USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 522 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 55 THR OG1 : rot 107:sc= 0.307 USER MOD Set 1.2: A 57 SER OG : rot -115:sc= 1.15 USER MOD Set 2.1: A 7 THR OG1 : rot -119:sc= 0.273 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.513 USER MOD Single : A 1 MET CE :methyl -171:sc= 0 (180deg=-0.0917) USER MOD Single : A 1 MET N :NH3+ -154:sc= 1.23 (180deg=0.879) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -10:sc= 0.25 USER MOD Single : A 14 THR OG1 : rot -36:sc= 0.31 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -1.38! K(o=-1.4!,f=-0.023) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -15.2! C(o=-15!,f=-23!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -5.6! C(o=-5.6!,f=-6!) USER MOD Single : A 41 GLN : amide:sc= -0.973 X(o=-0.97,f=-0.75) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.00138 X(o=-0.0014,f=0) USER MOD Single : A 59 TYR OH : rot 99:sc= 0.992 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.0214 X(o=-0.021,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 150:sc=-0.000206 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0468 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.566 -6.783 10.649 1.00 0.00 N ATOM 2 CA MET A 1 -2.136 -6.949 10.450 1.00 0.00 C ATOM 3 C MET A 1 -1.412 -5.603 10.528 1.00 0.00 C ATOM 4 O MET A 1 -2.041 -4.568 10.741 1.00 0.00 O ATOM 5 CB MET A 1 -1.880 -7.588 9.083 1.00 0.00 C ATOM 6 CG MET A 1 -0.810 -8.677 9.179 1.00 0.00 C ATOM 7 SD MET A 1 -1.536 -10.276 8.857 1.00 0.00 S ATOM 8 CE MET A 1 -2.549 -10.457 10.314 1.00 0.00 C ATOM 0 H1 MET A 1 -3.969 -7.665 11.025 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.735 -6.010 11.323 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.019 -6.556 9.741 1.00 0.00 H new ATOM 0 HA MET A 1 -1.751 -7.594 11.240 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.806 -8.016 8.698 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.563 -6.823 8.374 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.013 -8.479 8.462 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.357 -8.667 10.170 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.950 -11.470 10.355 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.946 -10.270 11.202 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.371 -9.742 10.277 1.00 0.00 H new ATOM 16 N GLN A 2 -0.100 -5.661 10.349 1.00 0.00 N ATOM 17 CA GLN A 2 0.715 -4.459 10.396 1.00 0.00 C ATOM 18 C GLN A 2 1.897 -4.583 9.433 1.00 0.00 C ATOM 19 O GLN A 2 2.849 -5.313 9.703 1.00 0.00 O ATOM 20 CB GLN A 2 1.195 -4.178 11.821 1.00 0.00 C ATOM 21 CG GLN A 2 1.050 -2.695 12.166 1.00 0.00 C ATOM 22 CD GLN A 2 1.229 -2.461 13.667 1.00 0.00 C ATOM 23 OE1 GLN A 2 0.280 -2.427 14.434 1.00 0.00 O ATOM 24 NE2 GLN A 2 2.494 -2.301 14.043 1.00 0.00 N ATOM 0 H GLN A 2 0.418 -6.521 10.171 1.00 0.00 H new ATOM 0 HA GLN A 2 0.102 -3.614 10.082 1.00 0.00 H new ATOM 0 HB2 GLN A 2 0.620 -4.777 12.527 1.00 0.00 H new ATOM 0 HB3 GLN A 2 2.238 -4.479 11.923 1.00 0.00 H new ATOM 0 HG2 GLN A 2 1.789 -2.115 11.613 1.00 0.00 H new ATOM 0 HG3 GLN A 2 0.068 -2.340 11.854 1.00 0.00 H new ATOM 0 HE21 GLN A 2 3.241 -2.341 13.350 1.00 0.00 H new ATOM 0 HE22 GLN A 2 2.718 -2.138 15.025 1.00 0.00 H new ATOM 31 N ILE A 3 1.799 -3.856 8.328 1.00 0.00 N ATOM 32 CA ILE A 3 2.848 -3.875 7.324 1.00 0.00 C ATOM 33 C ILE A 3 3.429 -2.467 7.173 1.00 0.00 C ATOM 34 O ILE A 3 3.116 -1.576 7.961 1.00 0.00 O ATOM 35 CB ILE A 3 2.325 -4.468 6.015 1.00 0.00 C ATOM 36 CG1 ILE A 3 1.092 -3.707 5.521 1.00 0.00 C ATOM 37 CG2 ILE A 3 2.053 -5.967 6.161 1.00 0.00 C ATOM 38 CD1 ILE A 3 0.862 -3.947 4.027 1.00 0.00 C ATOM 0 H ILE A 3 1.009 -3.250 8.107 1.00 0.00 H new ATOM 0 HA ILE A 3 3.665 -4.525 7.638 1.00 0.00 H new ATOM 0 HB ILE A 3 3.099 -4.354 5.256 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.214 -4.025 6.084 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.220 -2.641 5.706 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.682 -6.363 5.216 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.976 -6.480 6.432 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.307 -6.127 6.939 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.020 -3.395 3.701 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.732 -3.605 3.466 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.710 -5.012 3.849 1.00 0.00 H new ATOM 49 N PHE A 4 4.262 -2.312 6.155 1.00 0.00 N ATOM 50 CA PHE A 4 4.890 -1.028 5.891 1.00 0.00 C ATOM 51 C PHE A 4 4.891 -0.716 4.394 1.00 0.00 C ATOM 52 O PHE A 4 4.866 -1.626 3.566 1.00 0.00 O ATOM 53 CB PHE A 4 6.336 -1.128 6.380 1.00 0.00 C ATOM 54 CG PHE A 4 6.473 -1.627 7.820 1.00 0.00 C ATOM 55 CD1 PHE A 4 6.089 -0.833 8.854 1.00 0.00 C ATOM 56 CD2 PHE A 4 6.979 -2.866 8.064 1.00 0.00 C ATOM 57 CE1 PHE A 4 6.217 -1.296 10.191 1.00 0.00 C ATOM 58 CE2 PHE A 4 7.107 -3.329 9.400 1.00 0.00 C ATOM 59 CZ PHE A 4 6.723 -2.535 10.436 1.00 0.00 C ATOM 0 H PHE A 4 4.517 -3.054 5.503 1.00 0.00 H new ATOM 0 HA PHE A 4 4.343 -0.235 6.400 1.00 0.00 H new ATOM 0 HB2 PHE A 4 6.886 -1.799 5.720 1.00 0.00 H new ATOM 0 HB3 PHE A 4 6.804 -0.147 6.300 1.00 0.00 H new ATOM 0 HD1 PHE A 4 5.686 0.150 8.659 1.00 0.00 H new ATOM 0 HD2 PHE A 4 7.283 -3.497 7.242 1.00 0.00 H new ATOM 0 HE1 PHE A 4 5.913 -0.665 11.013 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.509 -4.312 9.594 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.820 -2.888 11.452 1.00 0.00 H new ATOM 68 N VAL A 5 4.919 0.573 4.089 1.00 0.00 N ATOM 69 CA VAL A 5 4.923 1.016 2.706 1.00 0.00 C ATOM 70 C VAL A 5 6.050 2.030 2.503 1.00 0.00 C ATOM 71 O VAL A 5 6.344 2.824 3.396 1.00 0.00 O ATOM 72 CB VAL A 5 3.546 1.569 2.329 1.00 0.00 C ATOM 73 CG1 VAL A 5 3.519 2.023 0.869 1.00 0.00 C ATOM 74 CG2 VAL A 5 2.448 0.540 2.606 1.00 0.00 C ATOM 0 H VAL A 5 4.939 1.325 4.777 1.00 0.00 H new ATOM 0 HA VAL A 5 5.116 0.177 2.037 1.00 0.00 H new ATOM 0 HB VAL A 5 3.352 2.441 2.953 1.00 0.00 H new ATOM 0 HG11 VAL A 5 2.530 2.411 0.627 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.263 2.805 0.717 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.745 1.177 0.221 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.480 0.958 2.330 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.636 -0.359 2.020 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.445 0.288 3.666 1.00 0.00 H new ATOM 84 N LYS A 6 6.652 1.971 1.324 1.00 0.00 N ATOM 85 CA LYS A 6 7.741 2.873 0.993 1.00 0.00 C ATOM 86 C LYS A 6 7.217 3.985 0.081 1.00 0.00 C ATOM 87 O LYS A 6 6.042 4.345 0.148 1.00 0.00 O ATOM 88 CB LYS A 6 8.919 2.098 0.402 1.00 0.00 C ATOM 89 CG LYS A 6 10.252 2.658 0.903 1.00 0.00 C ATOM 90 CD LYS A 6 11.119 1.553 1.507 1.00 0.00 C ATOM 91 CE LYS A 6 12.466 1.457 0.786 1.00 0.00 C ATOM 92 NZ LYS A 6 13.472 0.803 1.652 1.00 0.00 N ATOM 0 H LYS A 6 6.406 1.312 0.586 1.00 0.00 H new ATOM 0 HA LYS A 6 8.125 3.352 1.894 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.838 1.045 0.672 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.884 2.151 -0.686 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.784 3.133 0.078 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.068 3.430 1.650 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.283 1.752 2.566 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.597 0.598 1.439 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.351 0.891 -0.139 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.809 2.454 0.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.380 0.746 1.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.594 1.358 2.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.150 -0.156 1.895 1.00 0.00 H new ATOM 102 N THR A 7 8.112 4.496 -0.750 1.00 0.00 N ATOM 103 CA THR A 7 7.755 5.559 -1.675 1.00 0.00 C ATOM 104 C THR A 7 9.008 6.135 -2.335 1.00 0.00 C ATOM 105 O THR A 7 10.127 5.820 -1.934 1.00 0.00 O ATOM 106 CB THR A 7 6.940 6.601 -0.904 1.00 0.00 C ATOM 107 OG1 THR A 7 7.342 7.845 -1.472 1.00 0.00 O ATOM 108 CG2 THR A 7 7.362 6.707 0.562 1.00 0.00 C ATOM 0 H THR A 7 9.085 4.194 -0.803 1.00 0.00 H new ATOM 0 HA THR A 7 7.140 5.183 -2.492 1.00 0.00 H new ATOM 0 HB THR A 7 5.881 6.347 -0.959 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.752 8.404 -0.779 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.753 7.460 1.062 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.222 5.743 1.051 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.412 6.994 0.619 1.00 0.00 H new ATOM 116 N LEU A 8 8.779 6.970 -3.339 1.00 0.00 N ATOM 117 CA LEU A 8 9.876 7.592 -4.060 1.00 0.00 C ATOM 118 C LEU A 8 10.746 8.376 -3.076 1.00 0.00 C ATOM 119 O LEU A 8 11.892 8.704 -3.381 1.00 0.00 O ATOM 120 CB LEU A 8 9.343 8.437 -5.219 1.00 0.00 C ATOM 121 CG LEU A 8 9.791 9.901 -5.243 1.00 0.00 C ATOM 122 CD1 LEU A 8 11.203 10.032 -5.819 1.00 0.00 C ATOM 123 CD2 LEU A 8 8.782 10.770 -5.994 1.00 0.00 C ATOM 0 H LEU A 8 7.850 7.230 -3.670 1.00 0.00 H new ATOM 0 HA LEU A 8 10.513 6.834 -4.515 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.649 7.969 -6.155 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.254 8.411 -5.191 1.00 0.00 H new ATOM 0 HG LEU A 8 9.827 10.265 -4.216 1.00 0.00 H new ATOM 0 HD11 LEU A 8 11.498 11.081 -5.825 1.00 0.00 H new ATOM 0 HD12 LEU A 8 11.901 9.463 -5.205 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.218 9.645 -6.838 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.124 11.805 -5.996 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.690 10.416 -7.021 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.812 10.710 -5.501 1.00 0.00 H new ATOM 134 N THR A 9 10.170 8.655 -1.917 1.00 0.00 N ATOM 135 CA THR A 9 10.880 9.394 -0.886 1.00 0.00 C ATOM 136 C THR A 9 11.615 8.433 0.050 1.00 0.00 C ATOM 137 O THR A 9 12.503 8.844 0.795 1.00 0.00 O ATOM 138 CB THR A 9 9.869 10.289 -0.165 1.00 0.00 C ATOM 139 OG1 THR A 9 8.938 9.373 0.404 1.00 0.00 O ATOM 140 CG2 THR A 9 9.027 11.120 -1.135 1.00 0.00 C ATOM 0 H THR A 9 9.219 8.383 -1.668 1.00 0.00 H new ATOM 0 HA THR A 9 11.652 10.031 -1.318 1.00 0.00 H new ATOM 0 HB THR A 9 10.396 10.953 0.520 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.248 9.869 0.892 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.326 11.737 -0.572 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.680 11.761 -1.727 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.473 10.455 -1.798 1.00 0.00 H new ATOM 148 N GLY A 10 11.219 7.171 -0.020 1.00 0.00 N ATOM 149 CA GLY A 10 11.829 6.147 0.811 1.00 0.00 C ATOM 150 C GLY A 10 11.475 6.356 2.285 1.00 0.00 C ATOM 151 O GLY A 10 12.274 6.896 3.048 1.00 0.00 O ATOM 0 H GLY A 10 10.483 6.834 -0.640 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.491 5.162 0.488 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.912 6.169 0.686 1.00 0.00 H new ATOM 155 N LYS A 11 10.277 5.915 2.641 1.00 0.00 N ATOM 156 CA LYS A 11 9.808 6.047 4.010 1.00 0.00 C ATOM 157 C LYS A 11 9.132 4.744 4.440 1.00 0.00 C ATOM 158 O LYS A 11 9.233 3.731 3.749 1.00 0.00 O ATOM 159 CB LYS A 11 8.914 7.281 4.154 1.00 0.00 C ATOM 160 CG LYS A 11 9.714 8.481 4.663 1.00 0.00 C ATOM 161 CD LYS A 11 8.870 9.343 5.604 1.00 0.00 C ATOM 162 CE LYS A 11 9.460 10.749 5.737 1.00 0.00 C ATOM 163 NZ LYS A 11 8.783 11.494 6.822 1.00 0.00 N ATOM 0 H LYS A 11 9.617 5.466 2.005 1.00 0.00 H new ATOM 0 HA LYS A 11 10.647 6.210 4.686 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.463 7.522 3.191 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.098 7.065 4.843 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.606 8.133 5.184 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.052 9.082 3.819 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.849 9.407 5.227 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.818 8.872 6.586 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.528 10.684 5.944 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.350 11.287 4.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.195 12.446 6.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.768 11.572 6.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.909 10.988 7.722 1.00 0.00 H new ATOM 173 N THR A 12 8.459 4.811 5.579 1.00 0.00 N ATOM 174 CA THR A 12 7.767 3.649 6.109 1.00 0.00 C ATOM 175 C THR A 12 6.530 4.081 6.901 1.00 0.00 C ATOM 176 O THR A 12 6.622 4.920 7.795 1.00 0.00 O ATOM 177 CB THR A 12 8.766 2.841 6.938 1.00 0.00 C ATOM 178 OG1 THR A 12 9.715 2.377 5.982 1.00 0.00 O ATOM 179 CG2 THR A 12 8.154 1.560 7.508 1.00 0.00 C ATOM 0 H THR A 12 8.378 5.652 6.150 1.00 0.00 H new ATOM 0 HA THR A 12 7.396 3.010 5.308 1.00 0.00 H new ATOM 0 HB THR A 12 9.142 3.457 7.754 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.384 2.559 5.078 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.906 1.024 8.088 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.312 1.814 8.152 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.808 0.927 6.691 1.00 0.00 H new ATOM 187 N ILE A 13 5.402 3.487 6.542 1.00 0.00 N ATOM 188 CA ILE A 13 4.148 3.799 7.208 1.00 0.00 C ATOM 189 C ILE A 13 3.507 2.504 7.712 1.00 0.00 C ATOM 190 O ILE A 13 3.317 1.561 6.946 1.00 0.00 O ATOM 191 CB ILE A 13 3.240 4.615 6.285 1.00 0.00 C ATOM 192 CG1 ILE A 13 3.118 3.952 4.910 1.00 0.00 C ATOM 193 CG2 ILE A 13 3.721 6.063 6.182 1.00 0.00 C ATOM 194 CD1 ILE A 13 2.071 2.837 4.929 1.00 0.00 C ATOM 0 H ILE A 13 5.329 2.792 5.799 1.00 0.00 H new ATOM 0 HA ILE A 13 4.326 4.428 8.080 1.00 0.00 H new ATOM 0 HB ILE A 13 2.242 4.638 6.722 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.845 4.699 4.165 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.084 3.544 4.612 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.058 6.620 5.520 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.714 6.520 7.172 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.734 6.082 5.781 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.005 2.383 3.940 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.360 2.079 5.657 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.101 3.253 5.203 1.00 0.00 H new ATOM 205 N THR A 14 3.192 2.500 9.000 1.00 0.00 N ATOM 206 CA THR A 14 2.578 1.337 9.616 1.00 0.00 C ATOM 207 C THR A 14 1.081 1.293 9.297 1.00 0.00 C ATOM 208 O THR A 14 0.296 2.034 9.884 1.00 0.00 O ATOM 209 CB THR A 14 2.878 1.382 11.116 1.00 0.00 C ATOM 210 OG1 THR A 14 4.219 0.911 11.215 1.00 0.00 O ATOM 211 CG2 THR A 14 2.063 0.358 11.907 1.00 0.00 C ATOM 0 H THR A 14 3.351 3.284 9.633 1.00 0.00 H new ATOM 0 HA THR A 14 2.992 0.412 9.215 1.00 0.00 H new ATOM 0 HB THR A 14 2.672 2.382 11.498 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.368 0.206 10.551 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.314 0.432 12.965 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.000 0.556 11.772 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.293 -0.645 11.549 1.00 0.00 H new ATOM 219 N LEU A 15 0.734 0.416 8.367 1.00 0.00 N ATOM 220 CA LEU A 15 -0.654 0.265 7.963 1.00 0.00 C ATOM 221 C LEU A 15 -1.287 -0.886 8.749 1.00 0.00 C ATOM 222 O LEU A 15 -0.588 -1.645 9.417 1.00 0.00 O ATOM 223 CB LEU A 15 -0.755 0.101 6.445 1.00 0.00 C ATOM 224 CG LEU A 15 -1.466 1.229 5.694 1.00 0.00 C ATOM 225 CD1 LEU A 15 -2.976 0.987 5.643 1.00 0.00 C ATOM 226 CD2 LEU A 15 -1.126 2.591 6.302 1.00 0.00 C ATOM 0 H LEU A 15 1.389 -0.197 7.882 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.221 1.165 8.202 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.253 0.002 6.042 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.275 -0.833 6.234 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.105 1.235 4.666 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.457 1.803 5.104 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.177 0.046 5.131 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.371 0.939 6.658 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.644 3.375 5.750 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.441 2.613 7.345 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.050 2.757 6.245 1.00 0.00 H new ATOM 237 N GLU A 16 -2.605 -0.977 8.642 1.00 0.00 N ATOM 238 CA GLU A 16 -3.341 -2.022 9.334 1.00 0.00 C ATOM 239 C GLU A 16 -4.281 -2.741 8.365 1.00 0.00 C ATOM 240 O GLU A 16 -5.475 -2.448 8.321 1.00 0.00 O ATOM 241 CB GLU A 16 -4.112 -1.452 10.526 1.00 0.00 C ATOM 242 CG GLU A 16 -3.418 -1.795 11.844 1.00 0.00 C ATOM 243 CD GLU A 16 -3.686 -0.722 12.902 1.00 0.00 C ATOM 244 OE1 GLU A 16 -3.551 0.469 12.548 1.00 0.00 O ATOM 245 OE2 GLU A 16 -4.020 -1.118 14.039 1.00 0.00 O ATOM 0 H GLU A 16 -3.182 -0.345 8.087 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.626 -2.748 9.720 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.195 -0.370 10.426 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.127 -1.850 10.531 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.771 -2.761 12.204 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.344 -1.889 11.680 1.00 0.00 H new ATOM 250 N VAL A 17 -3.707 -3.667 7.611 1.00 0.00 N ATOM 251 CA VAL A 17 -4.480 -4.429 6.646 1.00 0.00 C ATOM 252 C VAL A 17 -4.521 -5.897 7.076 1.00 0.00 C ATOM 253 O VAL A 17 -3.993 -6.254 8.128 1.00 0.00 O ATOM 254 CB VAL A 17 -3.902 -4.234 5.242 1.00 0.00 C ATOM 255 CG1 VAL A 17 -4.240 -2.844 4.698 1.00 0.00 C ATOM 256 CG2 VAL A 17 -2.391 -4.474 5.232 1.00 0.00 C ATOM 0 H VAL A 17 -2.716 -3.906 7.649 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.509 -4.071 6.613 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.362 -4.972 4.585 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.818 -2.731 3.699 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.322 -2.726 4.650 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.821 -2.084 5.357 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.006 -4.329 4.223 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.906 -3.771 5.910 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.182 -5.493 5.557 1.00 0.00 H new ATOM 266 N GLU A 18 -5.153 -6.708 6.241 1.00 0.00 N ATOM 267 CA GLU A 18 -5.269 -8.129 6.522 1.00 0.00 C ATOM 268 C GLU A 18 -4.732 -8.949 5.346 1.00 0.00 C ATOM 269 O GLU A 18 -4.698 -8.469 4.214 1.00 0.00 O ATOM 270 CB GLU A 18 -6.718 -8.508 6.837 1.00 0.00 C ATOM 271 CG GLU A 18 -7.027 -8.304 8.321 1.00 0.00 C ATOM 272 CD GLU A 18 -8.195 -9.187 8.765 1.00 0.00 C ATOM 273 OE1 GLU A 18 -9.310 -8.954 8.250 1.00 0.00 O ATOM 274 OE2 GLU A 18 -7.947 -10.075 9.609 1.00 0.00 O ATOM 0 H GLU A 18 -5.590 -6.408 5.370 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.668 -8.356 7.402 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.395 -7.903 6.234 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.893 -9.549 6.565 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.144 -8.538 8.915 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.268 -7.257 8.505 1.00 0.00 H new ATOM 279 N PRO A 19 -4.315 -10.203 5.664 1.00 0.00 N ATOM 280 CA PRO A 19 -3.781 -11.094 4.648 1.00 0.00 C ATOM 281 C PRO A 19 -4.898 -11.653 3.765 1.00 0.00 C ATOM 282 O PRO A 19 -4.635 -12.380 2.810 1.00 0.00 O ATOM 283 CB PRO A 19 -3.039 -12.172 5.422 1.00 0.00 C ATOM 284 CG PRO A 19 -3.574 -12.109 6.843 1.00 0.00 C ATOM 285 CD PRO A 19 -4.340 -10.805 6.994 1.00 0.00 C ATOM 0 HA PRO A 19 -3.111 -10.587 3.954 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.210 -13.155 4.984 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.963 -11.997 5.402 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.225 -12.960 7.044 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.756 -12.157 7.562 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.362 -10.983 7.329 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.871 -10.154 7.732 1.00 0.00 H new ATOM 290 N SER A 20 -6.123 -11.289 4.117 1.00 0.00 N ATOM 291 CA SER A 20 -7.282 -11.745 3.369 1.00 0.00 C ATOM 292 C SER A 20 -7.932 -10.566 2.641 1.00 0.00 C ATOM 293 O SER A 20 -9.010 -10.705 2.067 1.00 0.00 O ATOM 294 CB SER A 20 -8.298 -12.426 4.288 1.00 0.00 C ATOM 295 OG SER A 20 -8.586 -11.641 5.440 1.00 0.00 O ATOM 0 H SER A 20 -6.338 -10.684 4.910 1.00 0.00 H new ATOM 0 HA SER A 20 -6.948 -12.478 2.635 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.219 -12.611 3.736 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.912 -13.397 4.598 1.00 0.00 H new ATOM 0 HG SER A 20 -9.240 -12.109 6.000 1.00 0.00 H new ATOM 300 N ASP A 21 -7.247 -9.433 2.689 1.00 0.00 N ATOM 301 CA ASP A 21 -7.744 -8.230 2.042 1.00 0.00 C ATOM 302 C ASP A 21 -7.202 -8.165 0.612 1.00 0.00 C ATOM 303 O ASP A 21 -6.083 -8.602 0.349 1.00 0.00 O ATOM 304 CB ASP A 21 -7.279 -6.974 2.782 1.00 0.00 C ATOM 305 CG ASP A 21 -7.877 -6.788 4.178 1.00 0.00 C ATOM 306 OD1 ASP A 21 -8.911 -7.436 4.444 1.00 0.00 O ATOM 307 OD2 ASP A 21 -7.284 -6.002 4.949 1.00 0.00 O ATOM 0 H ASP A 21 -6.352 -9.322 3.166 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.833 -8.269 2.048 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.193 -7.003 2.869 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.527 -6.102 2.178 1.00 0.00 H new ATOM 311 N THR A 22 -8.021 -7.616 -0.273 1.00 0.00 N ATOM 312 CA THR A 22 -7.637 -7.487 -1.668 1.00 0.00 C ATOM 313 C THR A 22 -6.697 -6.294 -1.855 1.00 0.00 C ATOM 314 O THR A 22 -6.886 -5.247 -1.237 1.00 0.00 O ATOM 315 CB THR A 22 -8.916 -7.390 -2.502 1.00 0.00 C ATOM 316 OG1 THR A 22 -8.449 -7.334 -3.848 1.00 0.00 O ATOM 317 CG2 THR A 22 -9.645 -6.059 -2.304 1.00 0.00 C ATOM 0 H THR A 22 -8.949 -7.255 -0.051 1.00 0.00 H new ATOM 0 HA THR A 22 -7.076 -8.358 -2.006 1.00 0.00 H new ATOM 0 HB THR A 22 -9.583 -8.211 -2.240 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.214 -7.272 -4.457 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.545 -6.042 -2.918 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.919 -5.947 -1.255 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.990 -5.238 -2.597 1.00 0.00 H new ATOM 325 N ILE A 23 -5.706 -6.491 -2.711 1.00 0.00 N ATOM 326 CA ILE A 23 -4.736 -5.445 -2.987 1.00 0.00 C ATOM 327 C ILE A 23 -5.453 -4.096 -3.054 1.00 0.00 C ATOM 328 O ILE A 23 -4.923 -3.084 -2.600 1.00 0.00 O ATOM 329 CB ILE A 23 -3.933 -5.778 -4.247 1.00 0.00 C ATOM 330 CG1 ILE A 23 -3.193 -7.108 -4.091 1.00 0.00 C ATOM 331 CG2 ILE A 23 -2.985 -4.634 -4.611 1.00 0.00 C ATOM 332 CD1 ILE A 23 -2.568 -7.226 -2.700 1.00 0.00 C ATOM 0 H ILE A 23 -5.553 -7.360 -3.223 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.006 -5.379 -2.180 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.631 -5.894 -5.076 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.884 -7.935 -4.255 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.416 -7.187 -4.851 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.427 -4.896 -5.510 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.562 -3.728 -4.794 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.290 -4.462 -3.789 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.048 -8.180 -2.615 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.859 -6.412 -2.549 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.351 -7.170 -1.944 1.00 0.00 H new ATOM 343 N GLU A 24 -6.650 -4.124 -3.623 1.00 0.00 N ATOM 344 CA GLU A 24 -7.445 -2.916 -3.755 1.00 0.00 C ATOM 345 C GLU A 24 -7.643 -2.259 -2.387 1.00 0.00 C ATOM 346 O GLU A 24 -7.197 -1.134 -2.165 1.00 0.00 O ATOM 347 CB GLU A 24 -8.791 -3.216 -4.420 1.00 0.00 C ATOM 348 CG GLU A 24 -9.283 -2.013 -5.228 1.00 0.00 C ATOM 349 CD GLU A 24 -10.761 -1.734 -4.951 1.00 0.00 C ATOM 350 OE1 GLU A 24 -11.146 -1.840 -3.767 1.00 0.00 O ATOM 351 OE2 GLU A 24 -11.472 -1.420 -5.930 1.00 0.00 O ATOM 0 H GLU A 24 -7.088 -4.965 -3.998 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.907 -2.218 -4.397 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.693 -4.082 -5.074 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.528 -3.473 -3.659 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.690 -1.134 -4.976 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.138 -2.201 -6.292 1.00 0.00 H new ATOM 356 N ASN A 25 -8.312 -2.989 -1.507 1.00 0.00 N ATOM 357 CA ASN A 25 -8.573 -2.492 -0.167 1.00 0.00 C ATOM 358 C ASN A 25 -7.270 -1.978 0.445 1.00 0.00 C ATOM 359 O ASN A 25 -7.226 -0.874 0.987 1.00 0.00 O ATOM 360 CB ASN A 25 -9.116 -3.601 0.736 1.00 0.00 C ATOM 361 CG ASN A 25 -10.088 -3.037 1.774 1.00 0.00 C ATOM 362 OD1 ASN A 25 -11.011 -3.696 2.222 1.00 0.00 O ATOM 363 ND2 ASN A 25 -9.829 -1.781 2.131 1.00 0.00 N ATOM 0 H ASN A 25 -8.681 -3.921 -1.696 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.312 -1.694 -0.242 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.622 -4.353 0.130 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.289 -4.101 1.241 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.420 -1.314 2.819 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.039 -1.286 1.717 1.00 0.00 H new ATOM 369 N VAL A 26 -6.238 -2.803 0.339 1.00 0.00 N ATOM 370 CA VAL A 26 -4.936 -2.445 0.877 1.00 0.00 C ATOM 371 C VAL A 26 -4.453 -1.153 0.215 1.00 0.00 C ATOM 372 O VAL A 26 -3.825 -0.317 0.863 1.00 0.00 O ATOM 373 CB VAL A 26 -3.959 -3.610 0.698 1.00 0.00 C ATOM 374 CG1 VAL A 26 -2.726 -3.432 1.586 1.00 0.00 C ATOM 375 CG2 VAL A 26 -4.645 -4.949 0.973 1.00 0.00 C ATOM 0 H VAL A 26 -6.277 -3.717 -0.111 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.004 -2.255 1.948 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.627 -3.612 -0.340 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.048 -4.273 1.440 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.217 -2.505 1.321 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.033 -3.391 2.631 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.928 -5.759 0.839 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.020 -4.962 1.996 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.476 -5.081 0.280 1.00 0.00 H new ATOM 385 N LYS A 27 -4.765 -1.030 -1.067 1.00 0.00 N ATOM 386 CA LYS A 27 -4.370 0.146 -1.823 1.00 0.00 C ATOM 387 C LYS A 27 -5.384 1.267 -1.580 1.00 0.00 C ATOM 388 O LYS A 27 -5.163 2.407 -1.985 1.00 0.00 O ATOM 389 CB LYS A 27 -4.184 -0.204 -3.300 1.00 0.00 C ATOM 390 CG LYS A 27 -4.686 0.927 -4.201 1.00 0.00 C ATOM 391 CD LYS A 27 -4.634 0.519 -5.674 1.00 0.00 C ATOM 392 CE LYS A 27 -3.203 0.183 -6.100 1.00 0.00 C ATOM 393 NZ LYS A 27 -3.118 0.051 -7.572 1.00 0.00 N ATOM 0 H LYS A 27 -5.287 -1.725 -1.601 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.401 0.511 -1.481 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.130 -0.394 -3.502 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.723 -1.123 -3.530 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.709 1.187 -3.928 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.078 1.818 -4.045 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.278 -0.344 -5.839 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.021 1.328 -6.293 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.523 0.964 -5.759 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.885 -0.746 -5.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.141 -0.177 -7.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.752 -0.710 -7.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.401 0.947 -8.018 1.00 0.00 H new ATOM 403 N ALA A 28 -6.475 0.902 -0.921 1.00 0.00 N ATOM 404 CA ALA A 28 -7.523 1.863 -0.620 1.00 0.00 C ATOM 405 C ALA A 28 -7.264 2.477 0.758 1.00 0.00 C ATOM 406 O ALA A 28 -7.295 3.697 0.912 1.00 0.00 O ATOM 407 CB ALA A 28 -8.886 1.173 -0.705 1.00 0.00 C ATOM 0 H ALA A 28 -6.655 -0.045 -0.588 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.522 2.675 -1.348 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.673 1.893 -0.479 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.032 0.779 -1.711 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.925 0.355 0.014 1.00 0.00 H new ATOM 413 N LYS A 29 -7.017 1.604 1.723 1.00 0.00 N ATOM 414 CA LYS A 29 -6.753 2.046 3.082 1.00 0.00 C ATOM 415 C LYS A 29 -5.885 3.305 3.045 1.00 0.00 C ATOM 416 O LYS A 29 -6.282 4.353 3.551 1.00 0.00 O ATOM 417 CB LYS A 29 -6.153 0.907 3.908 1.00 0.00 C ATOM 418 CG LYS A 29 -7.190 0.319 4.867 1.00 0.00 C ATOM 419 CD LYS A 29 -6.531 -0.619 5.880 1.00 0.00 C ATOM 420 CE LYS A 29 -7.465 -1.774 6.246 1.00 0.00 C ATOM 421 NZ LYS A 29 -8.464 -1.336 7.246 1.00 0.00 N ATOM 0 H LYS A 29 -6.994 0.593 1.591 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.683 2.316 3.583 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.784 0.126 3.243 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.297 1.275 4.474 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.703 1.125 5.392 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.947 -0.225 4.301 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.604 -1.014 5.465 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.267 -0.062 6.779 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.972 -2.137 5.352 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.885 -2.607 6.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.090 -2.132 7.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.976 -1.011 8.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.029 -0.556 6.853 1.00 0.00 H new ATOM 431 N ILE A 30 -4.714 3.159 2.442 1.00 0.00 N ATOM 432 CA ILE A 30 -3.784 4.271 2.332 1.00 0.00 C ATOM 433 C ILE A 30 -4.539 5.515 1.859 1.00 0.00 C ATOM 434 O ILE A 30 -4.502 6.555 2.514 1.00 0.00 O ATOM 435 CB ILE A 30 -2.600 3.893 1.441 1.00 0.00 C ATOM 436 CG1 ILE A 30 -3.078 3.286 0.121 1.00 0.00 C ATOM 437 CG2 ILE A 30 -1.631 2.967 2.181 1.00 0.00 C ATOM 438 CD1 ILE A 30 -2.126 2.185 -0.352 1.00 0.00 C ATOM 0 H ILE A 30 -4.388 2.287 2.024 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.356 4.509 3.306 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.053 4.803 1.196 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.080 2.876 0.247 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.145 4.065 -0.639 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.798 2.713 1.525 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.252 3.472 3.070 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.152 2.056 2.475 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.488 1.770 -1.292 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.131 2.604 -0.500 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.080 1.396 0.399 1.00 0.00 H new ATOM 449 N GLN A 31 -5.205 5.367 0.722 1.00 0.00 N ATOM 450 CA GLN A 31 -5.966 6.466 0.152 1.00 0.00 C ATOM 451 C GLN A 31 -6.948 7.022 1.185 1.00 0.00 C ATOM 452 O GLN A 31 -7.425 8.149 1.049 1.00 0.00 O ATOM 453 CB GLN A 31 -6.697 6.025 -1.118 1.00 0.00 C ATOM 454 CG GLN A 31 -5.717 5.455 -2.145 1.00 0.00 C ATOM 455 CD GLN A 31 -4.562 6.426 -2.399 1.00 0.00 C ATOM 456 OE1 GLN A 31 -4.498 7.102 -3.412 1.00 0.00 O ATOM 457 NE2 GLN A 31 -3.657 6.455 -1.425 1.00 0.00 N ATOM 0 H GLN A 31 -5.233 4.503 0.181 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.272 7.259 -0.125 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -7.446 5.273 -0.868 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.228 6.873 -1.549 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.324 4.503 -1.789 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.240 5.254 -3.080 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.773 5.862 -0.603 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.847 7.070 -1.500 1.00 0.00 H new ATOM 464 N ASP A 32 -7.221 6.208 2.194 1.00 0.00 N ATOM 465 CA ASP A 32 -8.137 6.607 3.250 1.00 0.00 C ATOM 466 C ASP A 32 -7.357 7.327 4.351 1.00 0.00 C ATOM 467 O ASP A 32 -7.935 8.077 5.136 1.00 0.00 O ATOM 468 CB ASP A 32 -8.820 5.388 3.874 1.00 0.00 C ATOM 469 CG ASP A 32 -10.322 5.545 4.125 1.00 0.00 C ATOM 470 OD1 ASP A 32 -10.690 6.574 4.732 1.00 0.00 O ATOM 471 OD2 ASP A 32 -11.066 4.634 3.702 1.00 0.00 O ATOM 0 H ASP A 32 -6.824 5.275 2.303 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.892 7.260 2.813 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.664 4.529 3.221 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.330 5.161 4.821 1.00 0.00 H new ATOM 475 N LYS A 33 -6.057 7.074 4.374 1.00 0.00 N ATOM 476 CA LYS A 33 -5.193 7.689 5.367 1.00 0.00 C ATOM 477 C LYS A 33 -4.752 9.067 4.869 1.00 0.00 C ATOM 478 O LYS A 33 -4.897 10.063 5.575 1.00 0.00 O ATOM 479 CB LYS A 33 -4.029 6.760 5.715 1.00 0.00 C ATOM 480 CG LYS A 33 -4.533 5.472 6.370 1.00 0.00 C ATOM 481 CD LYS A 33 -4.210 5.455 7.866 1.00 0.00 C ATOM 482 CE LYS A 33 -5.383 5.997 8.686 1.00 0.00 C ATOM 483 NZ LYS A 33 -5.111 5.857 10.134 1.00 0.00 N ATOM 0 H LYS A 33 -5.581 6.452 3.721 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.736 7.844 6.300 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.469 6.518 4.811 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.341 7.270 6.389 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.610 5.384 6.226 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.075 4.610 5.885 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.981 4.437 8.181 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.320 6.055 8.057 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.552 7.046 8.441 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.295 5.459 8.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.917 6.229 10.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.972 4.853 10.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.253 6.390 10.379 1.00 0.00 H new ATOM 493 N GLU A 34 -4.220 9.079 3.655 1.00 0.00 N ATOM 494 CA GLU A 34 -3.755 10.318 3.054 1.00 0.00 C ATOM 495 C GLU A 34 -4.938 11.112 2.495 1.00 0.00 C ATOM 496 O GLU A 34 -4.943 12.341 2.543 1.00 0.00 O ATOM 497 CB GLU A 34 -2.716 10.043 1.965 1.00 0.00 C ATOM 498 CG GLU A 34 -3.158 8.888 1.064 1.00 0.00 C ATOM 499 CD GLU A 34 -2.418 7.598 1.426 1.00 0.00 C ATOM 500 OE1 GLU A 34 -2.249 7.362 2.642 1.00 0.00 O ATOM 501 OE2 GLU A 34 -2.040 6.876 0.479 1.00 0.00 O ATOM 0 H GLU A 34 -4.101 8.251 3.072 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.273 10.916 3.827 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.567 10.941 1.365 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.757 9.804 2.425 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.233 8.735 1.163 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.967 9.141 0.021 1.00 0.00 H new ATOM 506 N GLY A 35 -5.911 10.377 1.978 1.00 0.00 N ATOM 507 CA GLY A 35 -7.097 10.997 1.410 1.00 0.00 C ATOM 508 C GLY A 35 -6.888 11.328 -0.069 1.00 0.00 C ATOM 509 O GLY A 35 -7.534 12.227 -0.605 1.00 0.00 O ATOM 0 H GLY A 35 -5.903 9.358 1.940 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.950 10.327 1.519 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.335 11.908 1.960 1.00 0.00 H new ATOM 513 N ILE A 36 -5.983 10.583 -0.686 1.00 0.00 N ATOM 514 CA ILE A 36 -5.680 10.787 -2.093 1.00 0.00 C ATOM 515 C ILE A 36 -6.114 9.552 -2.887 1.00 0.00 C ATOM 516 O ILE A 36 -6.146 8.445 -2.352 1.00 0.00 O ATOM 517 CB ILE A 36 -4.205 11.148 -2.277 1.00 0.00 C ATOM 518 CG1 ILE A 36 -3.431 9.990 -2.910 1.00 0.00 C ATOM 519 CG2 ILE A 36 -3.582 11.600 -0.955 1.00 0.00 C ATOM 520 CD1 ILE A 36 -1.986 10.395 -3.211 1.00 0.00 C ATOM 0 H ILE A 36 -5.450 9.838 -0.238 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.243 11.634 -2.485 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.143 11.990 -2.966 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.439 9.132 -2.238 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.924 9.678 -3.831 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.533 11.851 -1.114 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.112 12.477 -0.584 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.656 10.795 -0.224 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.458 9.554 -3.660 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.981 11.238 -3.902 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.488 10.683 -2.285 1.00 0.00 H new ATOM 531 N PRO A 37 -6.446 9.791 -4.184 1.00 0.00 N ATOM 532 CA PRO A 37 -6.877 8.712 -5.056 1.00 0.00 C ATOM 533 C PRO A 37 -5.691 7.845 -5.484 1.00 0.00 C ATOM 534 O PRO A 37 -4.610 8.361 -5.768 1.00 0.00 O ATOM 535 CB PRO A 37 -7.561 9.400 -6.226 1.00 0.00 C ATOM 536 CG PRO A 37 -7.081 10.843 -6.198 1.00 0.00 C ATOM 537 CD PRO A 37 -6.420 11.089 -4.852 1.00 0.00 C ATOM 0 HA PRO A 37 -7.560 8.021 -4.562 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.300 8.920 -7.169 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.646 9.347 -6.131 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.376 11.026 -7.009 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.918 11.526 -6.343 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.399 11.452 -4.972 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.960 11.841 -4.277 1.00 0.00 H new ATOM 542 N PRO A 38 -5.938 6.508 -5.516 1.00 0.00 N ATOM 543 CA PRO A 38 -4.903 5.565 -5.903 1.00 0.00 C ATOM 544 C PRO A 38 -4.672 5.594 -7.416 1.00 0.00 C ATOM 545 O PRO A 38 -3.729 4.983 -7.916 1.00 0.00 O ATOM 546 CB PRO A 38 -5.393 4.216 -5.403 1.00 0.00 C ATOM 547 CG PRO A 38 -6.887 4.375 -5.169 1.00 0.00 C ATOM 548 CD PRO A 38 -7.204 5.861 -5.186 1.00 0.00 C ATOM 0 HA PRO A 38 -3.932 5.806 -5.471 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.194 3.433 -6.134 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.882 3.931 -4.483 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.452 3.855 -5.942 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.173 3.934 -4.214 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.971 6.093 -5.924 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.580 6.197 -4.219 1.00 0.00 H new ATOM 553 N ASP A 39 -5.551 6.309 -8.102 1.00 0.00 N ATOM 554 CA ASP A 39 -5.455 6.427 -9.548 1.00 0.00 C ATOM 555 C ASP A 39 -4.085 6.993 -9.919 1.00 0.00 C ATOM 556 O ASP A 39 -3.652 6.881 -11.065 1.00 0.00 O ATOM 557 CB ASP A 39 -6.524 7.375 -10.095 1.00 0.00 C ATOM 558 CG ASP A 39 -7.699 6.690 -10.797 1.00 0.00 C ATOM 559 OD1 ASP A 39 -7.426 5.943 -11.761 1.00 0.00 O ATOM 560 OD2 ASP A 39 -8.842 6.930 -10.353 1.00 0.00 O ATOM 0 H ASP A 39 -6.333 6.813 -7.684 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.599 5.436 -9.978 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.912 7.975 -9.272 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.053 8.064 -10.796 1.00 0.00 H new ATOM 564 N GLN A 40 -3.438 7.590 -8.928 1.00 0.00 N ATOM 565 CA GLN A 40 -2.124 8.176 -9.138 1.00 0.00 C ATOM 566 C GLN A 40 -1.038 7.248 -8.588 1.00 0.00 C ATOM 567 O GLN A 40 -0.272 6.663 -9.352 1.00 0.00 O ATOM 568 CB GLN A 40 -2.035 9.563 -8.500 1.00 0.00 C ATOM 569 CG GLN A 40 -2.872 10.580 -9.280 1.00 0.00 C ATOM 570 CD GLN A 40 -4.303 10.075 -9.476 1.00 0.00 C ATOM 571 OE1 GLN A 40 -4.801 9.959 -10.585 1.00 0.00 O ATOM 572 NE2 GLN A 40 -4.934 9.782 -8.343 1.00 0.00 N ATOM 0 H GLN A 40 -3.799 7.681 -7.978 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.966 8.295 -10.210 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.383 9.516 -7.468 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.995 9.888 -8.471 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.887 11.530 -8.746 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -2.412 10.767 -10.250 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.459 9.902 -7.449 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -5.894 9.437 -8.368 1.00 0.00 H new ATOM 579 N GLN A 41 -1.005 7.145 -7.268 1.00 0.00 N ATOM 580 CA GLN A 41 -0.024 6.300 -6.608 1.00 0.00 C ATOM 581 C GLN A 41 -0.144 4.859 -7.107 1.00 0.00 C ATOM 582 O GLN A 41 -0.941 4.571 -8.000 1.00 0.00 O ATOM 583 CB GLN A 41 -0.178 6.367 -5.087 1.00 0.00 C ATOM 584 CG GLN A 41 -0.055 7.808 -4.587 1.00 0.00 C ATOM 585 CD GLN A 41 1.410 8.185 -4.354 1.00 0.00 C ATOM 586 OE1 GLN A 41 1.931 8.104 -3.254 1.00 0.00 O ATOM 587 NE2 GLN A 41 2.043 8.599 -5.448 1.00 0.00 N ATOM 0 H GLN A 41 -1.642 7.632 -6.637 1.00 0.00 H new ATOM 0 HA GLN A 41 0.971 6.669 -6.857 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.146 5.959 -4.798 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.583 5.747 -4.613 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.498 8.488 -5.315 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.616 7.924 -3.660 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.547 8.643 -6.338 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.024 8.872 -5.397 1.00 0.00 H new ATOM 594 N ARG A 42 0.659 3.990 -6.510 1.00 0.00 N ATOM 595 CA ARG A 42 0.654 2.586 -6.883 1.00 0.00 C ATOM 596 C ARG A 42 1.547 1.782 -5.937 1.00 0.00 C ATOM 597 O ARG A 42 2.761 1.978 -5.908 1.00 0.00 O ATOM 598 CB ARG A 42 1.141 2.396 -8.321 1.00 0.00 C ATOM 599 CG ARG A 42 0.278 1.373 -9.062 1.00 0.00 C ATOM 600 CD ARG A 42 0.396 1.552 -10.577 1.00 0.00 C ATOM 601 NE ARG A 42 -0.895 2.018 -11.133 1.00 0.00 N ATOM 602 CZ ARG A 42 -1.052 2.482 -12.380 1.00 0.00 C ATOM 603 NH1 ARG A 42 0.000 2.546 -13.208 1.00 0.00 N ATOM 604 NH2 ARG A 42 -2.259 2.884 -12.798 1.00 0.00 N ATOM 0 H ARG A 42 1.318 4.232 -5.770 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.373 2.227 -6.810 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.113 3.350 -8.847 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.180 2.065 -8.316 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.586 0.364 -8.786 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.763 1.483 -8.759 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.181 2.272 -10.806 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.683 0.609 -11.042 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.716 1.984 -10.529 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.920 2.241 -12.889 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.119 2.899 -14.157 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.059 2.837 -12.167 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.378 3.237 -13.747 1.00 0.00 H new ATOM 615 N LEU A 43 0.913 0.894 -5.187 1.00 0.00 N ATOM 616 CA LEU A 43 1.637 0.058 -4.243 1.00 0.00 C ATOM 617 C LEU A 43 2.288 -1.106 -4.992 1.00 0.00 C ATOM 618 O LEU A 43 1.719 -1.626 -5.951 1.00 0.00 O ATOM 619 CB LEU A 43 0.716 -0.382 -3.102 1.00 0.00 C ATOM 620 CG LEU A 43 0.106 -1.779 -3.235 1.00 0.00 C ATOM 621 CD1 LEU A 43 -0.742 -1.890 -4.502 1.00 0.00 C ATOM 622 CD2 LEU A 43 1.190 -2.858 -3.175 1.00 0.00 C ATOM 0 H LEU A 43 -0.094 0.734 -5.213 1.00 0.00 H new ATOM 0 HA LEU A 43 2.442 0.623 -3.773 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.279 -0.340 -2.170 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.095 0.341 -3.017 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.560 -1.942 -2.388 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.163 -2.893 -4.571 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.550 -1.159 -4.464 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.119 -1.697 -5.375 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.730 -3.842 -3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.899 -2.707 -3.989 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.714 -2.795 -2.221 1.00 0.00 H new ATOM 633 N ILE A 44 3.470 -1.480 -4.527 1.00 0.00 N ATOM 634 CA ILE A 44 4.205 -2.573 -5.141 1.00 0.00 C ATOM 635 C ILE A 44 4.775 -3.477 -4.047 1.00 0.00 C ATOM 636 O ILE A 44 4.766 -3.116 -2.871 1.00 0.00 O ATOM 637 CB ILE A 44 5.262 -2.033 -6.107 1.00 0.00 C ATOM 638 CG1 ILE A 44 4.621 -1.162 -7.190 1.00 0.00 C ATOM 639 CG2 ILE A 44 6.093 -3.170 -6.702 1.00 0.00 C ATOM 640 CD1 ILE A 44 4.306 -1.986 -8.440 1.00 0.00 C ATOM 0 H ILE A 44 3.938 -1.046 -3.732 1.00 0.00 H new ATOM 0 HA ILE A 44 3.539 -3.187 -5.747 1.00 0.00 H new ATOM 0 HB ILE A 44 5.945 -1.396 -5.545 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.705 -0.713 -6.806 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.293 -0.344 -7.449 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.836 -2.759 -7.385 1.00 0.00 H new ATOM 0 HG22 ILE A 44 6.596 -3.711 -5.901 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.440 -3.852 -7.246 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.851 -1.344 -9.194 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.227 -2.414 -8.835 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.615 -2.788 -8.182 1.00 0.00 H new ATOM 651 N PHE A 45 5.260 -4.633 -4.472 1.00 0.00 N ATOM 652 CA PHE A 45 5.835 -5.592 -3.544 1.00 0.00 C ATOM 653 C PHE A 45 6.765 -6.567 -4.267 1.00 0.00 C ATOM 654 O PHE A 45 6.367 -7.202 -5.244 1.00 0.00 O ATOM 655 CB PHE A 45 4.671 -6.374 -2.931 1.00 0.00 C ATOM 656 CG PHE A 45 5.078 -7.295 -1.779 1.00 0.00 C ATOM 657 CD1 PHE A 45 5.655 -6.773 -0.664 1.00 0.00 C ATOM 658 CD2 PHE A 45 4.863 -8.634 -1.870 1.00 0.00 C ATOM 659 CE1 PHE A 45 6.034 -7.628 0.406 1.00 0.00 C ATOM 660 CE2 PHE A 45 5.240 -9.489 -0.800 1.00 0.00 C ATOM 661 CZ PHE A 45 5.818 -8.967 0.315 1.00 0.00 C ATOM 0 H PHE A 45 5.267 -4.928 -5.448 1.00 0.00 H new ATOM 0 HA PHE A 45 6.420 -5.071 -2.786 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.922 -5.668 -2.571 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.198 -6.971 -3.710 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.825 -5.709 -0.592 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.405 -9.048 -2.756 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.494 -7.214 1.291 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.068 -10.553 -0.872 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.105 -9.617 1.128 1.00 0.00 H new ATOM 670 N ALA A 46 7.986 -6.658 -3.760 1.00 0.00 N ATOM 671 CA ALA A 46 8.975 -7.546 -4.347 1.00 0.00 C ATOM 672 C ALA A 46 9.490 -6.937 -5.652 1.00 0.00 C ATOM 673 O ALA A 46 10.657 -6.559 -5.747 1.00 0.00 O ATOM 674 CB ALA A 46 8.360 -8.931 -4.552 1.00 0.00 C ATOM 0 H ALA A 46 8.313 -6.132 -2.950 1.00 0.00 H new ATOM 0 HA ALA A 46 9.829 -7.665 -3.680 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.102 -9.597 -4.992 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.038 -9.332 -3.591 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.501 -8.853 -5.219 1.00 0.00 H new ATOM 680 N GLY A 47 8.596 -6.862 -6.626 1.00 0.00 N ATOM 681 CA GLY A 47 8.946 -6.306 -7.922 1.00 0.00 C ATOM 682 C GLY A 47 7.961 -6.764 -8.999 1.00 0.00 C ATOM 683 O GLY A 47 8.339 -7.477 -9.929 1.00 0.00 O ATOM 0 H GLY A 47 7.629 -7.177 -6.544 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.949 -5.217 -7.866 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.956 -6.614 -8.193 1.00 0.00 H new ATOM 687 N LYS A 48 6.717 -6.338 -8.839 1.00 0.00 N ATOM 688 CA LYS A 48 5.675 -6.696 -9.786 1.00 0.00 C ATOM 689 C LYS A 48 4.529 -5.687 -9.683 1.00 0.00 C ATOM 690 O LYS A 48 4.500 -4.868 -8.766 1.00 0.00 O ATOM 691 CB LYS A 48 5.237 -8.147 -9.578 1.00 0.00 C ATOM 692 CG LYS A 48 4.588 -8.332 -8.205 1.00 0.00 C ATOM 693 CD LYS A 48 5.382 -9.322 -7.352 1.00 0.00 C ATOM 694 CE LYS A 48 4.773 -10.724 -7.429 1.00 0.00 C ATOM 695 NZ LYS A 48 5.399 -11.617 -6.428 1.00 0.00 N ATOM 0 H LYS A 48 6.407 -5.748 -8.067 1.00 0.00 H new ATOM 0 HA LYS A 48 6.054 -6.645 -10.807 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.533 -8.433 -10.359 1.00 0.00 H new ATOM 0 HB3 LYS A 48 6.099 -8.808 -9.669 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.530 -7.371 -7.694 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.566 -8.690 -8.327 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.417 -9.352 -7.692 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.397 -8.984 -6.316 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.698 -10.670 -7.255 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.914 -11.134 -8.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.974 -12.564 -6.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.421 -11.682 -6.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.243 -11.233 -5.474 1.00 0.00 H new ATOM 705 N GLN A 49 3.615 -5.779 -10.637 1.00 0.00 N ATOM 706 CA GLN A 49 2.471 -4.884 -10.665 1.00 0.00 C ATOM 707 C GLN A 49 1.399 -5.361 -9.684 1.00 0.00 C ATOM 708 O GLN A 49 0.553 -6.183 -10.034 1.00 0.00 O ATOM 709 CB GLN A 49 1.902 -4.764 -12.081 1.00 0.00 C ATOM 710 CG GLN A 49 0.532 -4.084 -12.066 1.00 0.00 C ATOM 711 CD GLN A 49 -0.071 -4.036 -13.472 1.00 0.00 C ATOM 712 OE1 GLN A 49 -0.318 -5.051 -14.104 1.00 0.00 O ATOM 713 NE2 GLN A 49 -0.294 -2.805 -13.924 1.00 0.00 N ATOM 0 H GLN A 49 3.643 -6.459 -11.396 1.00 0.00 H new ATOM 0 HA GLN A 49 2.804 -3.893 -10.357 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.589 -4.192 -12.705 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.815 -5.755 -12.527 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.139 -4.623 -11.397 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.628 -3.072 -11.673 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.064 -1.999 -13.343 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.695 -2.667 -14.852 1.00 0.00 H new ATOM 720 N LEU A 50 1.470 -4.827 -8.473 1.00 0.00 N ATOM 721 CA LEU A 50 0.516 -5.188 -7.438 1.00 0.00 C ATOM 722 C LEU A 50 -0.870 -4.666 -7.823 1.00 0.00 C ATOM 723 O LEU A 50 -1.109 -3.460 -7.808 1.00 0.00 O ATOM 724 CB LEU A 50 0.999 -4.701 -6.071 1.00 0.00 C ATOM 725 CG LEU A 50 2.093 -5.539 -5.408 1.00 0.00 C ATOM 726 CD1 LEU A 50 1.971 -5.492 -3.884 1.00 0.00 C ATOM 727 CD2 LEU A 50 2.084 -6.973 -5.941 1.00 0.00 C ATOM 0 H LEU A 50 2.174 -4.147 -8.186 1.00 0.00 H new ATOM 0 HA LEU A 50 0.437 -6.272 -7.354 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.367 -3.681 -6.180 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.142 -4.661 -5.398 1.00 0.00 H new ATOM 0 HG LEU A 50 3.059 -5.106 -5.667 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.761 -6.096 -3.437 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.066 -4.461 -3.543 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.000 -5.885 -3.584 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.872 -7.547 -5.453 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.118 -7.432 -5.733 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.256 -6.962 -7.017 1.00 0.00 H new ATOM 738 N GLU A 51 -1.746 -5.602 -8.160 1.00 0.00 N ATOM 739 CA GLU A 51 -3.102 -5.251 -8.548 1.00 0.00 C ATOM 740 C GLU A 51 -4.114 -6.028 -7.702 1.00 0.00 C ATOM 741 O GLU A 51 -3.752 -6.982 -7.016 1.00 0.00 O ATOM 742 CB GLU A 51 -3.327 -5.501 -10.040 1.00 0.00 C ATOM 743 CG GLU A 51 -4.623 -4.842 -10.518 1.00 0.00 C ATOM 744 CD GLU A 51 -4.731 -3.406 -10.000 1.00 0.00 C ATOM 745 OE1 GLU A 51 -3.682 -2.725 -9.996 1.00 0.00 O ATOM 746 OE2 GLU A 51 -5.858 -3.022 -9.623 1.00 0.00 O ATOM 0 H GLU A 51 -1.543 -6.602 -8.172 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.248 -4.186 -8.366 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.484 -5.109 -10.609 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.369 -6.573 -10.230 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.655 -4.843 -11.608 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.479 -5.422 -10.173 1.00 0.00 H new ATOM 751 N ASP A 52 -5.362 -5.590 -7.781 1.00 0.00 N ATOM 752 CA ASP A 52 -6.429 -6.232 -7.031 1.00 0.00 C ATOM 753 C ASP A 52 -6.219 -7.748 -7.050 1.00 0.00 C ATOM 754 O ASP A 52 -5.872 -8.342 -6.031 1.00 0.00 O ATOM 755 CB ASP A 52 -7.795 -5.937 -7.655 1.00 0.00 C ATOM 756 CG ASP A 52 -8.231 -4.473 -7.590 1.00 0.00 C ATOM 757 OD1 ASP A 52 -7.355 -3.631 -7.295 1.00 0.00 O ATOM 758 OD2 ASP A 52 -9.432 -4.227 -7.837 1.00 0.00 O ATOM 0 H ASP A 52 -5.658 -4.799 -8.352 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.406 -5.845 -6.012 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.776 -6.249 -8.699 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.546 -6.547 -7.154 1.00 0.00 H new ATOM 762 N GLY A 53 -6.437 -8.329 -8.220 1.00 0.00 N ATOM 763 CA GLY A 53 -6.275 -9.764 -8.385 1.00 0.00 C ATOM 764 C GLY A 53 -6.680 -10.511 -7.114 1.00 0.00 C ATOM 765 O GLY A 53 -7.862 -10.773 -6.894 1.00 0.00 O ATOM 0 H GLY A 53 -6.725 -7.832 -9.063 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.882 -10.108 -9.222 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.237 -9.991 -8.629 1.00 0.00 H new ATOM 769 N ARG A 54 -5.679 -10.833 -6.309 1.00 0.00 N ATOM 770 CA ARG A 54 -5.916 -11.545 -5.065 1.00 0.00 C ATOM 771 C ARG A 54 -5.606 -10.643 -3.870 1.00 0.00 C ATOM 772 O ARG A 54 -5.492 -9.427 -4.017 1.00 0.00 O ATOM 773 CB ARG A 54 -5.056 -12.808 -4.979 1.00 0.00 C ATOM 774 CG ARG A 54 -5.213 -13.665 -6.238 1.00 0.00 C ATOM 775 CD ARG A 54 -4.182 -13.274 -7.299 1.00 0.00 C ATOM 776 NE ARG A 54 -2.820 -13.611 -6.829 1.00 0.00 N ATOM 777 CZ ARG A 54 -1.723 -13.547 -7.597 1.00 0.00 C ATOM 778 NH1 ARG A 54 -1.823 -13.159 -8.876 1.00 0.00 N ATOM 779 NH2 ARG A 54 -0.528 -13.871 -7.087 1.00 0.00 N ATOM 0 H ARG A 54 -4.700 -10.614 -6.494 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.967 -11.834 -5.044 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.009 -12.532 -4.851 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.342 -13.388 -4.102 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.096 -14.718 -5.982 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.219 -13.545 -6.641 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.393 -13.796 -8.233 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.250 -12.206 -7.508 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.709 -13.911 -5.860 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.733 -12.913 -9.265 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.989 -13.110 -9.461 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.452 -14.167 -6.114 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.306 -13.822 -7.672 1.00 0.00 H new ATOM 790 N THR A 55 -5.478 -11.272 -2.711 1.00 0.00 N ATOM 791 CA THR A 55 -5.183 -10.541 -1.491 1.00 0.00 C ATOM 792 C THR A 55 -3.673 -10.499 -1.245 1.00 0.00 C ATOM 793 O THR A 55 -2.889 -10.894 -2.107 1.00 0.00 O ATOM 794 CB THR A 55 -5.966 -11.192 -0.349 1.00 0.00 C ATOM 795 OG1 THR A 55 -5.642 -12.576 -0.450 1.00 0.00 O ATOM 796 CG2 THR A 55 -7.478 -11.146 -0.574 1.00 0.00 C ATOM 0 H THR A 55 -5.573 -12.280 -2.591 1.00 0.00 H new ATOM 0 HA THR A 55 -5.497 -9.500 -1.569 1.00 0.00 H new ATOM 0 HB THR A 55 -5.724 -10.691 0.588 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.038 -12.825 0.280 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.985 -11.621 0.266 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.803 -10.109 -0.654 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.725 -11.675 -1.494 1.00 0.00 H new ATOM 804 N LEU A 56 -3.310 -10.016 -0.066 1.00 0.00 N ATOM 805 CA LEU A 56 -1.908 -9.917 0.303 1.00 0.00 C ATOM 806 C LEU A 56 -1.337 -11.323 0.500 1.00 0.00 C ATOM 807 O LEU A 56 -0.210 -11.600 0.094 1.00 0.00 O ATOM 808 CB LEU A 56 -1.738 -9.008 1.521 1.00 0.00 C ATOM 809 CG LEU A 56 -2.570 -7.723 1.521 1.00 0.00 C ATOM 810 CD1 LEU A 56 -2.309 -6.901 2.785 1.00 0.00 C ATOM 811 CD2 LEU A 56 -2.322 -6.910 0.247 1.00 0.00 C ATOM 0 H LEU A 56 -3.963 -9.689 0.646 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.335 -9.449 -0.497 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.989 -9.580 2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.686 -8.736 1.602 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.625 -7.998 1.528 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.912 -5.994 2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.575 -7.489 3.663 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.253 -6.634 2.834 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.925 -6.002 0.272 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.267 -6.643 0.185 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.598 -7.505 -0.624 1.00 0.00 H new ATOM 822 N SER A 57 -2.140 -12.171 1.124 1.00 0.00 N ATOM 823 CA SER A 57 -1.729 -13.541 1.381 1.00 0.00 C ATOM 824 C SER A 57 -1.418 -14.250 0.060 1.00 0.00 C ATOM 825 O SER A 57 -0.347 -14.833 -0.098 1.00 0.00 O ATOM 826 CB SER A 57 -2.807 -14.305 2.151 1.00 0.00 C ATOM 827 OG SER A 57 -4.064 -14.279 1.480 1.00 0.00 O ATOM 0 H SER A 57 -3.074 -11.936 1.460 1.00 0.00 H new ATOM 0 HA SER A 57 -0.829 -13.518 1.996 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.491 -15.339 2.287 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.918 -13.872 3.145 1.00 0.00 H new ATOM 0 HG SER A 57 -4.715 -13.787 2.023 1.00 0.00 H new ATOM 832 N ASP A 58 -2.375 -14.175 -0.855 1.00 0.00 N ATOM 833 CA ASP A 58 -2.215 -14.802 -2.155 1.00 0.00 C ATOM 834 C ASP A 58 -0.937 -14.281 -2.815 1.00 0.00 C ATOM 835 O ASP A 58 -0.362 -14.948 -3.674 1.00 0.00 O ATOM 836 CB ASP A 58 -3.392 -14.468 -3.075 1.00 0.00 C ATOM 837 CG ASP A 58 -4.216 -15.672 -3.534 1.00 0.00 C ATOM 838 OD1 ASP A 58 -3.592 -16.619 -4.060 1.00 0.00 O ATOM 839 OD2 ASP A 58 -5.451 -15.618 -3.350 1.00 0.00 O ATOM 0 H ASP A 58 -3.262 -13.690 -0.721 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.167 -15.881 -2.006 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.052 -13.771 -2.558 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.010 -13.951 -3.955 1.00 0.00 H new ATOM 843 N TYR A 59 -0.530 -13.095 -2.389 1.00 0.00 N ATOM 844 CA TYR A 59 0.670 -12.478 -2.927 1.00 0.00 C ATOM 845 C TYR A 59 1.884 -12.779 -2.046 1.00 0.00 C ATOM 846 O TYR A 59 2.991 -12.322 -2.331 1.00 0.00 O ATOM 847 CB TYR A 59 0.408 -10.970 -2.918 1.00 0.00 C ATOM 848 CG TYR A 59 -0.426 -10.476 -4.101 1.00 0.00 C ATOM 849 CD1 TYR A 59 -1.424 -11.273 -4.623 1.00 0.00 C ATOM 850 CD2 TYR A 59 -0.180 -9.232 -4.647 1.00 0.00 C ATOM 851 CE1 TYR A 59 -2.209 -10.808 -5.737 1.00 0.00 C ATOM 852 CE2 TYR A 59 -0.965 -8.767 -5.760 1.00 0.00 C ATOM 853 CZ TYR A 59 -1.941 -9.577 -6.250 1.00 0.00 C ATOM 854 OH TYR A 59 -2.682 -9.138 -7.301 1.00 0.00 O ATOM 0 H TYR A 59 -1.010 -12.545 -1.677 1.00 0.00 H new ATOM 0 HA TYR A 59 0.884 -12.859 -3.925 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.102 -10.706 -1.992 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.364 -10.446 -2.916 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.617 -12.246 -4.196 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.601 -8.608 -4.239 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.992 -11.422 -6.156 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.783 -7.796 -6.196 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.385 -8.537 -6.977 1.00 0.00 H new ATOM 863 N ASN A 60 1.637 -13.546 -0.994 1.00 0.00 N ATOM 864 CA ASN A 60 2.696 -13.912 -0.070 1.00 0.00 C ATOM 865 C ASN A 60 3.110 -12.682 0.738 1.00 0.00 C ATOM 866 O ASN A 60 4.213 -12.634 1.282 1.00 0.00 O ATOM 867 CB ASN A 60 3.928 -14.423 -0.819 1.00 0.00 C ATOM 868 CG ASN A 60 4.202 -15.891 -0.488 1.00 0.00 C ATOM 869 OD1 ASN A 60 4.078 -16.776 -1.320 1.00 0.00 O ATOM 870 ND2 ASN A 60 4.580 -16.101 0.769 1.00 0.00 N ATOM 0 H ASN A 60 0.719 -13.924 -0.761 1.00 0.00 H new ATOM 0 HA ASN A 60 2.318 -14.700 0.581 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.778 -14.311 -1.893 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.796 -13.819 -0.554 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.786 -17.048 1.088 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.664 -15.316 1.414 1.00 0.00 H new ATOM 876 N ILE A 61 2.205 -11.715 0.793 1.00 0.00 N ATOM 877 CA ILE A 61 2.463 -10.488 1.525 1.00 0.00 C ATOM 878 C ILE A 61 2.150 -10.708 3.006 1.00 0.00 C ATOM 879 O ILE A 61 1.011 -10.533 3.437 1.00 0.00 O ATOM 880 CB ILE A 61 1.696 -9.319 0.902 1.00 0.00 C ATOM 881 CG1 ILE A 61 2.329 -8.895 -0.425 1.00 0.00 C ATOM 882 CG2 ILE A 61 1.583 -8.151 1.883 1.00 0.00 C ATOM 883 CD1 ILE A 61 1.352 -8.057 -1.254 1.00 0.00 C ATOM 0 H ILE A 61 1.291 -11.758 0.342 1.00 0.00 H new ATOM 0 HA ILE A 61 3.517 -10.219 1.457 1.00 0.00 H new ATOM 0 HB ILE A 61 0.682 -9.653 0.683 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.235 -8.320 -0.233 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.626 -9.779 -0.990 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.034 -7.334 1.415 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.054 -8.478 2.778 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.581 -7.807 2.156 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.826 -7.768 -2.192 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.458 -8.643 -1.465 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.076 -7.162 -0.696 1.00 0.00 H new ATOM 894 N GLN A 62 3.182 -11.088 3.746 1.00 0.00 N ATOM 895 CA GLN A 62 3.031 -11.334 5.170 1.00 0.00 C ATOM 896 C GLN A 62 3.018 -10.010 5.939 1.00 0.00 C ATOM 897 O GLN A 62 3.006 -8.939 5.337 1.00 0.00 O ATOM 898 CB GLN A 62 4.135 -12.257 5.687 1.00 0.00 C ATOM 899 CG GLN A 62 3.861 -13.711 5.297 1.00 0.00 C ATOM 900 CD GLN A 62 4.419 -14.675 6.346 1.00 0.00 C ATOM 901 OE1 GLN A 62 5.606 -14.713 6.624 1.00 0.00 O ATOM 902 NE2 GLN A 62 3.498 -15.452 6.910 1.00 0.00 N ATOM 0 H GLN A 62 4.126 -11.231 3.386 1.00 0.00 H new ATOM 0 HA GLN A 62 2.077 -11.836 5.333 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.097 -11.943 5.281 1.00 0.00 H new ATOM 0 HB3 GLN A 62 4.205 -12.175 6.772 1.00 0.00 H new ATOM 0 HG2 GLN A 62 2.787 -13.866 5.190 1.00 0.00 H new ATOM 0 HG3 GLN A 62 4.312 -13.922 4.327 1.00 0.00 H new ATOM 0 HE21 GLN A 62 2.520 -15.369 6.631 1.00 0.00 H new ATOM 0 HE22 GLN A 62 3.770 -16.131 7.621 1.00 0.00 H new ATOM 909 N LYS A 63 3.020 -10.130 7.259 1.00 0.00 N ATOM 910 CA LYS A 63 3.009 -8.957 8.116 1.00 0.00 C ATOM 911 C LYS A 63 4.382 -8.281 8.067 1.00 0.00 C ATOM 912 O LYS A 63 5.367 -8.899 7.666 1.00 0.00 O ATOM 913 CB LYS A 63 2.558 -9.330 9.529 1.00 0.00 C ATOM 914 CG LYS A 63 3.350 -8.552 10.582 1.00 0.00 C ATOM 915 CD LYS A 63 2.965 -8.993 11.995 1.00 0.00 C ATOM 916 CE LYS A 63 4.052 -8.615 13.002 1.00 0.00 C ATOM 917 NZ LYS A 63 3.848 -9.333 14.280 1.00 0.00 N ATOM 0 H LYS A 63 3.029 -11.021 7.755 1.00 0.00 H new ATOM 0 HA LYS A 63 2.282 -8.229 7.756 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.494 -9.121 9.642 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.691 -10.400 9.686 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.418 -8.707 10.427 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.163 -7.484 10.467 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.022 -8.528 12.281 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.807 -10.071 12.013 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.033 -8.858 12.595 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.036 -7.539 13.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.595 -9.065 14.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.920 -9.081 14.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.886 -10.359 14.112 1.00 0.00 H new ATOM 927 N GLU A 64 4.402 -7.023 8.481 1.00 0.00 N ATOM 928 CA GLU A 64 5.637 -6.258 8.489 1.00 0.00 C ATOM 929 C GLU A 64 6.254 -6.230 7.090 1.00 0.00 C ATOM 930 O GLU A 64 7.475 -6.245 6.945 1.00 0.00 O ATOM 931 CB GLU A 64 6.625 -6.822 9.513 1.00 0.00 C ATOM 932 CG GLU A 64 6.087 -6.668 10.937 1.00 0.00 C ATOM 933 CD GLU A 64 6.343 -5.258 11.471 1.00 0.00 C ATOM 934 OE1 GLU A 64 7.528 -4.953 11.723 1.00 0.00 O ATOM 935 OE2 GLU A 64 5.347 -4.515 11.615 1.00 0.00 O ATOM 0 H GLU A 64 3.583 -6.514 8.813 1.00 0.00 H new ATOM 0 HA GLU A 64 5.405 -5.234 8.782 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.811 -7.875 9.303 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.581 -6.306 9.424 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.017 -6.877 10.950 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.562 -7.400 11.590 1.00 0.00 H new ATOM 940 N SER A 65 5.380 -6.189 6.094 1.00 0.00 N ATOM 941 CA SER A 65 5.824 -6.160 4.711 1.00 0.00 C ATOM 942 C SER A 65 6.237 -4.738 4.324 1.00 0.00 C ATOM 943 O SER A 65 5.928 -3.783 5.036 1.00 0.00 O ATOM 944 CB SER A 65 4.730 -6.669 3.771 1.00 0.00 C ATOM 945 OG SER A 65 3.993 -5.602 3.181 1.00 0.00 O ATOM 0 H SER A 65 4.368 -6.175 6.218 1.00 0.00 H new ATOM 0 HA SER A 65 6.685 -6.821 4.614 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.181 -7.276 2.986 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.050 -7.317 4.324 1.00 0.00 H new ATOM 0 HG SER A 65 3.673 -5.875 2.296 1.00 0.00 H new ATOM 950 N THR A 66 6.928 -4.642 3.198 1.00 0.00 N ATOM 951 CA THR A 66 7.385 -3.353 2.709 1.00 0.00 C ATOM 952 C THR A 66 7.034 -3.189 1.228 1.00 0.00 C ATOM 953 O THR A 66 7.719 -3.731 0.361 1.00 0.00 O ATOM 954 CB THR A 66 8.884 -3.245 2.993 1.00 0.00 C ATOM 955 OG1 THR A 66 8.997 -3.543 4.382 1.00 0.00 O ATOM 956 CG2 THR A 66 9.400 -1.808 2.879 1.00 0.00 C ATOM 0 H THR A 66 7.182 -5.436 2.610 1.00 0.00 H new ATOM 0 HA THR A 66 6.882 -2.534 3.223 1.00 0.00 H new ATOM 0 HB THR A 66 9.431 -3.884 2.300 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.938 -3.497 4.651 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.469 -1.787 3.090 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.222 -1.437 1.870 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.876 -1.175 3.596 1.00 0.00 H new ATOM 964 N LEU A 67 5.969 -2.440 0.985 1.00 0.00 N ATOM 965 CA LEU A 67 5.520 -2.198 -0.376 1.00 0.00 C ATOM 966 C LEU A 67 6.275 -1.000 -0.953 1.00 0.00 C ATOM 967 O LEU A 67 6.835 -0.197 -0.208 1.00 0.00 O ATOM 968 CB LEU A 67 3.998 -2.044 -0.417 1.00 0.00 C ATOM 969 CG LEU A 67 3.189 -3.218 0.138 1.00 0.00 C ATOM 970 CD1 LEU A 67 3.820 -4.554 -0.256 1.00 0.00 C ATOM 971 CD2 LEU A 67 3.011 -3.094 1.653 1.00 0.00 C ATOM 0 H LEU A 67 5.404 -1.993 1.707 1.00 0.00 H new ATOM 0 HA LEU A 67 5.749 -3.054 -1.011 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.728 -1.147 0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.697 -1.878 -1.452 1.00 0.00 H new ATOM 0 HG LEU A 67 2.195 -3.187 -0.307 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.225 -5.372 0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.852 -4.635 -1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.833 -4.609 0.142 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.433 -3.941 2.022 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.989 -3.085 2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.485 -2.168 1.883 1.00 0.00 H new ATOM 982 N HIS A 68 6.267 -0.917 -2.275 1.00 0.00 N ATOM 983 CA HIS A 68 6.945 0.170 -2.961 1.00 0.00 C ATOM 984 C HIS A 68 5.910 1.086 -3.619 1.00 0.00 C ATOM 985 O HIS A 68 5.094 0.632 -4.419 1.00 0.00 O ATOM 986 CB HIS A 68 7.975 -0.371 -3.954 1.00 0.00 C ATOM 987 CG HIS A 68 9.259 -0.840 -3.313 1.00 0.00 C ATOM 988 ND1 HIS A 68 10.437 -0.117 -3.379 1.00 0.00 N ATOM 989 CD2 HIS A 68 9.536 -1.963 -2.590 1.00 0.00 C ATOM 990 CE1 HIS A 68 11.376 -0.786 -2.725 1.00 0.00 C ATOM 991 NE2 HIS A 68 10.815 -1.929 -2.238 1.00 0.00 N ATOM 0 H HIS A 68 5.802 -1.585 -2.890 1.00 0.00 H new ATOM 0 HA HIS A 68 7.502 0.768 -2.240 1.00 0.00 H new ATOM 0 HB2 HIS A 68 7.532 -1.200 -4.505 1.00 0.00 H new ATOM 0 HB3 HIS A 68 8.207 0.407 -4.681 1.00 0.00 H new ATOM 0 HD2 HIS A 68 8.834 -2.746 -2.346 1.00 0.00 H new ATOM 0 HE1 HIS A 68 12.404 -0.480 -2.600 1.00 0.00 H new ATOM 0 HE2 HIS A 68 11.299 -2.642 -1.692 1.00 0.00 H new ATOM 998 N LEU A 69 5.979 2.359 -3.258 1.00 0.00 N ATOM 999 CA LEU A 69 5.060 3.342 -3.804 1.00 0.00 C ATOM 1000 C LEU A 69 5.597 3.849 -5.143 1.00 0.00 C ATOM 1001 O LEU A 69 6.447 3.206 -5.759 1.00 0.00 O ATOM 1002 CB LEU A 69 4.797 4.454 -2.785 1.00 0.00 C ATOM 1003 CG LEU A 69 3.365 4.555 -2.257 1.00 0.00 C ATOM 1004 CD1 LEU A 69 3.249 5.649 -1.194 1.00 0.00 C ATOM 1005 CD2 LEU A 69 2.370 4.760 -3.402 1.00 0.00 C ATOM 0 H LEU A 69 6.657 2.732 -2.594 1.00 0.00 H new ATOM 0 HA LEU A 69 4.090 2.887 -4.002 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.466 4.308 -1.937 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.063 5.408 -3.241 1.00 0.00 H new ATOM 0 HG LEU A 69 3.111 3.610 -1.776 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.221 5.700 -0.835 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.913 5.419 -0.361 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.530 6.609 -1.627 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.360 4.828 -2.998 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.612 5.680 -3.933 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.429 3.917 -4.091 1.00 0.00 H new ATOM 1016 N VAL A 70 5.082 4.998 -5.556 1.00 0.00 N ATOM 1017 CA VAL A 70 5.499 5.599 -6.811 1.00 0.00 C ATOM 1018 C VAL A 70 5.521 7.122 -6.660 1.00 0.00 C ATOM 1019 O VAL A 70 5.044 7.656 -5.660 1.00 0.00 O ATOM 1020 CB VAL A 70 4.592 5.123 -7.947 1.00 0.00 C ATOM 1021 CG1 VAL A 70 5.060 3.773 -8.493 1.00 0.00 C ATOM 1022 CG2 VAL A 70 3.133 5.055 -7.491 1.00 0.00 C ATOM 0 H VAL A 70 4.379 5.529 -5.043 1.00 0.00 H new ATOM 0 HA VAL A 70 6.510 5.283 -7.068 1.00 0.00 H new ATOM 0 HB VAL A 70 4.657 5.851 -8.755 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.398 3.457 -9.299 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.077 3.867 -8.874 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.039 3.031 -7.695 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.509 4.714 -8.317 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.044 4.358 -6.658 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.805 6.045 -7.173 1.00 0.00 H new ATOM 1032 N LEU A 71 6.077 7.776 -7.668 1.00 0.00 N ATOM 1033 CA LEU A 71 6.167 9.226 -7.661 1.00 0.00 C ATOM 1034 C LEU A 71 4.835 9.813 -7.189 1.00 0.00 C ATOM 1035 O LEU A 71 3.809 9.134 -7.217 1.00 0.00 O ATOM 1036 CB LEU A 71 6.616 9.743 -9.028 1.00 0.00 C ATOM 1037 CG LEU A 71 5.846 9.203 -10.235 1.00 0.00 C ATOM 1038 CD1 LEU A 71 6.480 7.912 -10.758 1.00 0.00 C ATOM 1039 CD2 LEU A 71 4.364 9.019 -9.902 1.00 0.00 C ATOM 0 H LEU A 71 6.470 7.328 -8.496 1.00 0.00 H new ATOM 0 HA LEU A 71 6.930 9.556 -6.956 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.536 10.830 -9.028 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.671 9.501 -9.157 1.00 0.00 H new ATOM 0 HG LEU A 71 5.908 9.939 -11.036 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.913 7.550 -11.616 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.509 8.108 -11.060 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.470 7.157 -9.972 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.840 8.634 -10.777 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.261 8.313 -9.078 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.934 9.978 -9.614 1.00 0.00 H new ATOM 1050 N ARG A 72 4.893 11.067 -6.767 1.00 0.00 N ATOM 1051 CA ARG A 72 3.704 11.753 -6.289 1.00 0.00 C ATOM 1052 C ARG A 72 3.226 12.770 -7.327 1.00 0.00 C ATOM 1053 O ARG A 72 3.922 13.039 -8.305 1.00 0.00 O ATOM 1054 CB ARG A 72 3.976 12.472 -4.967 1.00 0.00 C ATOM 1055 CG ARG A 72 3.919 11.496 -3.790 1.00 0.00 C ATOM 1056 CD ARG A 72 3.031 12.041 -2.669 1.00 0.00 C ATOM 1057 NE ARG A 72 3.864 12.454 -1.518 1.00 0.00 N ATOM 1058 CZ ARG A 72 3.400 13.137 -0.462 1.00 0.00 C ATOM 1059 NH1 ARG A 72 2.108 13.486 -0.406 1.00 0.00 N ATOM 1060 NH2 ARG A 72 4.229 13.470 0.536 1.00 0.00 N ATOM 0 H ARG A 72 5.745 11.627 -6.746 1.00 0.00 H new ATOM 0 HA ARG A 72 2.930 11.002 -6.127 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.956 12.948 -5.003 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.242 13.265 -4.822 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.534 10.534 -4.129 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.925 11.321 -3.409 1.00 0.00 H new ATOM 0 HD2 ARG A 72 2.452 12.890 -3.033 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.317 11.279 -2.357 1.00 0.00 H new ATOM 0 HE ARG A 72 4.853 12.203 -1.529 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.478 13.232 -1.167 1.00 0.00 H new ATOM 0 HH12 ARG A 72 1.754 14.006 0.397 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.213 13.204 0.492 1.00 0.00 H new ATOM 0 HH22 ARG A 72 3.877 13.990 1.340 1.00 0.00 H new ATOM 1071 N LEU A 73 2.041 13.309 -7.078 1.00 0.00 N ATOM 1072 CA LEU A 73 1.461 14.291 -7.978 1.00 0.00 C ATOM 1073 C LEU A 73 2.413 15.481 -8.107 1.00 0.00 C ATOM 1074 O LEU A 73 3.538 15.440 -7.610 1.00 0.00 O ATOM 1075 CB LEU A 73 0.055 14.676 -7.518 1.00 0.00 C ATOM 1076 CG LEU A 73 -1.023 13.601 -7.682 1.00 0.00 C ATOM 1077 CD1 LEU A 73 -1.168 13.191 -9.149 1.00 0.00 C ATOM 1078 CD2 LEU A 73 -0.742 12.400 -6.777 1.00 0.00 C ATOM 0 H LEU A 73 1.467 13.084 -6.266 1.00 0.00 H new ATOM 0 HA LEU A 73 1.339 13.869 -8.975 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.103 14.957 -6.466 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.257 15.562 -8.071 1.00 0.00 H new ATOM 0 HG LEU A 73 -1.978 14.024 -7.369 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.940 12.426 -9.239 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.448 14.060 -9.744 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.220 12.794 -9.511 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.523 11.651 -6.913 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.225 11.968 -7.036 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.728 12.724 -5.736 1.00 0.00 H new ATOM 1089 N ARG A 74 1.928 16.517 -8.779 1.00 0.00 N ATOM 1090 CA ARG A 74 2.721 17.717 -8.980 1.00 0.00 C ATOM 1091 C ARG A 74 3.114 18.326 -7.632 1.00 0.00 C ATOM 1092 O ARG A 74 2.262 18.840 -6.909 1.00 0.00 O ATOM 1093 CB ARG A 74 1.951 18.756 -9.797 1.00 0.00 C ATOM 1094 CG ARG A 74 2.137 18.523 -11.298 1.00 0.00 C ATOM 1095 CD ARG A 74 1.349 17.296 -11.764 1.00 0.00 C ATOM 1096 NE ARG A 74 -0.095 17.613 -11.817 1.00 0.00 N ATOM 1097 CZ ARG A 74 -0.658 18.396 -12.747 1.00 0.00 C ATOM 1098 NH1 ARG A 74 0.097 18.946 -13.707 1.00 0.00 N ATOM 1099 NH2 ARG A 74 -1.978 18.628 -12.717 1.00 0.00 N ATOM 0 H ARG A 74 0.995 16.549 -9.191 1.00 0.00 H new ATOM 0 HA ARG A 74 3.619 17.433 -9.529 1.00 0.00 H new ATOM 0 HB2 ARG A 74 0.891 18.708 -9.547 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.295 19.757 -9.536 1.00 0.00 H new ATOM 0 HG2 ARG A 74 1.807 19.403 -11.850 1.00 0.00 H new ATOM 0 HG3 ARG A 74 3.195 18.386 -11.520 1.00 0.00 H new ATOM 0 HD2 ARG A 74 1.697 16.982 -12.748 1.00 0.00 H new ATOM 0 HD3 ARG A 74 1.522 16.462 -11.084 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.700 17.210 -11.101 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.101 18.769 -13.730 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -0.332 19.542 -14.415 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.553 18.209 -11.986 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -2.407 19.224 -13.425 1.00 0.00 H new ATOM 1110 N GLY A 75 4.403 18.248 -7.337 1.00 0.00 N ATOM 1111 CA GLY A 75 4.918 18.785 -6.088 1.00 0.00 C ATOM 1112 C GLY A 75 6.144 19.665 -6.335 1.00 0.00 C ATOM 1113 O GLY A 75 6.263 20.288 -7.389 1.00 0.00 O ATOM 0 H GLY A 75 5.106 17.822 -7.940 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.142 19.367 -5.591 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.182 17.967 -5.418 1.00 0.00 H new ATOM 1117 N GLY A 76 7.026 19.688 -5.346 1.00 0.00 N ATOM 1118 CA GLY A 76 8.239 20.482 -5.443 1.00 0.00 C ATOM 1119 C GLY A 76 9.449 19.599 -5.758 1.00 0.00 C ATOM 1120 O GLY A 76 9.999 18.953 -4.869 1.00 0.00 O ATOM 0 H GLY A 76 6.924 19.169 -4.474 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.123 21.237 -6.221 1.00 0.00 H new ATOM 0 HA3 GLY A 76 8.406 21.013 -4.506 1.00 0.00 H new TER 1124 GLY A 76