USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 460 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 60 ASN :FLIP amide:sc= 0.664 F(o=-0.91,f=0.71) USER MOD Set 1.2: A 62 GLN :FLIP amide:sc= 0.0513 F(o=-0.91,f=0.71) USER MOD Set 2.1: A 55 THR OG1 : rot -160:sc= 0.739 USER MOD Set 2.2: A 57 SER OG : rot -20:sc= 0.641 USER MOD Set 3.1: A 7 THR OG1 : rot -116:sc= -0.226! USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.177 USER MOD Single : A 2 GLN : amide:sc= -0.0742 X(o=-0.074,f=-0.074) 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 -1:sc= 0.637 USER MOD Single : A 14 THR OG1 : rot -0:sc= 0.0687 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0113 USER MOD Single : A 22 THR OG1 : rot 104:sc= 0.38 USER MOD Single : A 25 ASN :FLIP amide:sc= -0.862 F(o=-3.4!,f=-0.86) USER MOD Single : A 27 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.223) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -13.7! C(o=-14!,f=-21!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN :FLIP amide:sc= -1.15 F(o=-3.6,f=-1.1) USER MOD Single : A 41 GLN :FLIP amide:sc= -0.553 F(o=-1.3,f=-0.55) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN :FLIP amide:sc= -0.13 F(o=-0.72,f=-0.13) USER MOD Single : A 59 TYR OH : rot -15:sc= 0.0108 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -67:sc= -1.06! USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.78 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.0027) USER MOD ----------------------------------------------------------------- ATOM 16 N GLN A 2 0.316 -5.999 10.688 1.00 0.00 N ATOM 17 CA GLN A 2 0.832 -4.669 10.412 1.00 0.00 C ATOM 18 C GLN A 2 1.913 -4.733 9.332 1.00 0.00 C ATOM 19 O GLN A 2 2.783 -5.603 9.368 1.00 0.00 O ATOM 20 CB GLN A 2 1.370 -4.015 11.687 1.00 0.00 C ATOM 21 CG GLN A 2 0.754 -2.629 11.893 1.00 0.00 C ATOM 22 CD GLN A 2 0.934 -2.159 13.338 1.00 0.00 C ATOM 23 OE1 GLN A 2 -0.018 -1.960 14.076 1.00 0.00 O ATOM 24 NE2 GLN A 2 2.203 -1.992 13.698 1.00 0.00 N ATOM 0 HA GLN A 2 0.013 -4.052 10.043 1.00 0.00 H new ATOM 0 HB2 GLN A 2 1.147 -4.647 12.546 1.00 0.00 H new ATOM 0 HB3 GLN A 2 2.455 -3.930 11.627 1.00 0.00 H new ATOM 0 HG2 GLN A 2 1.220 -1.915 11.214 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -0.307 -2.658 11.646 1.00 0.00 H new ATOM 0 HE21 GLN A 2 2.951 -2.177 13.030 1.00 0.00 H new ATOM 0 HE22 GLN A 2 2.428 -1.679 14.642 1.00 0.00 H new ATOM 31 N ILE A 3 1.825 -3.800 8.395 1.00 0.00 N ATOM 32 CA ILE A 3 2.785 -3.740 7.306 1.00 0.00 C ATOM 33 C ILE A 3 3.256 -2.295 7.127 1.00 0.00 C ATOM 34 O ILE A 3 2.850 -1.409 7.876 1.00 0.00 O ATOM 35 CB ILE A 3 2.193 -4.356 6.035 1.00 0.00 C ATOM 36 CG1 ILE A 3 0.926 -3.614 5.605 1.00 0.00 C ATOM 37 CG2 ILE A 3 1.946 -5.854 6.217 1.00 0.00 C ATOM 38 CD1 ILE A 3 0.510 -4.016 4.189 1.00 0.00 C ATOM 0 H ILE A 3 1.104 -3.080 8.368 1.00 0.00 H new ATOM 0 HA ILE A 3 3.666 -4.337 7.541 1.00 0.00 H new ATOM 0 HB ILE A 3 2.920 -4.245 5.230 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.117 -3.834 6.302 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.098 -2.538 5.646 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.525 -6.267 5.300 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.888 -6.354 6.441 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.248 -6.010 7.039 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.393 -3.474 3.908 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.311 -3.773 3.491 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.315 -5.088 4.158 1.00 0.00 H new ATOM 49 N PHE A 4 4.106 -2.103 6.129 1.00 0.00 N ATOM 50 CA PHE A 4 4.637 -0.782 5.842 1.00 0.00 C ATOM 51 C PHE A 4 4.583 -0.482 4.342 1.00 0.00 C ATOM 52 O PHE A 4 4.423 -1.392 3.529 1.00 0.00 O ATOM 53 CB PHE A 4 6.097 -0.777 6.299 1.00 0.00 C ATOM 54 CG PHE A 4 6.304 -1.286 7.726 1.00 0.00 C ATOM 55 CD1 PHE A 4 5.816 -0.577 8.779 1.00 0.00 C ATOM 56 CD2 PHE A 4 6.976 -2.449 7.943 1.00 0.00 C ATOM 57 CE1 PHE A 4 6.009 -1.050 10.104 1.00 0.00 C ATOM 58 CE2 PHE A 4 7.168 -2.922 9.268 1.00 0.00 C ATOM 59 CZ PHE A 4 6.680 -2.212 10.320 1.00 0.00 C ATOM 0 H PHE A 4 4.440 -2.841 5.509 1.00 0.00 H new ATOM 0 HA PHE A 4 4.047 -0.025 6.358 1.00 0.00 H new ATOM 0 HB2 PHE A 4 6.683 -1.392 5.616 1.00 0.00 H new ATOM 0 HB3 PHE A 4 6.486 0.239 6.226 1.00 0.00 H new ATOM 0 HD1 PHE A 4 5.282 0.346 8.608 1.00 0.00 H new ATOM 0 HD2 PHE A 4 7.364 -3.013 7.107 1.00 0.00 H new ATOM 0 HE1 PHE A 4 5.623 -0.486 10.940 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.701 -3.845 9.440 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.826 -2.572 11.328 1.00 0.00 H new ATOM 68 N VAL A 5 4.719 0.795 4.021 1.00 0.00 N ATOM 69 CA VAL A 5 4.688 1.226 2.634 1.00 0.00 C ATOM 70 C VAL A 5 5.848 2.190 2.377 1.00 0.00 C ATOM 71 O VAL A 5 6.132 3.058 3.201 1.00 0.00 O ATOM 72 CB VAL A 5 3.323 1.831 2.304 1.00 0.00 C ATOM 73 CG1 VAL A 5 3.262 2.286 0.844 1.00 0.00 C ATOM 74 CG2 VAL A 5 2.195 0.847 2.619 1.00 0.00 C ATOM 0 H VAL A 5 4.851 1.546 4.698 1.00 0.00 H new ATOM 0 HA VAL A 5 4.820 0.374 1.967 1.00 0.00 H new ATOM 0 HB VAL A 5 3.186 2.710 2.934 1.00 0.00 H new ATOM 0 HG11 VAL A 5 2.280 2.712 0.636 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.030 3.039 0.665 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.432 1.431 0.189 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.236 1.303 2.375 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.327 -0.059 2.028 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.218 0.595 3.679 1.00 0.00 H new ATOM 84 N LYS A 6 6.487 2.006 1.231 1.00 0.00 N ATOM 85 CA LYS A 6 7.609 2.849 0.855 1.00 0.00 C ATOM 86 C LYS A 6 7.127 3.928 -0.116 1.00 0.00 C ATOM 87 O LYS A 6 5.934 4.219 -0.185 1.00 0.00 O ATOM 88 CB LYS A 6 8.758 1.999 0.310 1.00 0.00 C ATOM 89 CG LYS A 6 10.104 2.486 0.849 1.00 0.00 C ATOM 90 CD LYS A 6 11.132 1.353 0.864 1.00 0.00 C ATOM 91 CE LYS A 6 12.359 1.737 1.692 1.00 0.00 C ATOM 92 NZ LYS A 6 13.489 0.827 1.398 1.00 0.00 N ATOM 0 H LYS A 6 6.249 1.285 0.550 1.00 0.00 H new ATOM 0 HA LYS A 6 8.010 3.363 1.729 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.607 0.956 0.588 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.762 2.041 -0.779 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.471 3.307 0.232 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.975 2.878 1.858 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.679 0.451 1.276 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.436 1.119 -0.156 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.646 2.765 1.472 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.116 1.694 2.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.314 1.102 1.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.218 -0.150 1.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.731 0.889 0.388 1.00 0.00 H new ATOM 102 N THR A 7 8.081 4.495 -0.841 1.00 0.00 N ATOM 103 CA THR A 7 7.769 5.536 -1.804 1.00 0.00 C ATOM 104 C THR A 7 9.053 6.196 -2.312 1.00 0.00 C ATOM 105 O THR A 7 10.143 5.894 -1.827 1.00 0.00 O ATOM 106 CB THR A 7 6.801 6.519 -1.142 1.00 0.00 C ATOM 107 OG1 THR A 7 7.190 7.790 -1.658 1.00 0.00 O ATOM 108 CG2 THR A 7 7.033 6.643 0.365 1.00 0.00 C ATOM 0 H THR A 7 9.070 4.253 -0.780 1.00 0.00 H new ATOM 0 HA THR A 7 7.282 5.123 -2.687 1.00 0.00 H new ATOM 0 HB THR A 7 5.776 6.199 -1.327 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.522 8.352 -0.927 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.320 7.352 0.786 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.897 5.669 0.835 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.048 6.996 0.549 1.00 0.00 H new ATOM 116 N LEU A 8 8.882 7.085 -3.279 1.00 0.00 N ATOM 117 CA LEU A 8 10.014 7.790 -3.857 1.00 0.00 C ATOM 118 C LEU A 8 10.779 8.512 -2.747 1.00 0.00 C ATOM 119 O LEU A 8 11.931 8.903 -2.935 1.00 0.00 O ATOM 120 CB LEU A 8 9.551 8.712 -4.986 1.00 0.00 C ATOM 121 CG LEU A 8 8.774 8.045 -6.122 1.00 0.00 C ATOM 122 CD1 LEU A 8 8.256 9.085 -7.117 1.00 0.00 C ATOM 123 CD2 LEU A 8 9.620 6.968 -6.806 1.00 0.00 C ATOM 0 H LEU A 8 7.976 7.334 -3.677 1.00 0.00 H new ATOM 0 HA LEU A 8 10.708 7.086 -4.317 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.926 9.494 -4.556 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.427 9.202 -5.411 1.00 0.00 H new ATOM 0 HG LEU A 8 7.903 7.548 -5.695 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.707 8.584 -7.914 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.594 9.782 -6.603 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.097 9.631 -7.543 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.044 6.509 -7.610 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.522 7.421 -7.218 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.897 6.206 -6.078 1.00 0.00 H new ATOM 134 N THR A 9 10.110 8.667 -1.614 1.00 0.00 N ATOM 135 CA THR A 9 10.713 9.335 -0.474 1.00 0.00 C ATOM 136 C THR A 9 11.354 8.313 0.466 1.00 0.00 C ATOM 137 O THR A 9 11.900 8.678 1.506 1.00 0.00 O ATOM 138 CB THR A 9 9.635 10.187 0.199 1.00 0.00 C ATOM 139 OG1 THR A 9 8.563 9.276 0.425 1.00 0.00 O ATOM 140 CG2 THR A 9 9.041 11.235 -0.745 1.00 0.00 C ATOM 0 H THR A 9 9.156 8.341 -1.461 1.00 0.00 H new ATOM 0 HA THR A 9 11.523 9.995 -0.785 1.00 0.00 H new ATOM 0 HB THR A 9 10.059 10.684 1.072 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.821 9.745 0.860 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.281 11.812 -0.217 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.830 11.904 -1.089 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.588 10.737 -1.602 1.00 0.00 H new ATOM 148 N GLY A 10 11.267 7.053 0.066 1.00 0.00 N ATOM 149 CA GLY A 10 11.833 5.975 0.859 1.00 0.00 C ATOM 150 C GLY A 10 11.475 6.137 2.338 1.00 0.00 C ATOM 151 O GLY A 10 12.350 6.368 3.170 1.00 0.00 O ATOM 0 H GLY A 10 10.813 6.754 -0.797 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.463 5.017 0.494 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.917 5.963 0.742 1.00 0.00 H new ATOM 155 N LYS A 11 10.187 6.009 2.620 1.00 0.00 N ATOM 156 CA LYS A 11 9.703 6.140 3.984 1.00 0.00 C ATOM 157 C LYS A 11 9.018 4.837 4.403 1.00 0.00 C ATOM 158 O LYS A 11 9.111 3.830 3.704 1.00 0.00 O ATOM 159 CB LYS A 11 8.811 7.375 4.121 1.00 0.00 C ATOM 160 CG LYS A 11 9.430 8.394 5.080 1.00 0.00 C ATOM 161 CD LYS A 11 8.652 9.711 5.058 1.00 0.00 C ATOM 162 CE LYS A 11 7.366 9.602 5.881 1.00 0.00 C ATOM 163 NZ LYS A 11 7.439 10.475 7.074 1.00 0.00 N ATOM 0 H LYS A 11 9.464 5.816 1.927 1.00 0.00 H new ATOM 0 HA LYS A 11 10.535 6.300 4.670 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.665 7.833 3.143 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.827 7.079 4.485 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.437 7.989 6.092 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.468 8.576 4.802 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.275 10.512 5.455 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.408 9.976 4.029 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.510 9.884 5.268 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.211 8.568 6.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.559 10.389 7.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.244 10.187 7.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.565 11.463 6.774 1.00 0.00 H new ATOM 173 N THR A 12 8.344 4.900 5.543 1.00 0.00 N ATOM 174 CA THR A 12 7.644 3.738 6.064 1.00 0.00 C ATOM 175 C THR A 12 6.428 4.173 6.885 1.00 0.00 C ATOM 176 O THR A 12 6.565 4.899 7.868 1.00 0.00 O ATOM 177 CB THR A 12 8.646 2.899 6.859 1.00 0.00 C ATOM 178 OG1 THR A 12 9.453 2.282 5.861 1.00 0.00 O ATOM 179 CG2 THR A 12 7.983 1.725 7.582 1.00 0.00 C ATOM 0 H THR A 12 8.268 5.738 6.120 1.00 0.00 H new ATOM 0 HA THR A 12 7.249 3.120 5.258 1.00 0.00 H new ATOM 0 HB THR A 12 9.153 3.533 7.586 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.135 2.547 4.973 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.738 1.162 8.131 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.234 2.103 8.279 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.503 1.072 6.852 1.00 0.00 H new ATOM 187 N ILE A 13 5.265 3.710 6.450 1.00 0.00 N ATOM 188 CA ILE A 13 4.026 4.041 7.132 1.00 0.00 C ATOM 189 C ILE A 13 3.374 2.757 7.649 1.00 0.00 C ATOM 190 O ILE A 13 3.173 1.810 6.891 1.00 0.00 O ATOM 191 CB ILE A 13 3.117 4.868 6.220 1.00 0.00 C ATOM 192 CG1 ILE A 13 3.079 4.283 4.807 1.00 0.00 C ATOM 193 CG2 ILE A 13 3.533 6.340 6.220 1.00 0.00 C ATOM 194 CD1 ILE A 13 4.161 4.909 3.926 1.00 0.00 C ATOM 0 H ILE A 13 5.155 3.108 5.634 1.00 0.00 H new ATOM 0 HA ILE A 13 4.225 4.669 8.000 1.00 0.00 H new ATOM 0 HB ILE A 13 2.102 4.820 6.615 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.222 3.203 4.853 1.00 0.00 H new ATOM 0 HG13 ILE A 13 2.098 4.457 4.364 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.871 6.905 5.564 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.466 6.737 7.233 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.559 6.428 5.863 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.112 4.476 2.927 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.001 5.985 3.863 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.142 4.713 4.359 1.00 0.00 H new ATOM 205 N THR A 14 3.062 2.767 8.936 1.00 0.00 N ATOM 206 CA THR A 14 2.437 1.615 9.564 1.00 0.00 C ATOM 207 C THR A 14 0.944 1.574 9.238 1.00 0.00 C ATOM 208 O THR A 14 0.278 2.609 9.225 1.00 0.00 O ATOM 209 CB THR A 14 2.729 1.677 11.065 1.00 0.00 C ATOM 210 OG1 THR A 14 3.889 0.865 11.227 1.00 0.00 O ATOM 211 CG2 THR A 14 1.660 0.969 11.900 1.00 0.00 C ATOM 0 H THR A 14 3.230 3.555 9.562 1.00 0.00 H new ATOM 0 HA THR A 14 2.848 0.683 9.176 1.00 0.00 H new ATOM 0 HB THR A 14 2.802 2.719 11.377 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.158 0.502 10.357 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.916 1.043 12.957 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.692 1.440 11.727 1.00 0.00 H new ATOM 0 HG23 THR A 14 1.609 -0.081 11.612 1.00 0.00 H new ATOM 219 N LEU A 15 0.459 0.368 8.980 1.00 0.00 N ATOM 220 CA LEU A 15 -0.944 0.179 8.654 1.00 0.00 C ATOM 221 C LEU A 15 -1.387 -1.212 9.111 1.00 0.00 C ATOM 222 O LEU A 15 -0.558 -2.039 9.487 1.00 0.00 O ATOM 223 CB LEU A 15 -1.190 0.445 7.167 1.00 0.00 C ATOM 224 CG LEU A 15 -1.914 1.750 6.829 1.00 0.00 C ATOM 225 CD1 LEU A 15 -1.028 2.666 5.984 1.00 0.00 C ATOM 226 CD2 LEU A 15 -3.259 1.471 6.155 1.00 0.00 C ATOM 0 H LEU A 15 1.013 -0.488 8.990 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.559 0.902 9.189 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.228 0.443 6.654 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.769 -0.384 6.761 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.123 2.276 7.760 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.567 3.586 5.758 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.119 2.904 6.537 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.765 2.162 5.054 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.753 2.415 5.925 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.095 0.913 5.233 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.888 0.886 6.826 1.00 0.00 H new ATOM 237 N GLU A 16 -2.693 -1.429 9.062 1.00 0.00 N ATOM 238 CA GLU A 16 -3.256 -2.706 9.467 1.00 0.00 C ATOM 239 C GLU A 16 -4.182 -3.246 8.377 1.00 0.00 C ATOM 240 O GLU A 16 -5.078 -2.541 7.913 1.00 0.00 O ATOM 241 CB GLU A 16 -3.993 -2.582 10.802 1.00 0.00 C ATOM 242 CG GLU A 16 -5.124 -1.556 10.710 1.00 0.00 C ATOM 243 CD GLU A 16 -4.864 -0.369 11.639 1.00 0.00 C ATOM 244 OE1 GLU A 16 -3.751 0.191 11.547 1.00 0.00 O ATOM 245 OE2 GLU A 16 -5.786 -0.047 12.421 1.00 0.00 O ATOM 0 H GLU A 16 -3.378 -0.742 8.748 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.439 -3.414 9.606 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.399 -3.552 11.089 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.292 -2.287 11.583 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.218 -1.204 9.683 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.070 -2.028 10.973 1.00 0.00 H new ATOM 250 N VAL A 17 -3.937 -4.491 7.999 1.00 0.00 N ATOM 251 CA VAL A 17 -4.738 -5.135 6.971 1.00 0.00 C ATOM 252 C VAL A 17 -4.728 -6.648 7.197 1.00 0.00 C ATOM 253 O VAL A 17 -3.955 -7.154 8.007 1.00 0.00 O ATOM 254 CB VAL A 17 -4.231 -4.733 5.585 1.00 0.00 C ATOM 255 CG1 VAL A 17 -4.849 -3.408 5.137 1.00 0.00 C ATOM 256 CG2 VAL A 17 -2.703 -4.662 5.558 1.00 0.00 C ATOM 0 H VAL A 17 -3.194 -5.073 8.386 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.775 -4.805 7.031 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.543 -5.503 4.880 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.471 -3.146 4.149 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.934 -3.508 5.096 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.583 -2.624 5.846 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.370 -4.374 4.561 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.360 -3.923 6.283 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.289 -5.638 5.811 1.00 0.00 H new ATOM 266 N GLU A 18 -5.596 -7.329 6.463 1.00 0.00 N ATOM 267 CA GLU A 18 -5.698 -8.773 6.572 1.00 0.00 C ATOM 268 C GLU A 18 -5.025 -9.446 5.373 1.00 0.00 C ATOM 269 O GLU A 18 -4.873 -8.831 4.318 1.00 0.00 O ATOM 270 CB GLU A 18 -7.158 -9.213 6.699 1.00 0.00 C ATOM 271 CG GLU A 18 -7.538 -9.438 8.163 1.00 0.00 C ATOM 272 CD GLU A 18 -8.240 -10.785 8.347 1.00 0.00 C ATOM 273 OE1 GLU A 18 -7.516 -11.774 8.588 1.00 0.00 O ATOM 274 OE2 GLU A 18 -9.486 -10.795 8.242 1.00 0.00 O ATOM 0 H GLU A 18 -6.235 -6.906 5.790 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.179 -9.086 7.478 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.809 -8.455 6.263 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.315 -10.132 6.134 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.643 -9.403 8.784 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.192 -8.634 8.500 1.00 0.00 H new ATOM 279 N PRO A 19 -4.632 -10.731 5.580 1.00 0.00 N ATOM 280 CA PRO A 19 -3.980 -11.492 4.529 1.00 0.00 C ATOM 281 C PRO A 19 -4.987 -11.936 3.467 1.00 0.00 C ATOM 282 O PRO A 19 -4.601 -12.390 2.391 1.00 0.00 O ATOM 283 CB PRO A 19 -3.316 -12.659 5.242 1.00 0.00 C ATOM 284 CG PRO A 19 -4.004 -12.767 6.593 1.00 0.00 C ATOM 285 CD PRO A 19 -4.796 -11.490 6.816 1.00 0.00 C ATOM 0 HA PRO A 19 -3.243 -10.905 3.981 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.429 -13.581 4.671 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.246 -12.487 5.361 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.664 -13.634 6.617 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.269 -12.904 7.386 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.846 -11.705 7.012 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.418 -10.935 7.675 1.00 0.00 H new ATOM 290 N SER A 20 -6.259 -11.789 3.806 1.00 0.00 N ATOM 291 CA SER A 20 -7.326 -12.168 2.895 1.00 0.00 C ATOM 292 C SER A 20 -7.930 -10.921 2.247 1.00 0.00 C ATOM 293 O SER A 20 -8.955 -11.002 1.572 1.00 0.00 O ATOM 294 CB SER A 20 -8.411 -12.968 3.619 1.00 0.00 C ATOM 295 OG SER A 20 -8.418 -12.709 5.021 1.00 0.00 O ATOM 0 H SER A 20 -6.575 -11.412 4.700 1.00 0.00 H new ATOM 0 HA SER A 20 -6.901 -12.804 2.118 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.386 -12.720 3.199 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.252 -14.033 3.448 1.00 0.00 H new ATOM 0 HG SER A 20 -9.125 -13.237 5.448 1.00 0.00 H new ATOM 300 N ASP A 21 -7.269 -9.795 2.476 1.00 0.00 N ATOM 301 CA ASP A 21 -7.728 -8.532 1.922 1.00 0.00 C ATOM 302 C ASP A 21 -7.079 -8.315 0.554 1.00 0.00 C ATOM 303 O ASP A 21 -5.920 -8.671 0.348 1.00 0.00 O ATOM 304 CB ASP A 21 -7.334 -7.361 2.824 1.00 0.00 C ATOM 305 CG ASP A 21 -8.047 -7.319 4.178 1.00 0.00 C ATOM 306 OD1 ASP A 21 -9.013 -8.098 4.335 1.00 0.00 O ATOM 307 OD2 ASP A 21 -7.610 -6.511 5.024 1.00 0.00 O ATOM 0 H ASP A 21 -6.420 -9.731 3.037 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.814 -8.574 1.839 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.259 -7.402 2.998 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.537 -6.430 2.295 1.00 0.00 H new ATOM 311 N THR A 22 -7.855 -7.730 -0.347 1.00 0.00 N ATOM 312 CA THR A 22 -7.371 -7.460 -1.690 1.00 0.00 C ATOM 313 C THR A 22 -6.462 -6.229 -1.692 1.00 0.00 C ATOM 314 O THR A 22 -6.437 -5.470 -0.724 1.00 0.00 O ATOM 315 CB THR A 22 -8.584 -7.321 -2.612 1.00 0.00 C ATOM 316 OG1 THR A 22 -8.022 -7.001 -3.881 1.00 0.00 O ATOM 317 CG2 THR A 22 -9.445 -6.103 -2.268 1.00 0.00 C ATOM 0 H THR A 22 -8.816 -7.435 -0.173 1.00 0.00 H new ATOM 0 HA THR A 22 -6.756 -8.280 -2.060 1.00 0.00 H new ATOM 0 HB THR A 22 -9.191 -8.224 -2.550 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.048 -7.792 -4.459 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.292 -6.051 -2.952 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.810 -6.193 -1.245 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.847 -5.197 -2.362 1.00 0.00 H new ATOM 325 N ILE A 23 -5.739 -6.070 -2.790 1.00 0.00 N ATOM 326 CA ILE A 23 -4.832 -4.943 -2.931 1.00 0.00 C ATOM 327 C ILE A 23 -5.629 -3.639 -2.863 1.00 0.00 C ATOM 328 O ILE A 23 -5.492 -2.873 -1.911 1.00 0.00 O ATOM 329 CB ILE A 23 -3.994 -5.086 -4.203 1.00 0.00 C ATOM 330 CG1 ILE A 23 -3.235 -6.415 -4.214 1.00 0.00 C ATOM 331 CG2 ILE A 23 -3.056 -3.890 -4.380 1.00 0.00 C ATOM 332 CD1 ILE A 23 -2.397 -6.579 -2.944 1.00 0.00 C ATOM 0 H ILE A 23 -5.762 -6.702 -3.590 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.119 -4.923 -2.107 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.671 -5.094 -5.057 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.942 -7.241 -4.297 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.587 -6.461 -5.090 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.472 -4.017 -5.292 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.643 -2.974 -4.450 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.384 -3.825 -3.525 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.868 -7.531 -2.978 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.675 -5.765 -2.877 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.050 -6.557 -2.072 1.00 0.00 H new ATOM 343 N GLU A 24 -6.444 -3.428 -3.885 1.00 0.00 N ATOM 344 CA GLU A 24 -7.264 -2.230 -3.954 1.00 0.00 C ATOM 345 C GLU A 24 -7.690 -1.797 -2.549 1.00 0.00 C ATOM 346 O GLU A 24 -7.760 -0.604 -2.258 1.00 0.00 O ATOM 347 CB GLU A 24 -8.482 -2.449 -4.853 1.00 0.00 C ATOM 348 CG GLU A 24 -9.544 -1.376 -4.608 1.00 0.00 C ATOM 349 CD GLU A 24 -10.761 -1.593 -5.511 1.00 0.00 C ATOM 350 OE1 GLU A 24 -10.622 -1.328 -6.724 1.00 0.00 O ATOM 351 OE2 GLU A 24 -11.802 -2.019 -4.966 1.00 0.00 O ATOM 0 H GLU A 24 -6.555 -4.066 -4.673 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.668 -1.431 -4.395 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.175 -2.430 -5.899 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.906 -3.435 -4.663 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.853 -1.397 -3.563 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.119 -0.390 -4.795 1.00 0.00 H new ATOM 356 N ASN A 25 -7.963 -2.791 -1.716 1.00 0.00 N ATOM 357 CA ASN A 25 -8.380 -2.527 -0.350 1.00 0.00 C ATOM 358 C ASN A 25 -7.180 -2.029 0.459 1.00 0.00 C ATOM 359 O ASN A 25 -7.214 -0.932 1.013 1.00 0.00 O ATOM 360 CB ASN A 25 -8.906 -3.799 0.321 1.00 0.00 C ATOM 361 CG ASN A 25 -9.305 -3.529 1.773 1.00 0.00 C ATOM 362 OD1 ASN A 25 -8.274 -3.375 2.598 1.00 0.00 O flip ATOM 363 ND2 ASN A 25 -10.473 -3.465 2.121 1.00 0.00 N flip ATOM 0 H ASN A 25 -7.903 -3.779 -1.961 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.172 -1.779 -0.379 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.766 -4.177 -0.232 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.141 -4.574 0.289 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.217 -3.593 1.435 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.705 -3.284 3.098 1.00 0.00 H new ATOM 369 N VAL A 26 -6.148 -2.859 0.499 1.00 0.00 N ATOM 370 CA VAL A 26 -4.941 -2.517 1.230 1.00 0.00 C ATOM 371 C VAL A 26 -4.335 -1.242 0.637 1.00 0.00 C ATOM 372 O VAL A 26 -3.792 -0.413 1.365 1.00 0.00 O ATOM 373 CB VAL A 26 -3.970 -3.700 1.221 1.00 0.00 C ATOM 374 CG1 VAL A 26 -2.886 -3.528 2.287 1.00 0.00 C ATOM 375 CG2 VAL A 26 -4.717 -5.022 1.406 1.00 0.00 C ATOM 0 H VAL A 26 -6.123 -3.768 0.037 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.173 -2.312 2.275 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.480 -3.725 0.248 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.210 -4.382 2.259 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.325 -2.614 2.091 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.350 -3.465 3.271 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.005 -5.847 1.396 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.246 -5.011 2.359 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.434 -5.152 0.595 1.00 0.00 H new ATOM 385 N LYS A 27 -4.449 -1.127 -0.677 1.00 0.00 N ATOM 386 CA LYS A 27 -3.920 0.032 -1.377 1.00 0.00 C ATOM 387 C LYS A 27 -4.907 1.193 -1.248 1.00 0.00 C ATOM 388 O LYS A 27 -4.609 2.314 -1.659 1.00 0.00 O ATOM 389 CB LYS A 27 -3.577 -0.326 -2.824 1.00 0.00 C ATOM 390 CG LYS A 27 -3.850 0.854 -3.759 1.00 0.00 C ATOM 391 CD LYS A 27 -3.438 0.521 -5.195 1.00 0.00 C ATOM 392 CE LYS A 27 -4.610 -0.079 -5.976 1.00 0.00 C ATOM 393 NZ LYS A 27 -4.704 0.532 -7.321 1.00 0.00 N ATOM 0 H LYS A 27 -4.900 -1.818 -1.277 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.983 0.357 -0.924 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.528 -0.614 -2.892 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.165 -1.188 -3.139 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.910 1.108 -3.730 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.302 1.731 -3.414 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.087 1.424 -5.695 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.605 -0.182 -5.185 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.479 -1.157 -6.068 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.540 0.084 -5.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.119 -0.152 -7.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.305 1.379 -7.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.754 0.799 -7.648 1.00 0.00 H new ATOM 403 N ALA A 28 -6.062 0.886 -0.675 1.00 0.00 N ATOM 404 CA ALA A 28 -7.094 1.892 -0.486 1.00 0.00 C ATOM 405 C ALA A 28 -6.921 2.544 0.887 1.00 0.00 C ATOM 406 O ALA A 28 -6.960 3.768 1.006 1.00 0.00 O ATOM 407 CB ALA A 28 -8.471 1.247 -0.656 1.00 0.00 C ATOM 0 H ALA A 28 -6.306 -0.044 -0.336 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.006 2.678 -1.236 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.246 2.001 -0.514 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.554 0.825 -1.658 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.596 0.455 0.083 1.00 0.00 H new ATOM 413 N LYS A 29 -6.732 1.698 1.889 1.00 0.00 N ATOM 414 CA LYS A 29 -6.552 2.176 3.249 1.00 0.00 C ATOM 415 C LYS A 29 -5.674 3.429 3.232 1.00 0.00 C ATOM 416 O LYS A 29 -6.091 4.490 3.694 1.00 0.00 O ATOM 417 CB LYS A 29 -6.011 1.059 4.143 1.00 0.00 C ATOM 418 CG LYS A 29 -7.060 0.621 5.167 1.00 0.00 C ATOM 419 CD LYS A 29 -6.609 -0.639 5.909 1.00 0.00 C ATOM 420 CE LYS A 29 -7.801 -1.550 6.216 1.00 0.00 C ATOM 421 NZ LYS A 29 -8.534 -1.061 7.404 1.00 0.00 N ATOM 0 H LYS A 29 -6.700 0.684 1.786 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.510 2.463 3.682 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.718 0.207 3.530 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.115 1.403 4.659 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.234 1.426 5.882 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.008 0.431 4.664 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.879 -1.179 5.306 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.111 -0.360 6.838 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.471 -1.584 5.357 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.453 -2.568 6.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.339 -1.690 7.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.896 -1.051 8.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.883 -0.098 7.225 1.00 0.00 H new ATOM 431 N ILE A 30 -4.474 3.265 2.694 1.00 0.00 N ATOM 432 CA ILE A 30 -3.534 4.370 2.612 1.00 0.00 C ATOM 433 C ILE A 30 -4.245 5.597 2.039 1.00 0.00 C ATOM 434 O ILE A 30 -4.200 6.676 2.628 1.00 0.00 O ATOM 435 CB ILE A 30 -2.290 3.956 1.823 1.00 0.00 C ATOM 436 CG1 ILE A 30 -2.674 3.348 0.472 1.00 0.00 C ATOM 437 CG2 ILE A 30 -1.407 3.014 2.645 1.00 0.00 C ATOM 438 CD1 ILE A 30 -1.612 2.355 -0.003 1.00 0.00 C ATOM 0 H ILE A 30 -4.131 2.384 2.311 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.178 4.643 3.605 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.703 4.851 1.618 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.637 2.844 0.556 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.793 4.140 -0.267 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.530 2.735 2.061 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.090 3.517 3.558 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.972 2.118 2.902 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.909 1.937 -0.965 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.656 2.868 -0.109 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.513 1.551 0.727 1.00 0.00 H new ATOM 449 N GLN A 31 -4.885 5.392 0.897 1.00 0.00 N ATOM 450 CA GLN A 31 -5.604 6.469 0.238 1.00 0.00 C ATOM 451 C GLN A 31 -6.584 7.125 1.211 1.00 0.00 C ATOM 452 O GLN A 31 -6.954 8.286 1.037 1.00 0.00 O ATOM 453 CB GLN A 31 -6.329 5.960 -1.011 1.00 0.00 C ATOM 454 CG GLN A 31 -5.356 5.264 -1.965 1.00 0.00 C ATOM 455 CD GLN A 31 -4.215 6.203 -2.363 1.00 0.00 C ATOM 456 OE1 GLN A 31 -4.176 6.748 -3.454 1.00 0.00 O ATOM 457 NE2 GLN A 31 -3.289 6.359 -1.420 1.00 0.00 N ATOM 0 H GLN A 31 -4.921 4.496 0.411 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.882 7.220 -0.082 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -7.118 5.266 -0.720 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.810 6.794 -1.522 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.949 4.372 -1.489 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.889 4.934 -2.857 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.383 5.873 -0.528 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.486 6.964 -1.589 1.00 0.00 H new ATOM 464 N ASP A 32 -6.978 6.356 2.215 1.00 0.00 N ATOM 465 CA ASP A 32 -7.908 6.848 3.217 1.00 0.00 C ATOM 466 C ASP A 32 -7.122 7.457 4.381 1.00 0.00 C ATOM 467 O ASP A 32 -7.608 8.363 5.056 1.00 0.00 O ATOM 468 CB ASP A 32 -8.772 5.714 3.772 1.00 0.00 C ATOM 469 CG ASP A 32 -10.264 5.822 3.450 1.00 0.00 C ATOM 470 OD1 ASP A 32 -10.571 6.191 2.296 1.00 0.00 O ATOM 471 OD2 ASP A 32 -11.064 5.531 4.365 1.00 0.00 O ATOM 0 H ASP A 32 -6.670 5.394 2.356 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.550 7.592 2.744 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.399 4.768 3.381 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.651 5.681 4.855 1.00 0.00 H new ATOM 475 N LYS A 33 -5.921 6.934 4.579 1.00 0.00 N ATOM 476 CA LYS A 33 -5.064 7.414 5.650 1.00 0.00 C ATOM 477 C LYS A 33 -4.672 8.866 5.371 1.00 0.00 C ATOM 478 O LYS A 33 -4.825 9.731 6.232 1.00 0.00 O ATOM 479 CB LYS A 33 -3.867 6.480 5.838 1.00 0.00 C ATOM 480 CG LYS A 33 -4.246 5.271 6.696 1.00 0.00 C ATOM 481 CD LYS A 33 -4.066 5.577 8.185 1.00 0.00 C ATOM 482 CE LYS A 33 -5.409 5.539 8.917 1.00 0.00 C ATOM 483 NZ LYS A 33 -5.445 6.561 9.987 1.00 0.00 N ATOM 0 H LYS A 33 -5.521 6.183 4.016 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.599 7.404 6.599 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.508 6.143 4.866 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.048 7.023 6.309 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.282 4.992 6.501 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.629 4.416 6.419 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.384 4.852 8.630 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.609 6.559 8.306 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.220 5.715 8.210 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.569 4.550 9.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.363 6.522 10.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.683 6.376 10.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.314 7.505 9.570 1.00 0.00 H new ATOM 493 N GLU A 34 -4.173 9.089 4.163 1.00 0.00 N ATOM 494 CA GLU A 34 -3.758 10.422 3.759 1.00 0.00 C ATOM 495 C GLU A 34 -4.936 11.184 3.149 1.00 0.00 C ATOM 496 O GLU A 34 -5.462 12.113 3.759 1.00 0.00 O ATOM 497 CB GLU A 34 -2.581 10.357 2.783 1.00 0.00 C ATOM 498 CG GLU A 34 -2.611 9.058 1.975 1.00 0.00 C ATOM 499 CD GLU A 34 -1.883 7.935 2.716 1.00 0.00 C ATOM 500 OE1 GLU A 34 -2.016 7.896 3.958 1.00 0.00 O ATOM 501 OE2 GLU A 34 -1.211 7.140 2.024 1.00 0.00 O ATOM 0 H GLU A 34 -4.047 8.369 3.452 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.423 10.961 4.645 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.617 11.211 2.107 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.643 10.426 3.334 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.644 8.765 1.788 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.145 9.219 1.003 1.00 0.00 H new ATOM 506 N GLY A 35 -5.317 10.761 1.952 1.00 0.00 N ATOM 507 CA GLY A 35 -6.423 11.392 1.253 1.00 0.00 C ATOM 508 C GLY A 35 -6.091 11.595 -0.226 1.00 0.00 C ATOM 509 O GLY A 35 -6.394 12.643 -0.795 1.00 0.00 O ATOM 0 H GLY A 35 -4.879 9.989 1.449 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.317 10.776 1.348 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.649 12.354 1.714 1.00 0.00 H new ATOM 513 N ILE A 36 -5.474 10.577 -0.808 1.00 0.00 N ATOM 514 CA ILE A 36 -5.099 10.631 -2.210 1.00 0.00 C ATOM 515 C ILE A 36 -5.612 9.378 -2.921 1.00 0.00 C ATOM 516 O ILE A 36 -5.626 8.293 -2.340 1.00 0.00 O ATOM 517 CB ILE A 36 -3.590 10.845 -2.353 1.00 0.00 C ATOM 518 CG1 ILE A 36 -3.114 10.468 -3.757 1.00 0.00 C ATOM 519 CG2 ILE A 36 -2.824 10.087 -1.266 1.00 0.00 C ATOM 520 CD1 ILE A 36 -1.652 10.019 -3.738 1.00 0.00 C ATOM 0 H ILE A 36 -5.224 9.709 -0.333 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.567 11.487 -2.696 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.380 11.906 -2.215 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.739 9.668 -4.154 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.227 11.322 -4.425 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.754 10.256 -1.390 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.136 10.444 -0.285 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.035 9.021 -1.348 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.339 9.757 -4.749 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.027 10.830 -3.363 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.547 9.150 -3.088 1.00 0.00 H new ATOM 531 N PRO A 37 -6.033 9.573 -4.199 1.00 0.00 N ATOM 532 CA PRO A 37 -6.547 8.471 -4.994 1.00 0.00 C ATOM 533 C PRO A 37 -5.411 7.563 -5.470 1.00 0.00 C ATOM 534 O PRO A 37 -4.342 8.044 -5.845 1.00 0.00 O ATOM 535 CB PRO A 37 -7.300 9.129 -6.138 1.00 0.00 C ATOM 536 CG PRO A 37 -6.793 10.561 -6.203 1.00 0.00 C ATOM 537 CD PRO A 37 -6.032 10.844 -4.919 1.00 0.00 C ATOM 0 HA PRO A 37 -7.206 7.814 -4.427 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.117 8.607 -7.077 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.376 9.103 -5.963 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.145 10.698 -7.069 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.625 11.256 -6.315 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.016 11.181 -5.127 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.515 11.629 -4.337 1.00 0.00 H new ATOM 542 N PRO A 38 -5.689 6.232 -5.441 1.00 0.00 N ATOM 543 CA PRO A 38 -4.703 5.252 -5.865 1.00 0.00 C ATOM 544 C PRO A 38 -4.576 5.226 -7.389 1.00 0.00 C ATOM 545 O PRO A 38 -3.491 4.996 -7.921 1.00 0.00 O ATOM 546 CB PRO A 38 -5.187 3.932 -5.287 1.00 0.00 C ATOM 547 CG PRO A 38 -6.657 4.135 -4.958 1.00 0.00 C ATOM 548 CD PRO A 38 -6.943 5.627 -5.004 1.00 0.00 C ATOM 0 HA PRO A 38 -3.699 5.484 -5.509 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.055 3.121 -6.003 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.620 3.665 -4.395 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.285 3.604 -5.673 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.887 3.733 -3.971 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.754 5.853 -5.696 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.244 6.003 -4.026 1.00 0.00 H new ATOM 553 N ASP A 39 -5.699 5.467 -8.049 1.00 0.00 N ATOM 554 CA ASP A 39 -5.728 5.474 -9.502 1.00 0.00 C ATOM 555 C ASP A 39 -4.472 6.173 -10.028 1.00 0.00 C ATOM 556 O ASP A 39 -4.006 5.874 -11.126 1.00 0.00 O ATOM 557 CB ASP A 39 -6.947 6.236 -10.025 1.00 0.00 C ATOM 558 CG ASP A 39 -8.190 5.378 -10.269 1.00 0.00 C ATOM 559 OD1 ASP A 39 -8.003 4.213 -10.682 1.00 0.00 O ATOM 560 OD2 ASP A 39 -9.298 5.907 -10.039 1.00 0.00 O ATOM 0 H ASP A 39 -6.596 5.659 -7.604 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.776 4.440 -9.844 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.200 7.021 -9.312 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.675 6.729 -10.958 1.00 0.00 H new ATOM 564 N GLN A 40 -3.960 7.089 -9.219 1.00 0.00 N ATOM 565 CA GLN A 40 -2.767 7.831 -9.590 1.00 0.00 C ATOM 566 C GLN A 40 -1.516 6.993 -9.325 1.00 0.00 C ATOM 567 O GLN A 40 -0.772 6.672 -10.252 1.00 0.00 O ATOM 568 CB GLN A 40 -2.700 9.167 -8.845 1.00 0.00 C ATOM 569 CG GLN A 40 -3.446 10.261 -9.612 1.00 0.00 C ATOM 570 CD GLN A 40 -4.876 9.827 -9.935 1.00 0.00 C ATOM 571 OE1 GLN A 40 -5.523 9.287 -8.905 1.00 0.00 O flip ATOM 572 NE2 GLN A 40 -5.361 9.972 -11.045 1.00 0.00 N flip ATOM 0 H GLN A 40 -4.349 7.334 -8.309 1.00 0.00 H new ATOM 0 HA GLN A 40 -2.815 8.048 -10.657 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -3.133 9.055 -7.851 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.659 9.459 -8.708 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.465 11.176 -9.020 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -2.914 10.489 -10.536 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.809 10.394 -11.792 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -6.319 9.671 -11.226 1.00 0.00 H new ATOM 579 N GLN A 41 -1.321 6.661 -8.058 1.00 0.00 N ATOM 580 CA GLN A 41 -0.172 5.865 -7.660 1.00 0.00 C ATOM 581 C GLN A 41 -0.622 4.477 -7.200 1.00 0.00 C ATOM 582 O GLN A 41 -1.655 4.340 -6.547 1.00 0.00 O ATOM 583 CB GLN A 41 0.632 6.572 -6.567 1.00 0.00 C ATOM 584 CG GLN A 41 -0.284 7.072 -5.449 1.00 0.00 C ATOM 585 CD GLN A 41 0.531 7.614 -4.273 1.00 0.00 C ATOM 586 OE1 GLN A 41 0.051 7.277 -3.080 1.00 0.00 O flip ATOM 587 NE2 GLN A 41 1.531 8.294 -4.438 1.00 0.00 N flip ATOM 0 H GLN A 41 -1.940 6.929 -7.293 1.00 0.00 H new ATOM 0 HA GLN A 41 0.481 5.745 -8.525 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.373 5.887 -6.155 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.178 7.412 -6.998 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.939 7.854 -5.833 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.925 6.259 -5.108 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.846 8.517 -5.382 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.052 8.639 -3.632 1.00 0.00 H new ATOM 594 N ARG A 42 0.177 3.482 -7.558 1.00 0.00 N ATOM 595 CA ARG A 42 -0.126 2.109 -7.190 1.00 0.00 C ATOM 596 C ARG A 42 0.928 1.577 -6.216 1.00 0.00 C ATOM 597 O ARG A 42 2.004 2.156 -6.082 1.00 0.00 O ATOM 598 CB ARG A 42 -0.174 1.206 -8.423 1.00 0.00 C ATOM 599 CG ARG A 42 -1.341 1.587 -9.336 1.00 0.00 C ATOM 600 CD ARG A 42 -0.886 1.690 -10.794 1.00 0.00 C ATOM 601 NE ARG A 42 -2.032 2.051 -11.658 1.00 0.00 N ATOM 602 CZ ARG A 42 -1.916 2.454 -12.931 1.00 0.00 C ATOM 603 NH1 ARG A 42 -0.704 2.550 -13.495 1.00 0.00 N ATOM 604 NH2 ARG A 42 -3.012 2.761 -13.639 1.00 0.00 N ATOM 0 H ARG A 42 1.034 3.599 -8.099 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.105 2.102 -6.711 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.764 1.285 -8.973 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.275 0.166 -8.113 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -2.133 0.843 -9.250 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.763 2.539 -9.015 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.100 2.440 -10.886 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.460 0.741 -11.119 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.969 1.989 -11.260 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.130 2.316 -12.955 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.615 2.857 -14.464 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.934 2.688 -13.209 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.924 3.068 -14.608 1.00 0.00 H new ATOM 615 N LEU A 43 0.581 0.477 -5.563 1.00 0.00 N ATOM 616 CA LEU A 43 1.483 -0.141 -4.606 1.00 0.00 C ATOM 617 C LEU A 43 2.305 -1.221 -5.311 1.00 0.00 C ATOM 618 O LEU A 43 1.880 -1.763 -6.330 1.00 0.00 O ATOM 619 CB LEU A 43 0.706 -0.653 -3.392 1.00 0.00 C ATOM 620 CG LEU A 43 0.416 0.376 -2.298 1.00 0.00 C ATOM 621 CD1 LEU A 43 1.605 0.515 -1.345 1.00 0.00 C ATOM 622 CD2 LEU A 43 0.007 1.721 -2.903 1.00 0.00 C ATOM 0 H LEU A 43 -0.312 -0.002 -5.678 1.00 0.00 H new ATOM 0 HA LEU A 43 2.188 0.593 -4.217 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.243 -1.062 -3.739 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.265 -1.477 -2.949 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.428 0.018 -1.709 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.372 1.253 -0.577 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.808 -0.447 -0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.483 0.838 -1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.193 2.434 -2.103 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.814 2.098 -3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.892 1.590 -3.506 1.00 0.00 H new ATOM 633 N ILE A 44 3.468 -1.501 -4.741 1.00 0.00 N ATOM 634 CA ILE A 44 4.354 -2.506 -5.302 1.00 0.00 C ATOM 635 C ILE A 44 4.831 -3.438 -4.187 1.00 0.00 C ATOM 636 O ILE A 44 4.790 -3.078 -3.012 1.00 0.00 O ATOM 637 CB ILE A 44 5.493 -1.843 -6.080 1.00 0.00 C ATOM 638 CG1 ILE A 44 4.949 -0.854 -7.112 1.00 0.00 C ATOM 639 CG2 ILE A 44 6.406 -2.893 -6.716 1.00 0.00 C ATOM 640 CD1 ILE A 44 4.642 -1.558 -8.436 1.00 0.00 C ATOM 0 H ILE A 44 3.817 -1.049 -3.896 1.00 0.00 H new ATOM 0 HA ILE A 44 3.821 -3.122 -6.027 1.00 0.00 H new ATOM 0 HB ILE A 44 6.100 -1.272 -5.377 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.044 -0.383 -6.728 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.676 -0.059 -7.278 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.207 -2.395 -7.263 1.00 0.00 H new ATOM 0 HG22 ILE A 44 6.835 -3.522 -5.936 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.827 -3.511 -7.403 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.257 -0.833 -9.153 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.554 -2.007 -8.829 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.897 -2.336 -8.270 1.00 0.00 H new ATOM 651 N PHE A 45 5.273 -4.619 -4.595 1.00 0.00 N ATOM 652 CA PHE A 45 5.757 -5.606 -3.645 1.00 0.00 C ATOM 653 C PHE A 45 6.522 -6.724 -4.357 1.00 0.00 C ATOM 654 O PHE A 45 5.985 -7.374 -5.254 1.00 0.00 O ATOM 655 CB PHE A 45 4.530 -6.203 -2.955 1.00 0.00 C ATOM 656 CG PHE A 45 4.855 -7.010 -1.696 1.00 0.00 C ATOM 657 CD1 PHE A 45 5.392 -6.390 -0.611 1.00 0.00 C ATOM 658 CD2 PHE A 45 4.605 -8.347 -1.662 1.00 0.00 C ATOM 659 CE1 PHE A 45 5.695 -7.139 0.557 1.00 0.00 C ATOM 660 CE2 PHE A 45 4.907 -9.095 -0.493 1.00 0.00 C ATOM 661 CZ PHE A 45 5.444 -8.476 0.591 1.00 0.00 C ATOM 0 H PHE A 45 5.306 -4.914 -5.571 1.00 0.00 H new ATOM 0 HA PHE A 45 6.435 -5.135 -2.933 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.846 -5.396 -2.691 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.006 -6.847 -3.661 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.588 -5.328 -0.638 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.177 -8.839 -2.523 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.124 -6.648 1.418 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.710 -10.156 -0.466 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.672 -9.045 1.480 1.00 0.00 H new ATOM 670 N ALA A 46 7.763 -6.914 -3.933 1.00 0.00 N ATOM 671 CA ALA A 46 8.605 -7.941 -4.519 1.00 0.00 C ATOM 672 C ALA A 46 8.963 -7.546 -5.952 1.00 0.00 C ATOM 673 O ALA A 46 9.484 -8.360 -6.714 1.00 0.00 O ATOM 674 CB ALA A 46 7.889 -9.292 -4.448 1.00 0.00 C ATOM 0 H ALA A 46 8.205 -6.373 -3.190 1.00 0.00 H new ATOM 0 HA ALA A 46 9.537 -8.036 -3.961 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.522 -10.063 -4.888 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.685 -9.541 -3.407 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.950 -9.235 -4.998 1.00 0.00 H new ATOM 680 N GLY A 47 8.669 -6.295 -6.278 1.00 0.00 N ATOM 681 CA GLY A 47 8.953 -5.782 -7.606 1.00 0.00 C ATOM 682 C GLY A 47 7.900 -6.250 -8.613 1.00 0.00 C ATOM 683 O GLY A 47 8.208 -6.475 -9.782 1.00 0.00 O ATOM 0 H GLY A 47 8.237 -5.623 -5.644 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.978 -4.693 -7.581 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.940 -6.116 -7.925 1.00 0.00 H new ATOM 687 N LYS A 48 6.677 -6.384 -8.121 1.00 0.00 N ATOM 688 CA LYS A 48 5.575 -6.822 -8.962 1.00 0.00 C ATOM 689 C LYS A 48 4.442 -5.796 -8.887 1.00 0.00 C ATOM 690 O LYS A 48 4.371 -5.013 -7.940 1.00 0.00 O ATOM 691 CB LYS A 48 5.146 -8.241 -8.587 1.00 0.00 C ATOM 692 CG LYS A 48 4.194 -8.228 -7.390 1.00 0.00 C ATOM 693 CD LYS A 48 4.433 -9.438 -6.484 1.00 0.00 C ATOM 694 CE LYS A 48 3.689 -10.668 -7.006 1.00 0.00 C ATOM 695 NZ LYS A 48 4.636 -11.621 -7.629 1.00 0.00 N ATOM 0 H LYS A 48 6.425 -6.197 -7.151 1.00 0.00 H new ATOM 0 HA LYS A 48 5.889 -6.874 -10.004 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.658 -8.714 -9.439 1.00 0.00 H new ATOM 0 HB3 LYS A 48 6.025 -8.840 -8.350 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.334 -7.310 -6.820 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.162 -8.231 -7.742 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.501 -9.650 -6.429 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.101 -9.210 -5.471 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.160 -11.155 -6.187 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.938 -10.364 -7.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.115 -12.450 -7.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.122 -11.158 -8.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.337 -11.925 -6.924 1.00 0.00 H new ATOM 705 N GLN A 49 3.585 -5.833 -9.895 1.00 0.00 N ATOM 706 CA GLN A 49 2.459 -4.917 -9.955 1.00 0.00 C ATOM 707 C GLN A 49 1.340 -5.389 -9.023 1.00 0.00 C ATOM 708 O GLN A 49 0.617 -6.332 -9.343 1.00 0.00 O ATOM 709 CB GLN A 49 1.950 -4.766 -11.389 1.00 0.00 C ATOM 710 CG GLN A 49 0.572 -4.103 -11.415 1.00 0.00 C ATOM 711 CD GLN A 49 0.014 -4.053 -12.840 1.00 0.00 C ATOM 712 OE1 GLN A 49 -0.700 -5.122 -13.179 1.00 0.00 O flip ATOM 713 NE2 GLN A 49 0.219 -3.106 -13.581 1.00 0.00 N flip ATOM 0 H GLN A 49 3.647 -6.484 -10.678 1.00 0.00 H new ATOM 0 HA GLN A 49 2.796 -3.936 -9.619 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.655 -4.170 -11.968 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.895 -5.745 -11.864 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.113 -4.655 -10.771 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.643 -3.092 -11.013 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.777 -2.316 -13.257 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.168 -3.104 -14.525 1.00 0.00 H new ATOM 720 N LEU A 50 1.233 -4.712 -7.889 1.00 0.00 N ATOM 721 CA LEU A 50 0.215 -5.051 -6.909 1.00 0.00 C ATOM 722 C LEU A 50 -1.159 -4.649 -7.448 1.00 0.00 C ATOM 723 O LEU A 50 -1.461 -3.463 -7.567 1.00 0.00 O ATOM 724 CB LEU A 50 0.550 -4.428 -5.552 1.00 0.00 C ATOM 725 CG LEU A 50 0.784 -5.410 -4.403 1.00 0.00 C ATOM 726 CD1 LEU A 50 1.908 -6.392 -4.741 1.00 0.00 C ATOM 727 CD2 LEU A 50 1.046 -4.668 -3.092 1.00 0.00 C ATOM 0 H LEU A 50 1.834 -3.931 -7.627 1.00 0.00 H new ATOM 0 HA LEU A 50 0.190 -6.128 -6.742 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.443 -3.814 -5.667 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.263 -3.758 -5.271 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.125 -5.996 -4.265 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.054 -7.079 -3.907 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.641 -6.957 -5.634 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.831 -5.841 -4.922 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.209 -5.390 -2.292 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.930 -4.040 -3.200 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.186 -4.045 -2.849 1.00 0.00 H new ATOM 738 N GLU A 51 -1.956 -5.661 -7.761 1.00 0.00 N ATOM 739 CA GLU A 51 -3.291 -5.428 -8.284 1.00 0.00 C ATOM 740 C GLU A 51 -4.338 -6.071 -7.372 1.00 0.00 C ATOM 741 O GLU A 51 -4.037 -7.014 -6.644 1.00 0.00 O ATOM 742 CB GLU A 51 -3.417 -5.951 -9.717 1.00 0.00 C ATOM 743 CG GLU A 51 -4.278 -5.016 -10.568 1.00 0.00 C ATOM 744 CD GLU A 51 -4.102 -5.313 -12.058 1.00 0.00 C ATOM 745 OE1 GLU A 51 -4.786 -6.244 -12.536 1.00 0.00 O ATOM 746 OE2 GLU A 51 -3.287 -4.603 -12.686 1.00 0.00 O ATOM 0 H GLU A 51 -1.702 -6.644 -7.662 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.469 -4.353 -8.307 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.426 -6.045 -10.162 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.857 -6.948 -9.707 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.326 -5.130 -10.292 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.006 -3.980 -10.365 1.00 0.00 H new ATOM 751 N ASP A 52 -5.547 -5.533 -7.442 1.00 0.00 N ATOM 752 CA ASP A 52 -6.641 -6.042 -6.632 1.00 0.00 C ATOM 753 C ASP A 52 -6.958 -7.478 -7.056 1.00 0.00 C ATOM 754 O ASP A 52 -7.522 -8.247 -6.279 1.00 0.00 O ATOM 755 CB ASP A 52 -7.905 -5.202 -6.824 1.00 0.00 C ATOM 756 CG ASP A 52 -9.220 -5.974 -6.696 1.00 0.00 C ATOM 757 OD1 ASP A 52 -9.557 -6.685 -7.668 1.00 0.00 O ATOM 758 OD2 ASP A 52 -9.858 -5.836 -5.631 1.00 0.00 O ATOM 0 H ASP A 52 -5.793 -4.750 -8.047 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.335 -6.000 -5.587 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.902 -4.395 -6.091 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.868 -4.737 -7.809 1.00 0.00 H new ATOM 762 N GLY A 53 -6.583 -7.795 -8.286 1.00 0.00 N ATOM 763 CA GLY A 53 -6.819 -9.125 -8.821 1.00 0.00 C ATOM 764 C GLY A 53 -6.507 -10.200 -7.778 1.00 0.00 C ATOM 765 O GLY A 53 -7.142 -11.253 -7.758 1.00 0.00 O ATOM 0 H GLY A 53 -6.117 -7.154 -8.928 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.858 -9.213 -9.140 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -6.200 -9.280 -9.705 1.00 0.00 H new ATOM 769 N ARG A 54 -5.529 -9.896 -6.937 1.00 0.00 N ATOM 770 CA ARG A 54 -5.124 -10.824 -5.894 1.00 0.00 C ATOM 771 C ARG A 54 -5.120 -10.123 -4.535 1.00 0.00 C ATOM 772 O ARG A 54 -5.345 -8.917 -4.452 1.00 0.00 O ATOM 773 CB ARG A 54 -3.731 -11.391 -6.173 1.00 0.00 C ATOM 774 CG ARG A 54 -3.653 -11.989 -7.579 1.00 0.00 C ATOM 775 CD ARG A 54 -3.228 -13.458 -7.528 1.00 0.00 C ATOM 776 NE ARG A 54 -4.237 -14.300 -8.207 1.00 0.00 N ATOM 777 CZ ARG A 54 -4.254 -14.537 -9.526 1.00 0.00 C ATOM 778 NH1 ARG A 54 -3.316 -13.995 -10.315 1.00 0.00 N ATOM 779 NH2 ARG A 54 -5.208 -15.314 -10.056 1.00 0.00 N ATOM 0 H ARG A 54 -5.005 -9.021 -6.956 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.841 -11.645 -5.881 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.986 -10.602 -6.068 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.492 -12.156 -5.435 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.623 -11.904 -8.068 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.942 -11.422 -8.180 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.257 -13.581 -8.008 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.114 -13.777 -6.492 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.966 -14.727 -7.635 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.590 -13.403 -9.912 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.328 -14.175 -11.319 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.922 -15.726 -9.456 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.220 -15.494 -11.060 1.00 0.00 H new ATOM 790 N THR A 55 -4.862 -10.910 -3.500 1.00 0.00 N ATOM 791 CA THR A 55 -4.825 -10.381 -2.148 1.00 0.00 C ATOM 792 C THR A 55 -3.392 -10.389 -1.610 1.00 0.00 C ATOM 793 O THR A 55 -2.446 -10.619 -2.361 1.00 0.00 O ATOM 794 CB THR A 55 -5.799 -11.196 -1.294 1.00 0.00 C ATOM 795 OG1 THR A 55 -5.143 -12.450 -1.122 1.00 0.00 O ATOM 796 CG2 THR A 55 -7.084 -11.547 -2.046 1.00 0.00 C ATOM 0 H THR A 55 -4.677 -11.910 -3.571 1.00 0.00 H new ATOM 0 HA THR A 55 -5.142 -9.338 -2.123 1.00 0.00 H new ATOM 0 HB THR A 55 -6.048 -10.636 -0.392 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.801 -13.131 -0.870 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.740 -12.125 -1.395 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.590 -10.630 -2.350 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.839 -12.136 -2.930 1.00 0.00 H new ATOM 804 N LEU A 56 -3.279 -10.134 -0.315 1.00 0.00 N ATOM 805 CA LEU A 56 -1.977 -10.109 0.331 1.00 0.00 C ATOM 806 C LEU A 56 -1.446 -11.538 0.454 1.00 0.00 C ATOM 807 O LEU A 56 -0.254 -11.779 0.273 1.00 0.00 O ATOM 808 CB LEU A 56 -2.057 -9.366 1.666 1.00 0.00 C ATOM 809 CG LEU A 56 -2.865 -8.066 1.664 1.00 0.00 C ATOM 810 CD1 LEU A 56 -2.792 -7.372 3.024 1.00 0.00 C ATOM 811 CD2 LEU A 56 -2.419 -7.145 0.526 1.00 0.00 C ATOM 0 H LEU A 56 -4.067 -9.943 0.304 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.261 -9.554 -0.275 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.489 -10.038 2.408 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.043 -9.139 1.994 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.911 -8.315 1.486 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.375 -6.451 2.994 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.196 -8.032 3.792 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.754 -7.137 3.257 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.009 -6.229 0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.364 -6.900 0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.566 -7.649 -0.429 1.00 0.00 H new ATOM 822 N SER A 57 -2.357 -12.450 0.762 1.00 0.00 N ATOM 823 CA SER A 57 -1.995 -13.849 0.911 1.00 0.00 C ATOM 824 C SER A 57 -1.435 -14.388 -0.407 1.00 0.00 C ATOM 825 O SER A 57 -0.513 -15.201 -0.407 1.00 0.00 O ATOM 826 CB SER A 57 -3.196 -14.685 1.358 1.00 0.00 C ATOM 827 OG SER A 57 -4.322 -14.503 0.501 1.00 0.00 O ATOM 0 H SER A 57 -3.345 -12.247 0.912 1.00 0.00 H new ATOM 0 HA SER A 57 -1.228 -13.923 1.682 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.919 -15.739 1.373 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.468 -14.412 2.378 1.00 0.00 H new ATOM 0 HG SER A 57 -4.224 -13.663 0.006 1.00 0.00 H new ATOM 832 N ASP A 58 -2.017 -13.914 -1.499 1.00 0.00 N ATOM 833 CA ASP A 58 -1.587 -14.337 -2.821 1.00 0.00 C ATOM 834 C ASP A 58 -0.189 -13.783 -3.101 1.00 0.00 C ATOM 835 O ASP A 58 0.599 -14.407 -3.808 1.00 0.00 O ATOM 836 CB ASP A 58 -2.531 -13.808 -3.902 1.00 0.00 C ATOM 837 CG ASP A 58 -3.583 -14.806 -4.389 1.00 0.00 C ATOM 838 OD1 ASP A 58 -3.165 -15.856 -4.923 1.00 0.00 O ATOM 839 OD2 ASP A 58 -4.782 -14.499 -4.214 1.00 0.00 O ATOM 0 H ASP A 58 -2.783 -13.241 -1.495 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.588 -15.427 -2.843 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.041 -12.925 -3.517 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.936 -13.485 -4.756 1.00 0.00 H new ATOM 843 N TYR A 59 0.075 -12.618 -2.528 1.00 0.00 N ATOM 844 CA TYR A 59 1.366 -11.973 -2.707 1.00 0.00 C ATOM 845 C TYR A 59 2.274 -12.220 -1.501 1.00 0.00 C ATOM 846 O TYR A 59 3.354 -11.640 -1.405 1.00 0.00 O ATOM 847 CB TYR A 59 1.076 -10.473 -2.813 1.00 0.00 C ATOM 848 CG TYR A 59 0.341 -10.071 -4.094 1.00 0.00 C ATOM 849 CD1 TYR A 59 0.007 -11.030 -5.029 1.00 0.00 C ATOM 850 CD2 TYR A 59 0.012 -8.750 -4.314 1.00 0.00 C ATOM 851 CE1 TYR A 59 -0.684 -10.651 -6.233 1.00 0.00 C ATOM 852 CE2 TYR A 59 -0.679 -8.371 -5.518 1.00 0.00 C ATOM 853 CZ TYR A 59 -0.993 -9.340 -6.418 1.00 0.00 C ATOM 854 OH TYR A 59 -1.647 -8.982 -7.557 1.00 0.00 O ATOM 0 H TYR A 59 -0.581 -12.104 -1.940 1.00 0.00 H new ATOM 0 HA TYR A 59 1.872 -12.365 -3.589 1.00 0.00 H new ATOM 0 HB2 TYR A 59 0.480 -10.167 -1.953 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.018 -9.926 -2.760 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.264 -12.065 -4.857 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.273 -8.000 -3.582 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.951 -11.391 -6.973 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.942 -7.340 -5.702 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.595 -9.713 -8.208 1.00 0.00 H new ATOM 863 N ASN A 60 1.802 -13.083 -0.614 1.00 0.00 N ATOM 864 CA ASN A 60 2.559 -13.414 0.582 1.00 0.00 C ATOM 865 C ASN A 60 2.871 -12.131 1.355 1.00 0.00 C ATOM 866 O ASN A 60 3.881 -12.053 2.053 1.00 0.00 O ATOM 867 CB ASN A 60 3.887 -14.086 0.225 1.00 0.00 C ATOM 868 CG ASN A 60 4.459 -14.843 1.425 1.00 0.00 C ATOM 869 OD1 ASN A 60 4.567 -16.155 1.236 1.00 0.00 O flip ATOM 870 ND2 ASN A 60 4.781 -14.273 2.455 1.00 0.00 N flip ATOM 0 H ASN A 60 0.906 -13.563 -0.699 1.00 0.00 H new ATOM 0 HA ASN A 60 1.959 -14.098 1.182 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.738 -14.775 -0.607 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.601 -13.333 -0.109 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.672 -13.262 2.534 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.159 -14.808 3.237 1.00 0.00 H new ATOM 876 N ILE A 61 1.986 -11.158 1.205 1.00 0.00 N ATOM 877 CA ILE A 61 2.154 -9.882 1.880 1.00 0.00 C ATOM 878 C ILE A 61 1.711 -10.020 3.338 1.00 0.00 C ATOM 879 O ILE A 61 0.609 -9.607 3.698 1.00 0.00 O ATOM 880 CB ILE A 61 1.426 -8.772 1.118 1.00 0.00 C ATOM 881 CG1 ILE A 61 2.199 -8.376 -0.141 1.00 0.00 C ATOM 882 CG2 ILE A 61 1.154 -7.572 2.026 1.00 0.00 C ATOM 883 CD1 ILE A 61 1.309 -7.584 -1.103 1.00 0.00 C ATOM 0 H ILE A 61 1.149 -11.227 0.626 1.00 0.00 H new ATOM 0 HA ILE A 61 3.205 -9.592 1.891 1.00 0.00 H new ATOM 0 HB ILE A 61 0.458 -9.156 0.795 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.067 -7.777 0.134 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.574 -9.270 -0.639 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.636 -6.798 1.460 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.533 -7.884 2.866 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.099 -7.177 2.400 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.882 -7.314 -1.990 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.455 -8.195 -1.395 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.956 -6.678 -0.610 1.00 0.00 H new ATOM 894 N GLN A 62 2.592 -10.600 4.138 1.00 0.00 N ATOM 895 CA GLN A 62 2.306 -10.797 5.550 1.00 0.00 C ATOM 896 C GLN A 62 2.729 -9.567 6.354 1.00 0.00 C ATOM 897 O GLN A 62 2.864 -8.476 5.801 1.00 0.00 O ATOM 898 CB GLN A 62 2.991 -12.060 6.077 1.00 0.00 C ATOM 899 CG GLN A 62 4.496 -11.839 6.240 1.00 0.00 C ATOM 900 CD GLN A 62 5.230 -13.170 6.417 1.00 0.00 C ATOM 901 OE1 GLN A 62 5.242 -13.930 5.326 1.00 0.00 O flip ATOM 902 NE2 GLN A 62 5.749 -13.487 7.474 1.00 0.00 N flip ATOM 0 H GLN A 62 3.505 -10.940 3.836 1.00 0.00 H new ATOM 0 HA GLN A 62 1.231 -10.931 5.668 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.555 -12.342 7.036 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.813 -12.888 5.391 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.887 -11.317 5.367 1.00 0.00 H new ATOM 0 HG3 GLN A 62 4.682 -11.200 7.103 1.00 0.00 H new ATOM 0 HE21 GLN A 62 5.703 -12.856 8.274 1.00 0.00 H new ATOM 0 HE22 GLN A 62 6.229 -14.383 7.558 1.00 0.00 H new ATOM 909 N LYS A 63 2.928 -9.784 7.646 1.00 0.00 N ATOM 910 CA LYS A 63 3.333 -8.705 8.532 1.00 0.00 C ATOM 911 C LYS A 63 4.649 -8.108 8.031 1.00 0.00 C ATOM 912 O LYS A 63 5.432 -8.788 7.370 1.00 0.00 O ATOM 913 CB LYS A 63 3.391 -9.196 9.980 1.00 0.00 C ATOM 914 CG LYS A 63 1.989 -9.497 10.514 1.00 0.00 C ATOM 915 CD LYS A 63 1.907 -9.232 12.018 1.00 0.00 C ATOM 916 CE LYS A 63 1.399 -10.467 12.766 1.00 0.00 C ATOM 917 NZ LYS A 63 2.480 -11.058 13.586 1.00 0.00 N ATOM 0 H LYS A 63 2.816 -10.690 8.100 1.00 0.00 H new ATOM 0 HA LYS A 63 2.595 -7.903 8.521 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.007 -10.093 10.039 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.868 -8.441 10.605 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.257 -8.881 9.992 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.734 -10.537 10.310 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.891 -8.953 12.396 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.242 -8.389 12.207 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.559 -10.193 13.404 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.030 -11.205 12.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.118 -11.895 14.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.270 -11.338 12.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.813 -10.357 14.279 1.00 0.00 H new ATOM 927 N GLU A 64 4.852 -6.842 8.367 1.00 0.00 N ATOM 928 CA GLU A 64 6.061 -6.145 7.959 1.00 0.00 C ATOM 929 C GLU A 64 6.428 -6.515 6.521 1.00 0.00 C ATOM 930 O GLU A 64 7.418 -7.206 6.288 1.00 0.00 O ATOM 931 CB GLU A 64 7.216 -6.447 8.916 1.00 0.00 C ATOM 932 CG GLU A 64 6.761 -6.352 10.373 1.00 0.00 C ATOM 933 CD GLU A 64 7.194 -7.589 11.165 1.00 0.00 C ATOM 934 OE1 GLU A 64 6.518 -8.628 11.008 1.00 0.00 O ATOM 935 OE2 GLU A 64 8.191 -7.466 11.908 1.00 0.00 O ATOM 0 H GLU A 64 4.201 -6.281 8.916 1.00 0.00 H new ATOM 0 HA GLU A 64 5.870 -5.073 7.999 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.606 -7.445 8.718 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.032 -5.746 8.740 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.181 -5.457 10.831 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.676 -6.251 10.413 1.00 0.00 H new ATOM 940 N SER A 65 5.611 -6.039 5.594 1.00 0.00 N ATOM 941 CA SER A 65 5.836 -6.311 4.185 1.00 0.00 C ATOM 942 C SER A 65 6.728 -5.225 3.579 1.00 0.00 C ATOM 943 O SER A 65 7.861 -5.496 3.185 1.00 0.00 O ATOM 944 CB SER A 65 4.514 -6.398 3.422 1.00 0.00 C ATOM 945 OG SER A 65 4.335 -7.671 2.807 1.00 0.00 O ATOM 0 H SER A 65 4.791 -5.466 5.791 1.00 0.00 H new ATOM 0 HA SER A 65 6.337 -7.275 4.099 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.687 -6.207 4.106 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.484 -5.620 2.660 1.00 0.00 H new ATOM 0 HG SER A 65 4.996 -7.785 2.092 1.00 0.00 H new ATOM 950 N THR A 66 6.183 -4.018 3.524 1.00 0.00 N ATOM 951 CA THR A 66 6.915 -2.890 2.973 1.00 0.00 C ATOM 952 C THR A 66 6.707 -2.808 1.459 1.00 0.00 C ATOM 953 O THR A 66 7.478 -3.381 0.691 1.00 0.00 O ATOM 954 CB THR A 66 8.383 -3.037 3.378 1.00 0.00 C ATOM 955 OG1 THR A 66 8.329 -3.411 4.752 1.00 0.00 O ATOM 956 CG2 THR A 66 9.124 -1.699 3.383 1.00 0.00 C ATOM 0 H THR A 66 5.243 -3.797 3.852 1.00 0.00 H new ATOM 0 HA THR A 66 6.546 -1.945 3.372 1.00 0.00 H new ATOM 0 HB THR A 66 8.881 -3.725 2.695 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.239 -3.529 5.095 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.161 -1.859 3.677 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.093 -1.262 2.385 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.646 -1.021 4.091 1.00 0.00 H new ATOM 964 N LEU A 67 5.661 -2.092 1.077 1.00 0.00 N ATOM 965 CA LEU A 67 5.341 -1.927 -0.332 1.00 0.00 C ATOM 966 C LEU A 67 6.195 -0.799 -0.915 1.00 0.00 C ATOM 967 O LEU A 67 6.788 -0.018 -0.174 1.00 0.00 O ATOM 968 CB LEU A 67 3.837 -1.719 -0.519 1.00 0.00 C ATOM 969 CG LEU A 67 2.937 -2.856 -0.030 1.00 0.00 C ATOM 970 CD1 LEU A 67 3.573 -4.218 -0.312 1.00 0.00 C ATOM 971 CD2 LEU A 67 2.588 -2.681 1.450 1.00 0.00 C ATOM 0 H LEU A 67 5.023 -1.619 1.718 1.00 0.00 H new ATOM 0 HA LEU A 67 5.585 -2.833 -0.887 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.549 -0.805 0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.642 -1.558 -1.579 1.00 0.00 H new ATOM 0 HG LEU A 67 2.002 -2.816 -0.588 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.913 -5.009 0.045 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.728 -4.332 -1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.532 -4.285 0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.948 -3.502 1.772 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.503 -2.681 2.042 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.064 -1.736 1.591 1.00 0.00 H new ATOM 982 N HIS A 68 6.229 -0.750 -2.239 1.00 0.00 N ATOM 983 CA HIS A 68 7.001 0.269 -2.930 1.00 0.00 C ATOM 984 C HIS A 68 6.063 1.141 -3.768 1.00 0.00 C ATOM 985 O HIS A 68 5.398 0.647 -4.678 1.00 0.00 O ATOM 986 CB HIS A 68 8.120 -0.366 -3.759 1.00 0.00 C ATOM 987 CG HIS A 68 9.269 -0.894 -2.936 1.00 0.00 C ATOM 988 ND1 HIS A 68 10.540 -0.348 -2.986 1.00 0.00 N ATOM 989 CD2 HIS A 68 9.327 -1.921 -2.040 1.00 0.00 C ATOM 990 CE1 HIS A 68 11.320 -1.026 -2.156 1.00 0.00 C ATOM 991 NE2 HIS A 68 10.567 -2.000 -1.571 1.00 0.00 N ATOM 0 H HIS A 68 5.735 -1.399 -2.851 1.00 0.00 H new ATOM 0 HA HIS A 68 7.491 0.917 -2.203 1.00 0.00 H new ATOM 0 HB2 HIS A 68 7.703 -1.183 -4.348 1.00 0.00 H new ATOM 0 HB3 HIS A 68 8.501 0.373 -4.464 1.00 0.00 H new ATOM 0 HD2 HIS A 68 8.504 -2.561 -1.760 1.00 0.00 H new ATOM 0 HE1 HIS A 68 12.368 -0.839 -1.975 1.00 0.00 H new ATOM 0 HE2 HIS A 68 10.901 -2.678 -0.886 1.00 0.00 H new ATOM 998 N LEU A 69 6.041 2.422 -3.432 1.00 0.00 N ATOM 999 CA LEU A 69 5.197 3.368 -4.142 1.00 0.00 C ATOM 1000 C LEU A 69 5.902 3.811 -5.426 1.00 0.00 C ATOM 1001 O LEU A 69 7.127 3.912 -5.462 1.00 0.00 O ATOM 1002 CB LEU A 69 4.802 4.528 -3.226 1.00 0.00 C ATOM 1003 CG LEU A 69 3.301 4.747 -3.030 1.00 0.00 C ATOM 1004 CD1 LEU A 69 3.037 5.939 -2.109 1.00 0.00 C ATOM 1005 CD2 LEU A 69 2.587 4.892 -4.375 1.00 0.00 C ATOM 0 H LEU A 69 6.594 2.827 -2.677 1.00 0.00 H new ATOM 0 HA LEU A 69 4.261 2.894 -4.439 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.256 4.364 -2.249 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.233 5.445 -3.628 1.00 0.00 H new ATOM 0 HG LEU A 69 2.888 3.865 -2.541 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.962 6.073 -1.986 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.493 5.755 -1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.467 6.840 -2.547 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.521 5.047 -4.206 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.997 5.746 -4.914 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.733 3.987 -4.964 1.00 0.00 H new