36 8.578 12.834 -1.497 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.278 13.999 -1.338 1.00 0.00 H new ATOM 558 N PRO A 37 7.017 13.622 2.222 1.00 0.00 N ATOM 559 CA PRO A 37 6.015 12.918 3.025 1.00 0.00 C ATOM 560 C PRO A 37 4.626 12.973 2.396 1.00 0.00 C ATOM 561 O PRO A 37 3.676 13.465 3.006 1.00 0.00 O ATOM 562 CB PRO A 37 6.034 13.684 4.346 1.00 0.00 C ATOM 563 CG PRO A 37 6.408 15.073 3.963 1.00 0.00 C ATOM 564 CD PRO A 37 7.338 14.950 2.784 1.00 0.00 C ATOM 0 HA PRO A 37 6.238 11.856 3.125 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.061 13.655 4.836 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.755 13.256 5.043 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.525 15.656 3.702 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.896 15.587 4.791 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.170 15.744 2.057 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.382 15.014 3.089 1.00 0.00 H new ATOM 572 N GLU A 38 4.513 12.466 1.173 1.00 0.00 N ATOM 573 CA GLU A 38 3.238 12.462 0.466 1.00 0.00 C ATOM 574 C GLU A 38 2.547 11.101 0.586 1.00 0.00 C ATOM 575 O GLU A 38 1.838 10.846 1.560 1.00 0.00 O ATOM 576 CB GLU A 38 3.433 12.847 -1.008 1.00 0.00 C ATOM 577 CG GLU A 38 4.757 12.390 -1.601 1.00 0.00 C ATOM 578 CD GLU A 38 4.681 12.177 -3.101 1.00 0.00 C ATOM 579 OE1 GLU A 38 3.563 11.957 -3.614 1.00 0.00 O ATOM 580 OE2 GLU A 38 5.739 12.229 -3.762 1.00 0.00 O ATOM 0 H GLU A 38 5.287 12.054 0.652 1.00 0.00 H new ATOM 0 HA GLU A 38 2.593 13.207 0.931 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.619 12.421 -1.594 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.360 13.931 -1.102 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.525 13.132 -1.381 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.065 11.461 -1.121 1.00 0.00 H new ATOM 587 N TRP A 39 2.750 10.227 -0.399 1.00 0.00 N ATOM 588 CA TRP A 39 2.137 8.904 -0.381 1.00 0.00 C ATOM 589 C TRP A 39 2.989 7.893 -1.141 1.00 0.00 C ATOM 590 O TRP A 39 3.707 8.250 -2.075 1.00 0.00 O ATOM 591 CB TRP A 39 0.737 8.962 -0.997 1.00 0.00 C ATOM 592 CG TRP A 39 -0.157 9.974 -0.349 1.00 0.00 C ATOM 593 CD1 TRP A 39 -0.886 9.812 0.795 1.00 0.00 C ATOM 594 CD2 TRP A 39 -0.420 11.305 -0.807 1.00 0.00 C ATOM 595 NE1 TRP A 39 -1.585 10.962 1.075 1.00 0.00 N ATOM 596 CE2 TRP A 39 -1.314 11.893 0.107 1.00 0.00 C ATOM 597 CE3 TRP A 39 0.017 12.058 -1.902 1.00 0.00 C ATOM 598 CZ2 TRP A 39 -1.781 13.196 -0.042 1.00 0.00 C ATOM 599 CZ3 TRP A 39 -0.447 13.352 -2.047 1.00 0.00 C ATOM 600 CH2 TRP A 39 -1.337 13.910 -1.122 1.00 0.00 C ATOM 0 H TRP A 39 3.332 10.412 -1.216 1.00 0.00 H new ATOM 0 HA TRP A 39 2.064 8.583 0.658 1.00 0.00 H new ATOM 0 HB2 TRP A 39 0.825 9.193 -2.059 1.00 0.00 H new ATOM 0 HB3 TRP A 39 0.274 7.978 -0.922 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -0.910 8.912 1.392 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -2.205 11.100 1.873 1.00 0.00 H new ATOM 0 HE3 TRP A 39 0.704 11.636 -2.621 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -2.469 13.628 0.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -0.117 13.943 -2.889 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -1.680 14.924 -1.263 1.00 0.00 H new ATOM 611 N TRP A 40 2.891 6.628 -0.746 1.00 0.00 N ATOM 612 CA TRP A 40 3.640 5.566 -1.405 1.00 0.00 C ATOM 613 C TRP A 40 2.713 4.734 -2.288 1.00 0.00 C ATOM 614 O TRP A 40 1.497 4.909 -2.254 1.00 0.00 O ATOM 615 CB TRP A 40 4.350 4.674 -0.381 1.00 0.00 C ATOM 616 CG TRP A 40 3.496 4.285 0.789 1.00 0.00 C ATOM 617 CD1 TRP A 40 2.146 4.108 0.796 1.00 0.00 C ATOM 618 CD2 TRP A 40 3.942 4.025 2.124 1.00 0.00 C ATOM 619 NE1 TRP A 40 1.721 3.745 2.053 1.00 0.00 N ATOM 620 CE2 TRP A 40 2.808 3.690 2.885 1.00 0.00 C ATOM 621 CE3 TRP A 40 5.190 4.040 2.748 1.00 0.00 C ATOM 622 CZ2 TRP A 40 2.890 3.374 4.238 1.00 0.00 C ATOM 623 CZ3 TRP A 40 5.269 3.729 4.091 1.00 0.00 C ATOM 624 CH2 TRP A 40 4.123 3.400 4.822 1.00 0.00 C ATOM 0 H TRP A 40 2.302 6.314 0.025 1.00 0.00 H new ATOM 0 HA TRP A 40 4.402 6.027 -2.033 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.696 3.769 -0.881 1.00 0.00 H new ATOM 0 HB3 TRP A 40 5.235 5.194 -0.014 1.00 0.00 H new ATOM 0 HD1 TRP A 40 1.502 4.234 -0.062 1.00 0.00 H new ATOM 0 HE1 TRP A 40 0.757 3.549 2.321 1.00 0.00 H new ATOM 0 HE3 TRP A 40 6.080 4.291 2.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 2.008 3.117 4.806 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 6.230 3.740 4.584 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.216 3.161 5.871 1.00 0.00 H new ATOM 635 N LYS A 41 3.292 3.843 -3.087 1.00 0.00 N ATOM 636 CA LYS A 41 2.508 3.004 -3.990 1.00 0.00 C ATOM 637 C LYS A 41 2.924 1.547 -3.924 1.00 0.00 C ATOM 638 O LYS A 41 4.109 1.225 -3.904 1.00 0.00 O ATOM 639 CB LYS A 41 2.588 3.502 -5.433 1.00 0.00 C ATOM 640 CG LYS A 41 3.992 3.794 -5.907 1.00 0.00 C ATOM 641 CD LYS A 41 4.675 2.540 -6.408 1.00 0.00 C ATOM 642 CE LYS A 41 4.640 2.406 -7.925 1.00 0.00 C ATOM 643 NZ LYS A 41 3.614 3.280 -8.565 1.00 0.00 N ATOM 0 H LYS A 41 4.298 3.683 -3.128 1.00 0.00 H new ATOM 0 HA LYS A 41 1.474 3.076 -3.652 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.142 2.755 -6.089 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.988 4.407 -5.528 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.962 4.537 -6.704 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.572 4.225 -5.091 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.712 2.540 -6.073 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.196 1.669 -5.961 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.622 2.653 -8.329 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.439 1.367 -8.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.395 2.920 -9.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.749 3.280 -7.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.981 4.250 -8.638 1.00 0.00 H new ATOM 657 N CYS A 42 1.929 0.671 -3.904 1.00 0.00 N ATOM 658 CA CYS A 42 2.166 -0.760 -3.864 1.00 0.00 C ATOM 659 C CYS A 42 1.418 -1.422 -5.011 1.00 0.00 C ATOM 660 O CYS A 42 0.388 -0.916 -5.454 1.00 0.00 O ATOM 661 CB CYS A 42 1.697 -1.364 -2.536 1.00 0.00 C ATOM 662 SG CYS A 42 0.092 -0.757 -1.971 1.00 0.00 S ATOM 0 H CYS A 42 0.943 0.932 -3.915 1.00 0.00 H new ATOM 0 HA CYS A 42 3.238 -0.935 -3.959 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.646 -2.448 -2.641 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.443 -1.152 -1.770 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.737 -1.753 -1.869 1.00 0.00 H new ATOM 668 N LYS A 43 1.922 -2.550 -5.485 1.00 0.00 N ATOM 669 CA LYS A 43 1.273 -3.252 -6.583 1.00 0.00 C ATOM 670 C LYS A 43 0.291 -4.283 -6.045 1.00 0.00 C ATOM 671 O LYS A 43 0.620 -5.072 -5.158 1.00 0.00 O ATOM 672 CB LYS A 43 2.316 -3.935 -7.471 1.00 0.00 C ATOM 673 CG LYS A 43 3.302 -4.798 -6.699 1.00 0.00 C ATOM 674 CD LYS A 43 4.178 -5.615 -7.634 1.00 0.00 C ATOM 675 CE LYS A 43 5.269 -4.762 -8.264 1.00 0.00 C ATOM 676 NZ LYS A 43 4.746 -3.922 -9.376 1.00 0.00 N ATOM 0 H LYS A 43 2.769 -2.996 -5.132 1.00 0.00 H new ATOM 0 HA LYS A 43 0.726 -2.524 -7.182 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.804 -4.554 -8.208 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.867 -3.173 -8.022 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.929 -4.164 -6.072 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.758 -5.466 -6.032 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.632 -6.438 -7.082 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.562 -6.057 -8.417 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.713 -4.121 -7.503 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.063 -5.408 -8.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.388 -3.987 -10.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.801 -4.259 -9.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.683 -2.932 -9.063 1.00 0.00 H new ATOM 690 N ASN A 44 -0.925 -4.254 -6.581 1.00 0.00 N ATOM 691 CA ASN A 44 -1.972 -5.164 -6.156 1.00 0.00 C ATOM 692 C ASN A 44 -2.245 -6.191 -7.232 1.00 0.00 C ATOM 693 O ASN A 44 -1.693 -6.118 -8.330 1.00 0.00 O ATOM 694 CB ASN A 44 -3.254 -4.388 -5.846 1.00 0.00 C ATOM 695 CG ASN A 44 -4.088 -5.054 -4.769 1.00 0.00 C ATOM 696 OD1 ASN A 44 -4.842 -5.988 -5.041 1.00 0.00 O ATOM 697 ND2 ASN A 44 -3.955 -4.576 -3.538 1.00 0.00 N ATOM 0 H ASN A 44 -1.206 -3.604 -7.315 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.638 -5.676 -5.254 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.996 -3.378 -5.529 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.848 -4.295 -6.755 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -4.490 -4.985 -2.772 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -3.318 -3.800 -3.358 1.00 0.00 H new ATOM 704 N ALA A 45 -3.103 -7.144 -6.918 1.00 0.00 N ATOM 705 CA ALA A 45 -3.447 -8.176 -7.873 1.00 0.00 C ATOM 706 C ALA A 45 -4.449 -7.662 -8.905 1.00 0.00 C ATOM 707 O ALA A 45 -4.897 -8.411 -9.773 1.00 0.00 O ATOM 708 CB ALA A 45 -3.991 -9.401 -7.156 1.00 0.00 C ATOM 0 H ALA A 45 -3.571 -7.223 -6.015 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.540 -8.461 -8.406 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.245 -10.168 -7.888 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.235 -9.788 -6.472 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.883 -9.127 -6.593 1.00 0.00 H new ATOM 714 N ARG A 46 -4.789 -6.376 -8.814 1.00 0.00 N ATOM 715 CA ARG A 46 -5.724 -5.767 -9.745 1.00 0.00 C ATOM 716 C ARG A 46 -4.996 -5.330 -11.025 1.00 0.00 C ATOM 717 O ARG A 46 -5.628 -4.928 -12.003 1.00 0.00 O ATOM 718 CB ARG A 46 -6.457 -4.605 -9.053 1.00 0.00 C ATOM 719 CG ARG A 46 -6.516 -3.320 -9.853 1.00 0.00 C ATOM 720 CD ARG A 46 -7.549 -2.351 -9.295 1.00 0.00 C ATOM 721 NE ARG A 46 -8.788 -3.024 -8.907 1.00 0.00 N ATOM 722 CZ ARG A 46 -9.760 -3.342 -9.760 1.00 0.00 C ATOM 723 NH1 ARG A 46 -9.643 -3.054 -11.050 1.00 0.00 N ATOM 724 NH2 ARG A 46 -10.852 -3.952 -9.320 1.00 0.00 N ATOM 0 H ARG A 46 -4.428 -5.740 -8.103 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.476 -6.496 -10.047 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.475 -4.921 -8.826 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.967 -4.401 -8.101 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.535 -2.846 -9.851 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.757 -3.549 -10.891 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.131 -1.836 -8.430 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.771 -1.589 -10.042 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.915 -3.264 -7.924 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.805 -2.586 -11.394 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.392 -3.301 -11.698 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.947 -4.177 -8.330 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.597 -4.196 -9.972 1.00 0.00 H new ATOM 738 N GLY A 47 -3.665 -5.451 -11.024 1.00 0.00 N ATOM 739 CA GLY A 47 -2.880 -5.103 -12.197 1.00 0.00 C ATOM 740 C GLY A 47 -2.314 -3.695 -12.160 1.00 0.00 C ATOM 741 O GLY A 47 -1.284 -3.421 -12.776 1.00 0.00 O ATOM 0 H GLY A 47 -3.119 -5.784 -10.229 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.058 -5.812 -12.296 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.503 -5.211 -13.085 1.00 0.00 H new ATOM 745 N GLN A 48 -2.993 -2.798 -11.460 1.00 0.00 N ATOM 746 CA GLN A 48 -2.555 -1.409 -11.372 1.00 0.00 C ATOM 747 C GLN A 48 -2.222 -1.002 -9.945 1.00 0.00 C ATOM 748 O GLN A 48 -2.945 -1.343 -9.012 1.00 0.00 O ATOM 749 CB GLN A 48 -3.635 -0.473 -11.910 1.00 0.00 C ATOM 750 CG GLN A 48 -3.398 -0.016 -13.340 1.00 0.00 C ATOM 751 CD GLN A 48 -2.018 0.581 -13.542 1.00 0.00 C ATOM 752 OE1 GLN A 48 -1.778 1.744 -13.218 1.00 0.00 O ATOM 753 NE2 GLN A 48 -1.103 -0.214 -14.083 1.00 0.00 N ATOM 0 H GLN A 48 -3.849 -3.005 -10.945 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.651 -1.327 -11.975 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.599 -0.978 -11.856 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.697 0.403 -11.265 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.525 -0.863 -14.014 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -4.152 0.723 -13.611 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.345 -1.172 -14.337 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.158 0.133 -14.245 1.00 0.00 H new ATOM 762 N VAL A 49 -1.138 -0.247 -9.785 1.00 0.00 N ATOM 763 CA VAL A 49 -0.742 0.239 -8.469 1.00 0.00 C ATOM 764 C VAL A 49 -1.073 1.717 -8.337 1.00 0.00 C ATOM 765 O VAL A 49 -0.978 2.474 -9.303 1.00 0.00 O ATOM 766 CB VAL A 49 0.771 0.081 -8.182 1.00 0.00 C ATOM 767 CG1 VAL A 49 1.387 -1.052 -8.973 1.00 0.00 C ATOM 768 CG2 VAL A 49 1.503 1.386 -8.454 1.00 0.00 C ATOM 0 H VAL A 49 -0.522 0.039 -10.546 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.295 -0.370 -7.754 1.00 0.00 H new ATOM 0 HB VAL A 49 0.877 -0.170 -7.127 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.449 -1.124 -8.739 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.893 -1.988 -8.712 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.263 -0.861 -10.039 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.565 1.257 -8.247 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.368 1.668 -9.498 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.101 2.170 -7.812 1.00 0.00 H new ATOM 778 N GLY A 50 -1.418 2.127 -7.132 1.00 0.00 N ATOM 779 CA GLY A 50 -1.709 3.518 -6.888 1.00 0.00 C ATOM 780 C GLY A 50 -1.014 4.020 -5.649 1.00 0.00 C ATOM 781 O GLY A 50 -0.036 3.430 -5.200 1.00 0.00 O ATOM 0 H GLY A 50 -1.502 1.520 -6.316 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.397 4.112 -7.747 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.785 3.652 -6.782 1.00 0.00 H new ATOM 785 N LEU A 51 -1.514 5.107 -5.095 1.00 0.00 N ATOM 786 CA LEU A 51 -0.921 5.684 -3.898 1.00 0.00 C ATOM 787 C LEU A 51 -1.774 5.395 -2.670 1.00 0.00 C ATOM 788 O LEU A 51 -2.941 5.777 -2.603 1.00 0.00 O ATOM 789 CB LEU A 51 -0.721 7.190 -4.079 1.00 0.00 C ATOM 790 CG LEU A 51 0.715 7.633 -4.401 1.00 0.00 C ATOM 791 CD1 LEU A 51 1.433 6.606 -5.263 1.00 0.00 C ATOM 792 CD2 LEU A 51 0.703 8.987 -5.091 1.00 0.00 C ATOM 0 H LEU A 51 -2.327 5.610 -5.451 1.00 0.00 H new ATOM 0 HA LEU A 51 0.053 5.221 -3.741 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.376 7.532 -4.880 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.042 7.694 -3.167 1.00 0.00 H new ATOM 0 HG LEU A 51 1.260 7.717 -3.461 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.446 6.951 -5.472 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.476 5.654 -4.735 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.893 6.477 -6.201 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.726 9.291 -5.314 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.134 8.918 -6.018 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.240 9.725 -4.436 1.00 0.00 H new ATOM 804 N VAL A 52 -1.174 4.712 -1.704 1.00 0.00 N ATOM 805 CA VAL A 52 -1.867 4.355 -0.470 1.00 0.00 C ATOM 806 C VAL A 52 -1.474 5.281 0.680 1.00 0.00 C ATOM 807 O VAL A 52 -0.310 5.651 0.829 1.00 0.00 O ATOM 808 CB VAL A 52 -1.594 2.881 -0.055 1.00 0.00 C ATOM 809 CG1 VAL A 52 -0.138 2.499 -0.280 1.00 0.00 C ATOM 810 CG2 VAL A 52 -1.988 2.625 1.403 1.00 0.00 C ATOM 0 H VAL A 52 -0.206 4.393 -1.750 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.932 4.469 -0.674 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.216 2.253 -0.693 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.017 1.463 0.021 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.109 2.611 -1.336 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.505 3.149 0.314 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.783 1.585 1.658 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.411 3.279 2.056 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.051 2.828 1.534 1.00 0.00 H new ATOM 820 N PRO A 53 -2.453 5.639 1.526 1.00 0.00 N ATOM 821 CA PRO A 53 -2.233 6.497 2.699 1.00 0.00 C ATOM 822 C PRO A 53 -1.449 5.764 3.779 1.00 0.00 C ATOM 823 O PRO A 53 -1.982 4.893 4.466 1.00 0.00 O ATOM 824 CB PRO A 53 -3.653 6.768 3.187 1.00 0.00 C ATOM 825 CG PRO A 53 -4.371 5.531 2.801 1.00 0.00 C ATOM 826 CD PRO A 53 -3.862 5.214 1.433 1.00 0.00 C ATOM 0 HA PRO A 53 -1.661 7.395 2.465 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -3.686 6.936 4.263 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -4.083 7.650 2.713 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -4.166 4.719 3.499 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -5.450 5.683 2.797 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.954 4.153 1.199 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.403 5.759 0.660 1.00 0.00 H new ATOM 834 N LYS A 54 -0.183 6.110 3.912 1.00 0.00 N ATOM 835 CA LYS A 54 0.687 5.479 4.895 1.00 0.00 C ATOM 836 C LYS A 54 0.132 5.579 6.312 1.00 0.00 C ATOM 837 O LYS A 54 0.504 4.798 7.188 1.00 0.00 O ATOM 838 CB LYS A 54 2.049 6.130 4.847 1.00 0.00 C ATOM 839 CG LYS A 54 1.968 7.634 4.934 1.00 0.00 C ATOM 840 CD LYS A 54 2.487 8.146 6.267 1.00 0.00 C ATOM 841 CE LYS A 54 2.494 9.665 6.316 1.00 0.00 C ATOM 842 NZ LYS A 54 3.675 10.191 7.055 1.00 0.00 N ATOM 0 H LYS A 54 0.271 6.829 3.349 1.00 0.00 H new ATOM 0 HA LYS A 54 0.755 4.421 4.642 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.659 5.753 5.668 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.552 5.848 3.922 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.546 8.078 4.123 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.934 7.952 4.799 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.865 7.758 7.074 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.497 7.771 6.434 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.495 10.061 5.300 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.580 10.017 6.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.643 11.230 7.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.661 9.834 8.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.547 9.877 6.584 1.00 0.00 H new ATOM 856 N ASN A 55 -0.745 6.545 6.533 1.00 0.00 N ATOM 857 CA ASN A 55 -1.337 6.752 7.849 1.00 0.00 C ATOM 858 C ASN A 55 -2.408 5.712 8.143 1.00 0.00 C ATOM 859 O ASN A 55 -2.901 5.615 9.267 1.00 0.00 O ATOM 860 CB ASN A 55 -1.945 8.149 7.939 1.00 0.00 C ATOM 861 CG ASN A 55 -1.711 8.798 9.290 1.00 0.00 C ATOM 862 OD1 ASN A 55 -0.586 8.836 9.787 1.00 0.00 O ATOM 863 ND2 ASN A 55 -2.778 9.312 9.891 1.00 0.00 N ATOM 0 H ASN A 55 -1.064 7.200 5.819 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.544 6.650 8.590 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.518 8.779 7.158 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.017 8.088 7.749 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.683 9.761 10.802 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.692 9.258 9.442 1.00 0.00 H new ATOM 870 N TYR A 56 -2.770 4.937 7.129 1.00 0.00 N ATOM 871 CA TYR A 56 -3.787 3.909 7.285 1.00 0.00 C ATOM 872 C TYR A 56 -3.166 2.524 7.203 1.00 0.00 C ATOM 873 O TYR A 56 -3.861 1.546 6.934 1.00 0.00 O ATOM 874 CB TYR A 56 -4.854 4.042 6.193 1.00 0.00 C ATOM 875 CG TYR A 56 -5.536 5.393 6.134 1.00 0.00 C ATOM 876 CD1 TYR A 56 -5.396 6.322 7.157 1.00 0.00 C ATOM 877 CD2 TYR A 56 -6.333 5.732 5.049 1.00 0.00 C ATOM 878 CE1 TYR A 56 -6.030 7.548 7.100 1.00 0.00 C ATOM 879 CE2 TYR A 56 -6.969 6.956 4.982 1.00 0.00 C ATOM 880 CZ TYR A 56 -6.816 7.861 6.010 1.00 0.00 C ATOM 881 OH TYR A 56 -7.449 9.081 5.949 1.00 0.00 O ATOM 0 H TYR A 56 -2.374 5.002 6.191 1.00 0.00 H new ATOM 0 HA TYR A 56 -4.248 4.041 8.264 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.392 3.841 5.226 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -5.612 3.274 6.349 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -4.781 6.082 8.012 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -6.458 5.025 4.242 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -5.911 8.258 7.905 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -7.583 7.203 4.128 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.961 9.142 5.116 1.00 0.00 H new ATOM 891 N VAL A 57 -1.852 2.448 7.398 1.00 0.00 N ATOM 892 CA VAL A 57 -1.151 1.169 7.314 1.00 0.00 C ATOM 893 C VAL A 57 0.082 1.120 8.220 1.00 0.00 C ATOM 894 O VAL A 57 0.454 2.112 8.847 1.00 0.00 O ATOM 895 CB VAL A 57 -0.729 0.869 5.851 1.00 0.00 C ATOM 896 CG1 VAL A 57 -1.641 1.585 4.863 1.00 0.00 C ATOM 897 CG2 VAL A 57 0.718 1.269 5.603 1.00 0.00 C ATOM 0 H VAL A 57 -1.256 3.247 7.613 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.851 0.407 7.658 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.822 -0.206 5.699 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.324 1.358 3.845 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.668 1.249 5.007 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.585 2.661 5.029 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.985 1.047 4.570 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.837 2.337 5.787 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.370 0.710 6.274 1.00 0.00 H new ATOM 907 N VAL A 58 0.726 -0.044 8.238 1.00 0.00 N ATOM 908 CA VAL A 58 1.946 -0.259 9.010 1.00 0.00 C ATOM 909 C VAL A 58 2.948 -1.030 8.152 1.00 0.00 C ATOM 910 O VAL A 58 2.665 -2.138 7.701 1.00 0.00 O ATOM 911 CB VAL A 58 1.676 -1.023 10.324 1.00 0.00 C ATOM 912 CG1 VAL A 58 1.032 -2.371 10.048 1.00 0.00 C ATOM 913 CG2 VAL A 58 2.962 -1.192 11.120 1.00 0.00 C ATOM 0 H VAL A 58 0.416 -0.865 7.718 1.00 0.00 H new ATOM 0 HA VAL A 58 2.352 0.715 9.283 1.00 0.00 H new ATOM 0 HB VAL A 58 0.979 -0.434 10.920 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.853 -2.888 10.990 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.085 -2.222 9.530 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.696 -2.971 9.426 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.751 -1.733 12.042 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.685 -1.753 10.528 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.373 -0.211 11.360 1.00 0.00 H new ATOM 923 N VAL A 59 4.097 -0.416 7.887 1.00 0.00 N ATOM 924 CA VAL A 59 5.118 -1.019 7.030 1.00 0.00 C ATOM 925 C VAL A 59 5.740 -2.285 7.603 1.00 0.00 C ATOM 926 O VAL A 59 5.909 -2.438 8.813 1.00 0.00 O ATOM 927 CB VAL A 59 6.248 -0.034 6.687 1.00 0.00 C ATOM 928 CG1 VAL A 59 7.159 -0.631 5.620 1.00 0.00 C ATOM 929 CG2 VAL A 59 5.671 1.289 6.219 1.00 0.00 C ATOM 0 H VAL A 59 4.347 0.502 8.254 1.00 0.00 H new ATOM 0 HA VAL A 59 4.573 -1.290 6.126 1.00 0.00 H new ATOM 0 HB VAL A 59 6.839 0.149 7.584 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.955 0.075 5.385 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.594 -1.559 5.991 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.579 -0.837 4.720 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.483 1.976 5.980 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.060 1.126 5.331 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.055 1.717 7.009 1.00 0.00 H new ATOM 939 N LEU A 60 6.092 -3.175 6.683 1.00 0.00 N ATOM 940 CA LEU A 60 6.720 -4.437 6.983 1.00 0.00 C ATOM 941 C LEU A 60 8.174 -4.392 6.524 1.00 0.00 C ATOM 942 O LEU A 60 8.574 -3.523 5.751 1.00 0.00 O ATOM 943 CB LEU A 60 5.975 -5.581 6.281 1.00 0.00 C ATOM 944 CG LEU A 60 5.396 -6.659 7.204 1.00 0.00 C ATOM 945 CD1 LEU A 60 4.708 -6.032 8.408 1.00 0.00 C ATOM 946 CD2 LEU A 60 4.424 -7.542 6.436 1.00 0.00 C ATOM 0 H LEU A 60 5.941 -3.027 5.685 1.00 0.00 H new ATOM 0 HA LEU A 60 6.684 -4.615 8.058 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.161 -5.155 5.695 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.658 -6.058 5.578 1.00 0.00 H new ATOM 0 HG LEU A 60 6.218 -7.275 7.568 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.306 -6.818 9.047 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.429 -5.440 8.971 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.896 -5.389 8.069 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.020 -8.304 7.103 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.609 -6.932 6.045 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.946 -8.024 5.609 1.00 0.00 H new ATOM 958 N SER A 61 8.949 -5.325 7.014 1.00 0.00 N ATOM 959 CA SER A 61 10.366 -5.414 6.677 1.00 0.00 C ATOM 960 C SER A 61 10.958 -6.733 7.163 1.00 0.00 C ATOM 961 O SER A 61 10.284 -7.430 7.949 1.00 0.00 O ATOM 962 CB SER A 61 11.132 -4.241 7.289 1.00 0.00 C ATOM 963 OG SER A 61 10.930 -4.176 8.691 1.00 0.00 O ATOM 964 OXT SER A 61 12.093 -7.057 6.754 1.00 0.00 O ATOM 0 H SER A 61 8.627 -6.048 7.657 1.00 0.00 H new ATOM 0 HA SER A 61 10.460 -5.372 5.592 1.00 0.00 H new ATOM 0 HB2 SER A 61 12.196 -4.347 7.076 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.806 -3.309 6.828 1.00 0.00 H new ATOM 0 HG SER A 61 11.432 -3.419 9.059 1.00 0.00 H new