USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=19 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 62 GLN : amide:sc= 0.126 K(o=0.24,f=-1.4) USER MOD Set 1.2: A 63 LYS NZ :NH3+ 142:sc= 0.117 (180deg=0) USER MOD Single : A 1 MET CE :methyl -123:sc= -3.59! (180deg=-4.9!) USER MOD Single : A 1 MET N :NH3+ -118:sc= -0.273 (180deg=-5.12!) USER MOD Single : A 2 GLN : amide:sc= -1.35 X(o=-1.4,f=-0.89) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 170:sc= -4.63! USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -21:sc= 0.039 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.317 USER MOD Single : A 25 ASN :FLIP amide:sc= -3.28 F(o=-9!,f=-3.3) USER MOD Single : A 27 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0124) USER MOD Single : A 29 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.546) USER MOD Single : A 31 GLN : amide:sc= -17! C(o=-17!,f=-22!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN :FLIP amide:sc= -4.87! C(o=-6!,f=-4.9!) USER MOD Single : A 41 GLN : amide:sc= -2.61 K(o=-2.6,f=-6.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN :FLIP amide:sc= -0.353 F(o=-0.96,f=-0.35) USER MOD Single : A 55 THR OG1 : rot -79:sc= 0.438 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 156:sc= 0.121 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot -107:sc= 0.82 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.178 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.00043) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.754 -7.462 12.229 1.00 0.00 N ATOM 2 CA MET A 1 -1.629 -7.447 11.309 1.00 0.00 C ATOM 3 C MET A 1 -0.987 -6.058 11.250 1.00 0.00 C ATOM 4 O MET A 1 -1.520 -5.101 11.810 1.00 0.00 O ATOM 5 CB MET A 1 -2.106 -7.849 9.912 1.00 0.00 C ATOM 6 CG MET A 1 -2.526 -9.320 9.878 1.00 0.00 C ATOM 7 SD MET A 1 -4.255 -9.471 10.295 1.00 0.00 S ATOM 8 CE MET A 1 -4.118 -10.106 11.957 1.00 0.00 C ATOM 0 H1 MET A 1 -2.561 -8.129 13.003 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.895 -6.509 12.621 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.613 -7.759 11.723 1.00 0.00 H new ATOM 0 HA MET A 1 -0.883 -8.157 11.666 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.946 -7.220 9.616 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.309 -7.678 9.188 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.345 -9.736 8.887 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.923 -9.895 10.580 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.652 -11.054 12.030 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.067 -10.262 12.202 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.551 -9.391 12.657 1.00 0.00 H new ATOM 16 N GLN A 2 0.145 -5.994 10.565 1.00 0.00 N ATOM 17 CA GLN A 2 0.865 -4.739 10.427 1.00 0.00 C ATOM 18 C GLN A 2 1.944 -4.863 9.349 1.00 0.00 C ATOM 19 O GLN A 2 2.701 -5.832 9.332 1.00 0.00 O ATOM 20 CB GLN A 2 1.470 -4.303 11.762 1.00 0.00 C ATOM 21 CG GLN A 2 1.127 -2.844 12.070 1.00 0.00 C ATOM 22 CD GLN A 2 1.379 -2.520 13.543 1.00 0.00 C ATOM 23 OE1 GLN A 2 0.468 -2.404 14.345 1.00 0.00 O ATOM 24 NE2 GLN A 2 2.666 -2.382 13.854 1.00 0.00 N ATOM 0 H GLN A 2 0.581 -6.790 10.100 1.00 0.00 H new ATOM 0 HA GLN A 2 0.158 -3.969 10.119 1.00 0.00 H new ATOM 0 HB2 GLN A 2 1.097 -4.944 12.561 1.00 0.00 H new ATOM 0 HB3 GLN A 2 2.552 -4.427 11.732 1.00 0.00 H new ATOM 0 HG2 GLN A 2 1.727 -2.185 11.442 1.00 0.00 H new ATOM 0 HG3 GLN A 2 0.082 -2.653 11.826 1.00 0.00 H new ATOM 0 HE21 GLN A 2 3.379 -2.492 13.133 1.00 0.00 H new ATOM 0 HE22 GLN A 2 2.939 -2.166 14.813 1.00 0.00 H new ATOM 31 N ILE A 3 1.980 -3.868 8.475 1.00 0.00 N ATOM 32 CA ILE A 3 2.954 -3.853 7.398 1.00 0.00 C ATOM 33 C ILE A 3 3.531 -2.442 7.256 1.00 0.00 C ATOM 34 O ILE A 3 3.245 -1.567 8.071 1.00 0.00 O ATOM 35 CB ILE A 3 2.334 -4.395 6.109 1.00 0.00 C ATOM 36 CG1 ILE A 3 1.112 -3.571 5.697 1.00 0.00 C ATOM 37 CG2 ILE A 3 2.003 -5.883 6.243 1.00 0.00 C ATOM 38 CD1 ILE A 3 0.772 -3.794 4.223 1.00 0.00 C ATOM 0 H ILE A 3 1.350 -3.066 8.491 1.00 0.00 H new ATOM 0 HA ILE A 3 3.787 -4.517 7.629 1.00 0.00 H new ATOM 0 HB ILE A 3 3.070 -4.299 5.311 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.258 -3.846 6.316 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.306 -2.513 5.873 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.563 -6.243 5.313 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.915 -6.441 6.453 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.294 -6.026 7.058 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.100 -3.197 3.956 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.619 -3.496 3.605 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.554 -4.849 4.055 1.00 0.00 H new ATOM 49 N PHE A 4 4.332 -2.268 6.216 1.00 0.00 N ATOM 50 CA PHE A 4 4.951 -0.978 5.958 1.00 0.00 C ATOM 51 C PHE A 4 4.856 -0.612 4.475 1.00 0.00 C ATOM 52 O PHE A 4 4.824 -1.491 3.615 1.00 0.00 O ATOM 53 CB PHE A 4 6.426 -1.105 6.346 1.00 0.00 C ATOM 54 CG PHE A 4 6.653 -1.623 7.768 1.00 0.00 C ATOM 55 CD1 PHE A 4 6.358 -0.832 8.835 1.00 0.00 C ATOM 56 CD2 PHE A 4 7.148 -2.873 7.965 1.00 0.00 C ATOM 57 CE1 PHE A 4 6.569 -1.312 10.154 1.00 0.00 C ATOM 58 CE2 PHE A 4 7.358 -3.354 9.284 1.00 0.00 C ATOM 59 CZ PHE A 4 7.064 -2.564 10.351 1.00 0.00 C ATOM 0 H PHE A 4 4.567 -2.997 5.542 1.00 0.00 H new ATOM 0 HA PHE A 4 4.445 -0.200 6.530 1.00 0.00 H new ATOM 0 HB2 PHE A 4 6.920 -1.776 5.643 1.00 0.00 H new ATOM 0 HB3 PHE A 4 6.903 -0.130 6.245 1.00 0.00 H new ATOM 0 HD1 PHE A 4 5.963 0.161 8.678 1.00 0.00 H new ATOM 0 HD2 PHE A 4 7.382 -3.501 7.118 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.337 -0.684 11.001 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.751 -4.348 9.440 1.00 0.00 H new ATOM 0 HZ PHE A 4 7.223 -2.930 11.354 1.00 0.00 H new ATOM 68 N VAL A 5 4.814 0.688 4.222 1.00 0.00 N ATOM 69 CA VAL A 5 4.723 1.182 2.858 1.00 0.00 C ATOM 70 C VAL A 5 5.925 2.083 2.566 1.00 0.00 C ATOM 71 O VAL A 5 6.393 2.804 3.444 1.00 0.00 O ATOM 72 CB VAL A 5 3.383 1.886 2.645 1.00 0.00 C ATOM 73 CG1 VAL A 5 3.274 2.440 1.222 1.00 0.00 C ATOM 74 CG2 VAL A 5 2.215 0.950 2.960 1.00 0.00 C ATOM 0 H VAL A 5 4.841 1.414 4.938 1.00 0.00 H new ATOM 0 HA VAL A 5 4.756 0.355 2.149 1.00 0.00 H new ATOM 0 HB VAL A 5 3.334 2.727 3.336 1.00 0.00 H new ATOM 0 HG11 VAL A 5 2.311 2.936 1.097 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.077 3.157 1.048 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.356 1.622 0.506 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.274 1.476 2.800 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.260 0.079 2.306 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.278 0.627 3.999 1.00 0.00 H new ATOM 84 N LYS A 6 6.391 2.010 1.327 1.00 0.00 N ATOM 85 CA LYS A 6 7.529 2.810 0.907 1.00 0.00 C ATOM 86 C LYS A 6 7.172 3.566 -0.373 1.00 0.00 C ATOM 87 O LYS A 6 6.266 3.164 -1.104 1.00 0.00 O ATOM 88 CB LYS A 6 8.779 1.937 0.778 1.00 0.00 C ATOM 89 CG LYS A 6 9.649 2.035 2.033 1.00 0.00 C ATOM 90 CD LYS A 6 11.002 1.355 1.816 1.00 0.00 C ATOM 91 CE LYS A 6 12.150 2.265 2.257 1.00 0.00 C ATOM 92 NZ LYS A 6 13.007 2.615 1.103 1.00 0.00 N ATOM 0 H LYS A 6 6.001 1.409 0.601 1.00 0.00 H new ATOM 0 HA LYS A 6 7.768 3.559 1.663 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.487 0.900 0.614 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.355 2.248 -0.093 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.802 3.082 2.293 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.135 1.570 2.874 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.038 0.421 2.377 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.120 1.099 0.763 1.00 0.00 H new ATOM 0 HE2 LYS A 6 11.749 3.173 2.708 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.745 1.765 3.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 13.781 3.233 1.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.404 1.747 0.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 12.439 3.111 0.387 1.00 0.00 H new ATOM 102 N THR A 7 7.900 4.648 -0.608 1.00 0.00 N ATOM 103 CA THR A 7 7.671 5.463 -1.788 1.00 0.00 C ATOM 104 C THR A 7 8.995 6.019 -2.318 1.00 0.00 C ATOM 105 O THR A 7 10.064 5.646 -1.838 1.00 0.00 O ATOM 106 CB THR A 7 6.659 6.551 -1.422 1.00 0.00 C ATOM 107 OG1 THR A 7 7.429 7.750 -1.406 1.00 0.00 O ATOM 108 CG2 THR A 7 6.148 6.416 0.013 1.00 0.00 C ATOM 0 H THR A 7 8.649 4.979 -0.000 1.00 0.00 H new ATOM 0 HA THR A 7 7.254 4.871 -2.602 1.00 0.00 H new ATOM 0 HB THR A 7 5.816 6.510 -2.112 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.830 8.523 -1.338 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.433 7.212 0.221 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.660 5.449 0.136 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.986 6.490 0.706 1.00 0.00 H new ATOM 116 N LEU A 8 8.879 6.901 -3.300 1.00 0.00 N ATOM 117 CA LEU A 8 10.053 7.511 -3.900 1.00 0.00 C ATOM 118 C LEU A 8 10.816 8.297 -2.832 1.00 0.00 C ATOM 119 O LEU A 8 11.948 8.722 -3.060 1.00 0.00 O ATOM 120 CB LEU A 8 9.658 8.351 -5.117 1.00 0.00 C ATOM 121 CG LEU A 8 8.220 8.876 -5.131 1.00 0.00 C ATOM 122 CD1 LEU A 8 7.845 9.480 -3.776 1.00 0.00 C ATOM 123 CD2 LEU A 8 8.011 9.866 -6.279 1.00 0.00 C ATOM 0 H LEU A 8 7.990 7.208 -3.695 1.00 0.00 H new ATOM 0 HA LEU A 8 10.730 6.744 -4.277 1.00 0.00 H new ATOM 0 HB2 LEU A 8 10.335 9.203 -5.181 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.814 7.751 -6.014 1.00 0.00 H new ATOM 0 HG LEU A 8 7.549 8.035 -5.305 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.819 9.846 -3.812 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.932 8.718 -3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.517 10.307 -3.548 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.982 10.225 -6.267 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.691 10.710 -6.160 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.212 9.370 -7.228 1.00 0.00 H new ATOM 134 N THR A 9 10.166 8.465 -1.690 1.00 0.00 N ATOM 135 CA THR A 9 10.769 9.193 -0.586 1.00 0.00 C ATOM 136 C THR A 9 11.511 8.230 0.345 1.00 0.00 C ATOM 137 O THR A 9 12.440 8.630 1.045 1.00 0.00 O ATOM 138 CB THR A 9 9.667 9.988 0.115 1.00 0.00 C ATOM 139 OG1 THR A 9 10.370 10.816 1.037 1.00 0.00 O ATOM 140 CG2 THR A 9 8.784 9.109 1.002 1.00 0.00 C ATOM 0 H THR A 9 9.228 8.110 -1.505 1.00 0.00 H new ATOM 0 HA THR A 9 11.521 9.898 -0.941 1.00 0.00 H new ATOM 0 HB THR A 9 9.049 10.487 -0.631 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.731 11.368 1.534 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.018 9.723 1.476 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.307 8.340 0.393 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.396 8.636 1.770 1.00 0.00 H new ATOM 148 N GLY A 10 11.071 6.980 0.323 1.00 0.00 N ATOM 149 CA GLY A 10 11.680 5.959 1.157 1.00 0.00 C ATOM 150 C GLY A 10 11.232 6.099 2.614 1.00 0.00 C ATOM 151 O GLY A 10 12.062 6.172 3.518 1.00 0.00 O ATOM 0 H GLY A 10 10.300 6.652 -0.259 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.410 4.971 0.784 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.766 6.036 1.098 1.00 0.00 H new ATOM 155 N LYS A 11 9.919 6.132 2.794 1.00 0.00 N ATOM 156 CA LYS A 11 9.350 6.263 4.125 1.00 0.00 C ATOM 157 C LYS A 11 8.673 4.949 4.516 1.00 0.00 C ATOM 158 O LYS A 11 8.441 4.089 3.667 1.00 0.00 O ATOM 159 CB LYS A 11 8.423 7.478 4.194 1.00 0.00 C ATOM 160 CG LYS A 11 7.174 7.264 3.338 1.00 0.00 C ATOM 161 CD LYS A 11 5.910 7.666 4.101 1.00 0.00 C ATOM 162 CE LYS A 11 5.487 9.093 3.750 1.00 0.00 C ATOM 163 NZ LYS A 11 5.885 10.031 4.824 1.00 0.00 N ATOM 0 H LYS A 11 9.234 6.070 2.041 1.00 0.00 H new ATOM 0 HA LYS A 11 10.134 6.448 4.859 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.132 7.660 5.229 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.955 8.366 3.852 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.252 7.850 2.422 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.107 6.217 3.042 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.102 6.975 3.862 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.089 7.590 5.174 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.946 9.393 2.808 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.407 9.133 3.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.590 10.995 4.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.427 9.753 5.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.918 10.005 4.943 1.00 0.00 H new ATOM 173 N THR A 12 8.371 4.834 5.801 1.00 0.00 N ATOM 174 CA THR A 12 7.725 3.639 6.315 1.00 0.00 C ATOM 175 C THR A 12 6.545 4.016 7.214 1.00 0.00 C ATOM 176 O THR A 12 6.706 4.769 8.172 1.00 0.00 O ATOM 177 CB THR A 12 8.784 2.795 7.026 1.00 0.00 C ATOM 178 OG1 THR A 12 9.277 1.927 6.009 1.00 0.00 O ATOM 179 CG2 THR A 12 8.180 1.847 8.063 1.00 0.00 C ATOM 0 H THR A 12 8.562 5.550 6.502 1.00 0.00 H new ATOM 0 HA THR A 12 7.302 3.041 5.508 1.00 0.00 H new ATOM 0 HB THR A 12 9.504 3.453 7.512 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.971 1.345 6.384 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.975 1.272 8.537 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.650 2.425 8.819 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.484 1.167 7.572 1.00 0.00 H new ATOM 187 N ILE A 13 5.385 3.474 6.871 1.00 0.00 N ATOM 188 CA ILE A 13 4.179 3.744 7.635 1.00 0.00 C ATOM 189 C ILE A 13 3.619 2.428 8.178 1.00 0.00 C ATOM 190 O ILE A 13 3.437 1.470 7.428 1.00 0.00 O ATOM 191 CB ILE A 13 3.178 4.537 6.794 1.00 0.00 C ATOM 192 CG1 ILE A 13 3.019 3.918 5.404 1.00 0.00 C ATOM 193 CG2 ILE A 13 3.571 6.014 6.722 1.00 0.00 C ATOM 194 CD1 ILE A 13 2.221 2.614 5.472 1.00 0.00 C ATOM 0 H ILE A 13 5.255 2.850 6.075 1.00 0.00 H new ATOM 0 HA ILE A 13 4.407 4.373 8.495 1.00 0.00 H new ATOM 0 HB ILE A 13 2.205 4.486 7.283 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.514 4.623 4.744 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.002 3.725 4.973 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.843 6.555 6.118 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.593 6.434 7.728 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.558 6.106 6.269 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.123 2.195 4.471 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.741 1.902 6.114 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.230 2.814 5.880 1.00 0.00 H new ATOM 205 N THR A 14 3.362 2.422 9.478 1.00 0.00 N ATOM 206 CA THR A 14 2.827 1.239 10.130 1.00 0.00 C ATOM 207 C THR A 14 1.317 1.140 9.899 1.00 0.00 C ATOM 208 O THR A 14 0.531 1.699 10.661 1.00 0.00 O ATOM 209 CB THR A 14 3.212 1.300 11.610 1.00 0.00 C ATOM 210 OG1 THR A 14 4.497 0.687 11.658 1.00 0.00 O ATOM 211 CG2 THR A 14 2.335 0.397 12.480 1.00 0.00 C ATOM 0 H THR A 14 3.514 3.218 10.097 1.00 0.00 H new ATOM 0 HA THR A 14 3.250 0.328 9.706 1.00 0.00 H new ATOM 0 HB THR A 14 3.137 2.328 11.964 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.619 0.120 10.868 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.650 0.477 13.520 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.294 0.706 12.391 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.436 -0.637 12.149 1.00 0.00 H new ATOM 219 N LEU A 15 0.959 0.424 8.844 1.00 0.00 N ATOM 220 CA LEU A 15 -0.442 0.244 8.502 1.00 0.00 C ATOM 221 C LEU A 15 -0.894 -1.151 8.940 1.00 0.00 C ATOM 222 O LEU A 15 -0.072 -1.985 9.314 1.00 0.00 O ATOM 223 CB LEU A 15 -0.672 0.527 7.016 1.00 0.00 C ATOM 224 CG LEU A 15 -1.658 1.652 6.693 1.00 0.00 C ATOM 225 CD1 LEU A 15 -1.031 2.675 5.744 1.00 0.00 C ATOM 226 CD2 LEU A 15 -2.971 1.090 6.143 1.00 0.00 C ATOM 0 H LEU A 15 1.615 -0.039 8.214 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.061 0.963 9.039 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.288 0.770 6.560 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.028 -0.388 6.543 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.895 2.175 7.620 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.753 3.464 5.531 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.146 3.109 6.210 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.747 2.182 4.814 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.654 1.910 5.922 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.772 0.527 5.231 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.424 0.431 6.884 1.00 0.00 H new ATOM 237 N GLU A 16 -2.201 -1.360 8.878 1.00 0.00 N ATOM 238 CA GLU A 16 -2.772 -2.640 9.263 1.00 0.00 C ATOM 239 C GLU A 16 -3.744 -3.132 8.189 1.00 0.00 C ATOM 240 O GLU A 16 -4.674 -2.419 7.815 1.00 0.00 O ATOM 241 CB GLU A 16 -3.463 -2.544 10.626 1.00 0.00 C ATOM 242 CG GLU A 16 -4.524 -1.441 10.626 1.00 0.00 C ATOM 243 CD GLU A 16 -5.825 -1.933 11.266 1.00 0.00 C ATOM 244 OE1 GLU A 16 -5.819 -2.105 12.504 1.00 0.00 O ATOM 245 OE2 GLU A 16 -6.794 -2.125 10.501 1.00 0.00 O ATOM 0 H GLU A 16 -2.880 -0.665 8.567 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.963 -3.365 9.352 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.927 -3.500 10.871 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.723 -2.341 11.400 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.152 -0.573 11.171 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.717 -1.117 9.603 1.00 0.00 H new ATOM 250 N VAL A 17 -3.497 -4.348 7.725 1.00 0.00 N ATOM 251 CA VAL A 17 -4.339 -4.943 6.702 1.00 0.00 C ATOM 252 C VAL A 17 -4.406 -6.457 6.919 1.00 0.00 C ATOM 253 O VAL A 17 -3.490 -7.047 7.491 1.00 0.00 O ATOM 254 CB VAL A 17 -3.824 -4.562 5.313 1.00 0.00 C ATOM 255 CG1 VAL A 17 -4.325 -3.175 4.904 1.00 0.00 C ATOM 256 CG2 VAL A 17 -2.296 -4.631 5.256 1.00 0.00 C ATOM 0 H VAL A 17 -2.726 -4.937 8.039 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.356 -4.558 6.774 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.219 -5.285 4.600 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.945 -2.928 3.913 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.415 -3.173 4.885 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.973 -2.435 5.622 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.956 -4.355 4.258 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.873 -3.941 5.986 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.969 -5.646 5.483 1.00 0.00 H new ATOM 266 N GLU A 18 -5.499 -7.042 6.454 1.00 0.00 N ATOM 267 CA GLU A 18 -5.698 -8.475 6.590 1.00 0.00 C ATOM 268 C GLU A 18 -5.088 -9.211 5.395 1.00 0.00 C ATOM 269 O GLU A 18 -5.020 -8.666 4.294 1.00 0.00 O ATOM 270 CB GLU A 18 -7.182 -8.810 6.742 1.00 0.00 C ATOM 271 CG GLU A 18 -7.577 -8.897 8.218 1.00 0.00 C ATOM 272 CD GLU A 18 -9.024 -9.371 8.372 1.00 0.00 C ATOM 273 OE1 GLU A 18 -9.903 -8.711 7.778 1.00 0.00 O ATOM 274 OE2 GLU A 18 -9.216 -10.383 9.080 1.00 0.00 O ATOM 0 H GLU A 18 -6.257 -6.549 5.982 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.190 -8.809 7.495 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.783 -8.048 6.245 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.397 -9.758 6.248 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.908 -9.584 8.737 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.459 -7.921 8.688 1.00 0.00 H new ATOM 279 N PRO A 19 -4.651 -10.471 5.659 1.00 0.00 N ATOM 280 CA PRO A 19 -4.050 -11.288 4.619 1.00 0.00 C ATOM 281 C PRO A 19 -5.113 -11.823 3.658 1.00 0.00 C ATOM 282 O PRO A 19 -4.787 -12.454 2.654 1.00 0.00 O ATOM 283 CB PRO A 19 -3.312 -12.390 5.361 1.00 0.00 C ATOM 284 CG PRO A 19 -3.908 -12.422 6.759 1.00 0.00 C ATOM 285 CD PRO A 19 -4.715 -11.149 6.950 1.00 0.00 C ATOM 0 HA PRO A 19 -3.365 -10.724 3.986 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.438 -13.350 4.861 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.242 -12.188 5.397 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.543 -13.299 6.883 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.120 -12.491 7.509 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.745 -11.371 7.230 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.296 -10.530 7.743 1.00 0.00 H new ATOM 290 N SER A 20 -6.364 -11.549 3.999 1.00 0.00 N ATOM 291 CA SER A 20 -7.478 -11.994 3.179 1.00 0.00 C ATOM 292 C SER A 20 -8.105 -10.801 2.456 1.00 0.00 C ATOM 293 O SER A 20 -9.133 -10.941 1.794 1.00 0.00 O ATOM 294 CB SER A 20 -8.529 -12.715 4.024 1.00 0.00 C ATOM 295 OG SER A 20 -7.952 -13.724 4.848 1.00 0.00 O ATOM 0 H SER A 20 -6.631 -11.024 4.832 1.00 0.00 H new ATOM 0 HA SER A 20 -7.099 -12.700 2.440 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.050 -11.990 4.650 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.275 -13.165 3.369 1.00 0.00 H new ATOM 0 HG SER A 20 -8.656 -14.160 5.373 1.00 0.00 H new ATOM 300 N ASP A 21 -7.461 -9.652 2.608 1.00 0.00 N ATOM 301 CA ASP A 21 -7.943 -8.435 1.977 1.00 0.00 C ATOM 302 C ASP A 21 -7.303 -8.294 0.594 1.00 0.00 C ATOM 303 O ASP A 21 -6.210 -8.805 0.357 1.00 0.00 O ATOM 304 CB ASP A 21 -7.568 -7.202 2.800 1.00 0.00 C ATOM 305 CG ASP A 21 -8.337 -7.042 4.113 1.00 0.00 C ATOM 306 OD1 ASP A 21 -9.295 -7.820 4.308 1.00 0.00 O ATOM 307 OD2 ASP A 21 -7.949 -6.145 4.893 1.00 0.00 O ATOM 0 H ASP A 21 -6.610 -9.539 3.159 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.028 -8.501 1.902 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.502 -7.244 3.024 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.731 -6.313 2.190 1.00 0.00 H new ATOM 311 N THR A 22 -8.012 -7.598 -0.282 1.00 0.00 N ATOM 312 CA THR A 22 -7.526 -7.382 -1.635 1.00 0.00 C ATOM 313 C THR A 22 -6.464 -6.282 -1.652 1.00 0.00 C ATOM 314 O THR A 22 -6.298 -5.559 -0.670 1.00 0.00 O ATOM 315 CB THR A 22 -8.732 -7.078 -2.527 1.00 0.00 C ATOM 316 OG1 THR A 22 -8.166 -6.888 -3.821 1.00 0.00 O ATOM 317 CG2 THR A 22 -9.376 -5.729 -2.201 1.00 0.00 C ATOM 0 H THR A 22 -8.919 -7.176 -0.082 1.00 0.00 H new ATOM 0 HA THR A 22 -7.031 -8.272 -2.024 1.00 0.00 H new ATOM 0 HB THR A 22 -9.473 -7.870 -2.418 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.878 -6.688 -4.463 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.226 -5.562 -2.862 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.716 -5.729 -1.165 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.645 -4.933 -2.343 1.00 0.00 H new ATOM 325 N ILE A 23 -5.773 -6.188 -2.777 1.00 0.00 N ATOM 326 CA ILE A 23 -4.731 -5.188 -2.935 1.00 0.00 C ATOM 327 C ILE A 23 -5.374 -3.823 -3.189 1.00 0.00 C ATOM 328 O ILE A 23 -4.681 -2.811 -3.272 1.00 0.00 O ATOM 329 CB ILE A 23 -3.740 -5.612 -4.021 1.00 0.00 C ATOM 330 CG1 ILE A 23 -3.340 -7.080 -3.855 1.00 0.00 C ATOM 331 CG2 ILE A 23 -2.522 -4.686 -4.043 1.00 0.00 C ATOM 332 CD1 ILE A 23 -2.154 -7.222 -2.900 1.00 0.00 C ATOM 0 H ILE A 23 -5.914 -6.788 -3.589 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.146 -5.100 -2.019 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.233 -5.519 -4.989 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.187 -7.650 -3.475 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.082 -7.502 -4.826 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.833 -5.009 -4.824 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.845 -3.665 -4.244 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.019 -4.724 -3.077 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.891 -8.275 -2.801 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.301 -6.671 -3.295 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.424 -6.822 -1.923 1.00 0.00 H new ATOM 343 N GLU A 24 -6.694 -3.840 -3.305 1.00 0.00 N ATOM 344 CA GLU A 24 -7.439 -2.616 -3.549 1.00 0.00 C ATOM 345 C GLU A 24 -7.850 -1.973 -2.223 1.00 0.00 C ATOM 346 O GLU A 24 -8.129 -0.776 -2.169 1.00 0.00 O ATOM 347 CB GLU A 24 -8.661 -2.884 -4.430 1.00 0.00 C ATOM 348 CG GLU A 24 -8.938 -1.699 -5.356 1.00 0.00 C ATOM 349 CD GLU A 24 -9.212 -2.173 -6.786 1.00 0.00 C ATOM 350 OE1 GLU A 24 -9.834 -3.249 -6.917 1.00 0.00 O ATOM 351 OE2 GLU A 24 -8.794 -1.449 -7.714 1.00 0.00 O ATOM 0 H GLU A 24 -7.266 -4.681 -3.235 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.792 -1.920 -4.084 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.496 -3.783 -5.023 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.532 -3.072 -3.803 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.794 -1.136 -4.985 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.084 -1.021 -5.351 1.00 0.00 H new ATOM 356 N ASN A 25 -7.876 -2.796 -1.185 1.00 0.00 N ATOM 357 CA ASN A 25 -8.249 -2.322 0.137 1.00 0.00 C ATOM 358 C ASN A 25 -6.997 -1.839 0.873 1.00 0.00 C ATOM 359 O ASN A 25 -7.052 -0.869 1.627 1.00 0.00 O ATOM 360 CB ASN A 25 -8.882 -3.443 0.966 1.00 0.00 C ATOM 361 CG ASN A 25 -10.269 -3.803 0.431 1.00 0.00 C ATOM 362 OD1 ASN A 25 -10.409 -3.620 -0.878 1.00 0.00 O flip ATOM 363 ND2 ASN A 25 -11.154 -4.220 1.161 1.00 0.00 N flip ATOM 0 H ASN A 25 -7.645 -3.788 -1.233 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.969 -1.513 0.014 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.240 -4.324 0.944 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.960 -3.131 2.007 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.979 -4.337 2.159 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.069 -4.451 0.773 1.00 0.00 H new ATOM 369 N VAL A 26 -5.899 -2.539 0.628 1.00 0.00 N ATOM 370 CA VAL A 26 -4.636 -2.194 1.258 1.00 0.00 C ATOM 371 C VAL A 26 -4.130 -0.870 0.682 1.00 0.00 C ATOM 372 O VAL A 26 -3.653 -0.009 1.422 1.00 0.00 O ATOM 373 CB VAL A 26 -3.636 -3.340 1.090 1.00 0.00 C ATOM 374 CG1 VAL A 26 -2.471 -3.199 2.071 1.00 0.00 C ATOM 375 CG2 VAL A 26 -4.327 -4.697 1.248 1.00 0.00 C ATOM 0 H VAL A 26 -5.858 -3.343 0.002 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.770 -2.053 2.330 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.230 -3.286 0.080 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.775 -4.026 1.931 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.955 -2.256 1.890 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.851 -3.214 3.092 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.595 -5.495 1.124 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.773 -4.765 2.240 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.106 -4.799 0.492 1.00 0.00 H new ATOM 385 N LYS A 27 -4.250 -0.747 -0.631 1.00 0.00 N ATOM 386 CA LYS A 27 -3.811 0.457 -1.314 1.00 0.00 C ATOM 387 C LYS A 27 -4.879 1.541 -1.166 1.00 0.00 C ATOM 388 O LYS A 27 -4.666 2.687 -1.560 1.00 0.00 O ATOM 389 CB LYS A 27 -3.447 0.147 -2.768 1.00 0.00 C ATOM 390 CG LYS A 27 -4.594 0.516 -3.711 1.00 0.00 C ATOM 391 CD LYS A 27 -4.182 0.332 -5.173 1.00 0.00 C ATOM 392 CE LYS A 27 -3.203 -0.833 -5.325 1.00 0.00 C ATOM 393 NZ LYS A 27 -3.009 -1.164 -6.754 1.00 0.00 N ATOM 0 H LYS A 27 -4.646 -1.463 -1.241 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.900 0.842 -0.857 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.550 0.699 -3.048 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.214 -0.913 -2.870 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.463 -0.105 -3.493 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.891 1.551 -3.541 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.067 0.150 -5.783 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.722 1.248 -5.543 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.246 -0.573 -4.873 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.581 -1.705 -4.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.291 -1.911 -6.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.907 -1.497 -7.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.692 -0.316 -7.267 1.00 0.00 H new ATOM 403 N ALA A 28 -6.007 1.142 -0.597 1.00 0.00 N ATOM 404 CA ALA A 28 -7.111 2.065 -0.392 1.00 0.00 C ATOM 405 C ALA A 28 -6.971 2.722 0.983 1.00 0.00 C ATOM 406 O ALA A 28 -7.125 3.936 1.113 1.00 0.00 O ATOM 407 CB ALA A 28 -8.437 1.319 -0.549 1.00 0.00 C ATOM 0 H ALA A 28 -6.181 0.191 -0.271 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.093 2.857 -1.140 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.265 2.012 -0.395 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.500 0.896 -1.551 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.493 0.517 0.188 1.00 0.00 H new ATOM 413 N LYS A 29 -6.680 1.891 1.973 1.00 0.00 N ATOM 414 CA LYS A 29 -6.518 2.377 3.333 1.00 0.00 C ATOM 415 C LYS A 29 -5.707 3.674 3.314 1.00 0.00 C ATOM 416 O LYS A 29 -6.064 4.644 3.980 1.00 0.00 O ATOM 417 CB LYS A 29 -5.916 1.288 4.223 1.00 0.00 C ATOM 418 CG LYS A 29 -6.872 0.917 5.359 1.00 0.00 C ATOM 419 CD LYS A 29 -6.216 -0.071 6.326 1.00 0.00 C ATOM 420 CE LYS A 29 -7.270 -0.921 7.039 1.00 0.00 C ATOM 421 NZ LYS A 29 -7.728 -2.022 6.161 1.00 0.00 N ATOM 0 H LYS A 29 -6.552 0.885 1.861 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.488 2.614 3.771 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.697 0.404 3.624 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.970 1.635 4.638 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.169 1.817 5.898 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.781 0.479 4.946 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.530 -0.718 5.780 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.624 0.473 7.062 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.854 -1.331 7.959 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.118 -0.297 7.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.678 -2.327 6.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.759 -1.690 5.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.069 -2.823 6.236 1.00 0.00 H new ATOM 431 N ILE A 30 -4.629 3.648 2.544 1.00 0.00 N ATOM 432 CA ILE A 30 -3.763 4.810 2.429 1.00 0.00 C ATOM 433 C ILE A 30 -4.572 5.993 1.894 1.00 0.00 C ATOM 434 O ILE A 30 -4.420 7.118 2.367 1.00 0.00 O ATOM 435 CB ILE A 30 -2.529 4.478 1.587 1.00 0.00 C ATOM 436 CG1 ILE A 30 -2.922 3.734 0.308 1.00 0.00 C ATOM 437 CG2 ILE A 30 -1.498 3.701 2.407 1.00 0.00 C ATOM 438 CD1 ILE A 30 -1.813 3.823 -0.741 1.00 0.00 C ATOM 0 H ILE A 30 -4.335 2.841 1.994 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.383 5.100 3.409 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.060 5.414 1.285 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.126 2.688 0.539 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.843 4.157 -0.094 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.631 3.478 1.785 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.186 4.301 3.262 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.941 2.770 2.760 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.118 3.286 -1.639 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.629 4.869 -0.988 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.901 3.378 -0.345 1.00 0.00 H new ATOM 449 N GLN A 31 -5.415 5.698 0.916 1.00 0.00 N ATOM 450 CA GLN A 31 -6.249 6.724 0.312 1.00 0.00 C ATOM 451 C GLN A 31 -7.117 7.398 1.377 1.00 0.00 C ATOM 452 O GLN A 31 -7.676 8.468 1.141 1.00 0.00 O ATOM 453 CB GLN A 31 -7.112 6.140 -0.808 1.00 0.00 C ATOM 454 CG GLN A 31 -6.263 5.329 -1.789 1.00 0.00 C ATOM 455 CD GLN A 31 -5.091 6.160 -2.316 1.00 0.00 C ATOM 456 OE1 GLN A 31 -5.065 6.591 -3.457 1.00 0.00 O ATOM 457 NE2 GLN A 31 -4.125 6.360 -1.424 1.00 0.00 N ATOM 0 H GLN A 31 -5.539 4.763 0.526 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.599 7.479 -0.130 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -7.887 5.504 -0.381 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.618 6.946 -1.340 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.886 4.434 -1.295 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.882 4.997 -2.623 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.209 5.971 -0.485 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -3.300 6.902 -1.679 1.00 0.00 H new ATOM 464 N ASP A 32 -7.201 6.744 2.526 1.00 0.00 N ATOM 465 CA ASP A 32 -7.991 7.267 3.628 1.00 0.00 C ATOM 466 C ASP A 32 -7.104 8.146 4.513 1.00 0.00 C ATOM 467 O ASP A 32 -7.606 8.979 5.266 1.00 0.00 O ATOM 468 CB ASP A 32 -8.548 6.134 4.493 1.00 0.00 C ATOM 469 CG ASP A 32 -10.033 6.254 4.839 1.00 0.00 C ATOM 470 OD1 ASP A 32 -10.330 6.964 5.825 1.00 0.00 O ATOM 471 OD2 ASP A 32 -10.837 5.634 4.110 1.00 0.00 O ATOM 0 H ASP A 32 -6.735 5.857 2.718 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.818 7.840 3.208 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.387 5.189 3.975 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.977 6.091 5.420 1.00 0.00 H new ATOM 475 N LYS A 33 -5.803 7.929 4.392 1.00 0.00 N ATOM 476 CA LYS A 33 -4.843 8.691 5.172 1.00 0.00 C ATOM 477 C LYS A 33 -4.463 9.960 4.406 1.00 0.00 C ATOM 478 O LYS A 33 -4.542 11.063 4.946 1.00 0.00 O ATOM 479 CB LYS A 33 -3.644 7.818 5.548 1.00 0.00 C ATOM 480 CG LYS A 33 -4.078 6.638 6.420 1.00 0.00 C ATOM 481 CD LYS A 33 -3.581 6.806 7.857 1.00 0.00 C ATOM 482 CE LYS A 33 -2.378 5.901 8.131 1.00 0.00 C ATOM 483 NZ LYS A 33 -1.605 6.402 9.289 1.00 0.00 N ATOM 0 H LYS A 33 -5.391 7.237 3.766 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.286 9.008 6.116 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.161 7.448 4.644 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.906 8.417 6.081 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.165 6.558 6.414 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.688 5.710 6.003 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.305 7.846 8.031 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.385 6.569 8.554 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.718 4.884 8.326 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.738 5.860 7.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.792 5.776 9.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.265 7.364 9.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.214 6.418 10.132 1.00 0.00 H new ATOM 493 N GLU A 34 -4.058 9.762 3.159 1.00 0.00 N ATOM 494 CA GLU A 34 -3.666 10.876 2.314 1.00 0.00 C ATOM 495 C GLU A 34 -4.904 11.583 1.759 1.00 0.00 C ATOM 496 O GLU A 34 -4.902 12.801 1.583 1.00 0.00 O ATOM 497 CB GLU A 34 -2.747 10.410 1.183 1.00 0.00 C ATOM 498 CG GLU A 34 -3.296 9.147 0.517 1.00 0.00 C ATOM 499 CD GLU A 34 -2.453 7.923 0.884 1.00 0.00 C ATOM 500 OE1 GLU A 34 -2.148 7.785 2.088 1.00 0.00 O ATOM 501 OE2 GLU A 34 -2.133 7.154 -0.049 1.00 0.00 O ATOM 0 H GLU A 34 -3.993 8.846 2.715 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.107 11.588 2.921 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.646 11.202 0.441 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.750 10.214 1.577 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.329 8.988 0.827 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.304 9.276 -0.565 1.00 0.00 H new ATOM 506 N GLY A 35 -5.932 10.788 1.496 1.00 0.00 N ATOM 507 CA GLY A 35 -7.174 11.323 0.965 1.00 0.00 C ATOM 508 C GLY A 35 -7.101 11.468 -0.557 1.00 0.00 C ATOM 509 O GLY A 35 -7.772 12.321 -1.136 1.00 0.00 O ATOM 0 H GLY A 35 -5.930 9.778 1.641 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.001 10.665 1.232 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.379 12.293 1.417 1.00 0.00 H new ATOM 513 N ILE A 36 -6.280 10.622 -1.162 1.00 0.00 N ATOM 514 CA ILE A 36 -6.110 10.646 -2.604 1.00 0.00 C ATOM 515 C ILE A 36 -6.564 9.306 -3.189 1.00 0.00 C ATOM 516 O ILE A 36 -6.528 8.284 -2.506 1.00 0.00 O ATOM 517 CB ILE A 36 -4.672 11.021 -2.969 1.00 0.00 C ATOM 518 CG1 ILE A 36 -3.920 9.818 -3.539 1.00 0.00 C ATOM 519 CG2 ILE A 36 -3.946 11.636 -1.771 1.00 0.00 C ATOM 520 CD1 ILE A 36 -2.527 10.223 -4.027 1.00 0.00 C ATOM 0 H ILE A 36 -5.725 9.915 -0.679 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.738 11.418 -3.049 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.704 11.780 -3.751 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.831 9.045 -2.776 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.487 9.388 -4.364 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.926 11.894 -2.057 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.471 12.536 -1.450 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.923 10.918 -0.952 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.013 9.349 -4.428 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.620 10.978 -4.807 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.954 10.630 -3.194 1.00 0.00 H new ATOM 531 N PRO A 37 -6.988 9.357 -4.480 1.00 0.00 N ATOM 532 CA PRO A 37 -7.448 8.161 -5.163 1.00 0.00 C ATOM 533 C PRO A 37 -6.270 7.264 -5.551 1.00 0.00 C ATOM 534 O PRO A 37 -5.222 7.756 -5.964 1.00 0.00 O ATOM 535 CB PRO A 37 -8.228 8.669 -6.366 1.00 0.00 C ATOM 536 CG PRO A 37 -7.786 10.110 -6.569 1.00 0.00 C ATOM 537 CD PRO A 37 -7.044 10.551 -5.319 1.00 0.00 C ATOM 0 HA PRO A 37 -8.078 7.533 -4.533 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.018 8.067 -7.250 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.302 8.611 -6.189 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.141 10.192 -7.444 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.649 10.752 -6.747 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.044 10.913 -5.559 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.566 11.365 -4.815 1.00 0.00 H new ATOM 542 N PRO A 38 -6.489 5.930 -5.400 1.00 0.00 N ATOM 543 CA PRO A 38 -5.458 4.960 -5.728 1.00 0.00 C ATOM 544 C PRO A 38 -5.319 4.801 -7.244 1.00 0.00 C ATOM 545 O PRO A 38 -4.293 4.328 -7.730 1.00 0.00 O ATOM 546 CB PRO A 38 -5.887 3.679 -5.034 1.00 0.00 C ATOM 547 CG PRO A 38 -7.367 3.845 -4.729 1.00 0.00 C ATOM 548 CD PRO A 38 -7.719 5.313 -4.913 1.00 0.00 C ATOM 0 HA PRO A 38 -4.468 5.267 -5.390 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.715 2.813 -5.672 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.315 3.520 -4.120 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.966 3.223 -5.394 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.585 3.525 -3.710 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -8.534 5.439 -5.626 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -8.043 5.763 -3.975 1.00 0.00 H new ATOM 553 N ASP A 39 -6.367 5.204 -7.948 1.00 0.00 N ATOM 554 CA ASP A 39 -6.375 5.112 -9.398 1.00 0.00 C ATOM 555 C ASP A 39 -5.042 5.628 -9.944 1.00 0.00 C ATOM 556 O ASP A 39 -4.606 5.215 -11.018 1.00 0.00 O ATOM 557 CB ASP A 39 -7.495 5.965 -9.998 1.00 0.00 C ATOM 558 CG ASP A 39 -8.564 5.184 -10.764 1.00 0.00 C ATOM 559 OD1 ASP A 39 -9.033 4.168 -10.205 1.00 0.00 O ATOM 560 OD2 ASP A 39 -8.888 5.619 -11.889 1.00 0.00 O ATOM 0 H ASP A 39 -7.217 5.595 -7.541 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.533 4.068 -9.669 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.978 6.520 -9.194 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.051 6.699 -10.670 1.00 0.00 H new ATOM 564 N GLN A 40 -4.433 6.523 -9.182 1.00 0.00 N ATOM 565 CA GLN A 40 -3.158 7.099 -9.576 1.00 0.00 C ATOM 566 C GLN A 40 -2.005 6.335 -8.923 1.00 0.00 C ATOM 567 O GLN A 40 -1.239 5.656 -9.606 1.00 0.00 O ATOM 568 CB GLN A 40 -3.098 8.588 -9.226 1.00 0.00 C ATOM 569 CG GLN A 40 -4.003 9.405 -10.149 1.00 0.00 C ATOM 570 CD GLN A 40 -5.448 8.907 -10.082 1.00 0.00 C ATOM 571 OE1 GLN A 40 -5.912 8.757 -8.845 1.00 0.00 O flip ATOM 572 NE2 GLN A 40 -6.099 8.672 -11.088 1.00 0.00 N flip ATOM 0 H GLN A 40 -4.798 6.864 -8.293 1.00 0.00 H new ATOM 0 HA GLN A 40 -3.060 7.009 -10.658 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -3.403 8.734 -8.190 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -2.071 8.944 -9.310 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.964 10.457 -9.865 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.639 9.338 -11.174 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -5.682 8.809 -12.009 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -7.060 8.339 -11.008 1.00 0.00 H new ATOM 579 N GLN A 41 -1.917 6.470 -7.608 1.00 0.00 N ATOM 580 CA GLN A 41 -0.871 5.801 -6.855 1.00 0.00 C ATOM 581 C GLN A 41 -0.859 4.305 -7.176 1.00 0.00 C ATOM 582 O GLN A 41 -1.858 3.758 -7.640 1.00 0.00 O ATOM 583 CB GLN A 41 -1.038 6.038 -5.352 1.00 0.00 C ATOM 584 CG GLN A 41 -1.013 7.532 -5.028 1.00 0.00 C ATOM 585 CD GLN A 41 0.410 8.005 -4.724 1.00 0.00 C ATOM 586 OE1 GLN A 41 1.320 7.872 -5.527 1.00 0.00 O ATOM 587 NE2 GLN A 41 0.551 8.561 -3.525 1.00 0.00 N ATOM 0 H GLN A 41 -2.554 7.033 -7.045 1.00 0.00 H new ATOM 0 HA GLN A 41 0.089 6.224 -7.151 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.979 5.604 -5.014 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.240 5.531 -4.809 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.416 8.097 -5.869 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.657 7.733 -4.172 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.253 8.641 -2.902 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.463 8.908 -3.228 1.00 0.00 H new ATOM 594 N ARG A 42 0.283 3.684 -6.916 1.00 0.00 N ATOM 595 CA ARG A 42 0.437 2.263 -7.172 1.00 0.00 C ATOM 596 C ARG A 42 1.509 1.671 -6.253 1.00 0.00 C ATOM 597 O ARG A 42 2.661 2.099 -6.284 1.00 0.00 O ATOM 598 CB ARG A 42 0.824 2.004 -8.629 1.00 0.00 C ATOM 599 CG ARG A 42 0.478 0.572 -9.041 1.00 0.00 C ATOM 600 CD ARG A 42 1.494 0.031 -10.050 1.00 0.00 C ATOM 601 NE ARG A 42 0.897 0.002 -11.404 1.00 0.00 N ATOM 602 CZ ARG A 42 0.780 1.077 -12.196 1.00 0.00 C ATOM 603 NH1 ARG A 42 1.217 2.271 -11.775 1.00 0.00 N ATOM 604 NH2 ARG A 42 0.224 0.957 -13.410 1.00 0.00 N ATOM 0 H ARG A 42 1.110 4.140 -6.531 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.522 1.785 -6.973 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.304 2.709 -9.278 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.892 2.177 -8.762 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.459 -0.069 -8.160 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.521 0.546 -9.476 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.387 0.657 -10.051 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.808 -0.972 -9.760 1.00 0.00 H new ATOM 0 HE ARG A 42 0.553 -0.891 -11.756 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.639 2.363 -10.851 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.128 3.089 -12.378 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.110 0.048 -13.730 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.135 1.775 -14.013 1.00 0.00 H new ATOM 615 N LEU A 43 1.091 0.698 -5.459 1.00 0.00 N ATOM 616 CA LEU A 43 2.000 0.043 -4.534 1.00 0.00 C ATOM 617 C LEU A 43 2.738 -1.082 -5.261 1.00 0.00 C ATOM 618 O LEU A 43 2.188 -1.705 -6.169 1.00 0.00 O ATOM 619 CB LEU A 43 1.251 -0.419 -3.282 1.00 0.00 C ATOM 620 CG LEU A 43 0.860 0.678 -2.290 1.00 0.00 C ATOM 621 CD1 LEU A 43 2.029 1.025 -1.367 1.00 0.00 C ATOM 622 CD2 LEU A 43 0.320 1.909 -3.021 1.00 0.00 C ATOM 0 H LEU A 43 0.134 0.346 -5.437 1.00 0.00 H new ATOM 0 HA LEU A 43 2.756 0.745 -4.182 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.345 -0.937 -3.596 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.871 -1.148 -2.761 1.00 0.00 H new ATOM 0 HG LEU A 43 0.056 0.299 -1.660 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.724 1.807 -0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.326 0.138 -0.807 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.871 1.377 -1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.049 2.674 -2.294 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.086 2.300 -3.691 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.561 1.631 -3.600 1.00 0.00 H new ATOM 633 N ILE A 44 3.972 -1.310 -4.835 1.00 0.00 N ATOM 634 CA ILE A 44 4.791 -2.350 -5.435 1.00 0.00 C ATOM 635 C ILE A 44 5.290 -3.295 -4.340 1.00 0.00 C ATOM 636 O ILE A 44 5.451 -2.888 -3.191 1.00 0.00 O ATOM 637 CB ILE A 44 5.913 -1.733 -6.273 1.00 0.00 C ATOM 638 CG1 ILE A 44 5.369 -0.639 -7.195 1.00 0.00 C ATOM 639 CG2 ILE A 44 6.673 -2.810 -7.048 1.00 0.00 C ATOM 640 CD1 ILE A 44 5.070 -1.196 -8.589 1.00 0.00 C ATOM 0 H ILE A 44 4.424 -0.792 -4.082 1.00 0.00 H new ATOM 0 HA ILE A 44 4.199 -2.948 -6.128 1.00 0.00 H new ATOM 0 HB ILE A 44 6.625 -1.260 -5.597 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.461 -0.215 -6.766 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.094 0.171 -7.271 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.465 -2.345 -7.635 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.111 -3.522 -6.348 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.986 -3.332 -7.714 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.685 -0.399 -9.224 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.985 -1.597 -9.025 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.327 -1.990 -8.512 1.00 0.00 H new ATOM 651 N PHE A 45 5.520 -4.539 -4.735 1.00 0.00 N ATOM 652 CA PHE A 45 5.997 -5.544 -3.802 1.00 0.00 C ATOM 653 C PHE A 45 6.863 -6.585 -4.513 1.00 0.00 C ATOM 654 O PHE A 45 6.397 -7.271 -5.420 1.00 0.00 O ATOM 655 CB PHE A 45 4.763 -6.236 -3.220 1.00 0.00 C ATOM 656 CG PHE A 45 5.064 -7.146 -2.027 1.00 0.00 C ATOM 657 CD1 PHE A 45 5.655 -6.634 -0.914 1.00 0.00 C ATOM 658 CD2 PHE A 45 4.740 -8.466 -2.080 1.00 0.00 C ATOM 659 CE1 PHE A 45 5.934 -7.479 0.193 1.00 0.00 C ATOM 660 CE2 PHE A 45 5.020 -9.310 -0.973 1.00 0.00 C ATOM 661 CZ PHE A 45 5.611 -8.799 0.140 1.00 0.00 C ATOM 0 H PHE A 45 5.385 -4.873 -5.689 1.00 0.00 H new ATOM 0 HA PHE A 45 6.603 -5.074 -3.027 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.045 -5.476 -2.912 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.287 -6.826 -4.003 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.912 -5.586 -0.872 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.270 -8.872 -2.964 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.403 -7.073 1.077 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.763 -10.358 -1.015 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.824 -9.441 0.982 1.00 0.00 H new ATOM 670 N ALA A 46 8.111 -6.671 -4.073 1.00 0.00 N ATOM 671 CA ALA A 46 9.047 -7.616 -4.657 1.00 0.00 C ATOM 672 C ALA A 46 9.370 -7.189 -6.090 1.00 0.00 C ATOM 673 O ALA A 46 9.812 -8.004 -6.900 1.00 0.00 O ATOM 674 CB ALA A 46 8.457 -9.026 -4.587 1.00 0.00 C ATOM 0 H ALA A 46 8.495 -6.101 -3.319 1.00 0.00 H new ATOM 0 HA ALA A 46 9.983 -7.625 -4.098 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.158 -9.736 -5.025 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.273 -9.292 -3.546 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.518 -9.055 -5.140 1.00 0.00 H new ATOM 680 N GLY A 47 9.137 -5.914 -6.360 1.00 0.00 N ATOM 681 CA GLY A 47 9.398 -5.368 -7.682 1.00 0.00 C ATOM 682 C GLY A 47 8.268 -5.719 -8.652 1.00 0.00 C ATOM 683 O GLY A 47 8.308 -5.338 -9.821 1.00 0.00 O ATOM 0 H GLY A 47 8.770 -5.242 -5.686 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.504 -4.285 -7.618 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.342 -5.759 -8.061 1.00 0.00 H new ATOM 687 N LYS A 48 7.286 -6.441 -8.131 1.00 0.00 N ATOM 688 CA LYS A 48 6.148 -6.846 -8.937 1.00 0.00 C ATOM 689 C LYS A 48 5.017 -5.830 -8.762 1.00 0.00 C ATOM 690 O LYS A 48 4.922 -5.175 -7.725 1.00 0.00 O ATOM 691 CB LYS A 48 5.740 -8.283 -8.604 1.00 0.00 C ATOM 692 CG LYS A 48 4.690 -8.311 -7.491 1.00 0.00 C ATOM 693 CD LYS A 48 4.936 -9.482 -6.536 1.00 0.00 C ATOM 694 CE LYS A 48 4.139 -10.715 -6.963 1.00 0.00 C ATOM 695 NZ LYS A 48 4.940 -11.943 -6.766 1.00 0.00 N ATOM 0 H LYS A 48 7.256 -6.755 -7.161 1.00 0.00 H new ATOM 0 HA LYS A 48 6.413 -6.851 -9.994 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.343 -8.768 -9.496 1.00 0.00 H new ATOM 0 HB3 LYS A 48 6.617 -8.852 -8.296 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.717 -7.373 -6.937 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.695 -8.395 -7.927 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.999 -9.721 -6.515 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.654 -9.195 -5.523 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.217 -10.778 -6.384 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.852 -10.625 -8.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.384 -12.771 -7.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.807 -11.887 -7.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.192 -12.035 -5.761 1.00 0.00 H new ATOM 705 N GLN A 49 4.189 -5.732 -9.792 1.00 0.00 N ATOM 706 CA GLN A 49 3.068 -4.806 -9.764 1.00 0.00 C ATOM 707 C GLN A 49 1.918 -5.390 -8.941 1.00 0.00 C ATOM 708 O GLN A 49 1.149 -6.212 -9.437 1.00 0.00 O ATOM 709 CB GLN A 49 2.607 -4.462 -11.182 1.00 0.00 C ATOM 710 CG GLN A 49 1.383 -3.546 -11.153 1.00 0.00 C ATOM 711 CD GLN A 49 0.386 -3.927 -12.251 1.00 0.00 C ATOM 712 OE1 GLN A 49 -0.201 -5.104 -12.062 1.00 0.00 O flip ATOM 713 NE2 GLN A 49 0.168 -3.200 -13.205 1.00 0.00 N flip ATOM 0 H GLN A 49 4.271 -6.277 -10.650 1.00 0.00 H new ATOM 0 HA GLN A 49 3.397 -3.882 -9.289 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.418 -3.975 -11.724 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.368 -5.378 -11.723 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.899 -3.611 -10.179 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.696 -2.510 -11.285 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.655 -2.308 -13.288 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.501 -3.484 -13.920 1.00 0.00 H new ATOM 720 N LEU A 50 1.837 -4.942 -7.697 1.00 0.00 N ATOM 721 CA LEU A 50 0.793 -5.410 -6.800 1.00 0.00 C ATOM 722 C LEU A 50 -0.522 -5.531 -7.573 1.00 0.00 C ATOM 723 O LEU A 50 -0.828 -6.589 -8.120 1.00 0.00 O ATOM 724 CB LEU A 50 0.701 -4.506 -5.568 1.00 0.00 C ATOM 725 CG LEU A 50 0.962 -5.181 -4.221 1.00 0.00 C ATOM 726 CD1 LEU A 50 1.992 -6.303 -4.360 1.00 0.00 C ATOM 727 CD2 LEU A 50 1.374 -4.153 -3.164 1.00 0.00 C ATOM 0 H LEU A 50 2.477 -4.260 -7.289 1.00 0.00 H new ATOM 0 HA LEU A 50 1.033 -6.404 -6.422 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.413 -3.689 -5.687 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.293 -4.060 -5.542 1.00 0.00 H new ATOM 0 HG LEU A 50 0.032 -5.638 -3.882 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.159 -6.766 -3.388 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.622 -7.052 -5.060 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.930 -5.891 -4.732 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.554 -4.659 -2.215 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.285 -3.647 -3.484 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.577 -3.420 -3.039 1.00 0.00 H new ATOM 738 N GLU A 51 -1.263 -4.434 -7.593 1.00 0.00 N ATOM 739 CA GLU A 51 -2.538 -4.404 -8.291 1.00 0.00 C ATOM 740 C GLU A 51 -3.576 -5.235 -7.534 1.00 0.00 C ATOM 741 O GLU A 51 -3.233 -6.225 -6.889 1.00 0.00 O ATOM 742 CB GLU A 51 -2.386 -4.894 -9.731 1.00 0.00 C ATOM 743 CG GLU A 51 -3.611 -4.523 -10.570 1.00 0.00 C ATOM 744 CD GLU A 51 -3.661 -5.342 -11.861 1.00 0.00 C ATOM 745 OE1 GLU A 51 -3.715 -6.585 -11.741 1.00 0.00 O ATOM 746 OE2 GLU A 51 -3.645 -4.707 -12.937 1.00 0.00 O ATOM 0 H GLU A 51 -1.006 -3.559 -7.137 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.886 -3.372 -8.329 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.491 -4.457 -10.175 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.250 -5.975 -9.738 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.518 -4.695 -9.991 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.583 -3.460 -10.810 1.00 0.00 H new ATOM 751 N ASP A 52 -4.823 -4.803 -7.639 1.00 0.00 N ATOM 752 CA ASP A 52 -5.914 -5.495 -6.974 1.00 0.00 C ATOM 753 C ASP A 52 -5.703 -7.005 -7.095 1.00 0.00 C ATOM 754 O ASP A 52 -5.423 -7.678 -6.104 1.00 0.00 O ATOM 755 CB ASP A 52 -7.259 -5.152 -7.617 1.00 0.00 C ATOM 756 CG ASP A 52 -7.208 -4.894 -9.124 1.00 0.00 C ATOM 757 OD1 ASP A 52 -6.541 -3.908 -9.509 1.00 0.00 O ATOM 758 OD2 ASP A 52 -7.834 -5.687 -9.858 1.00 0.00 O ATOM 0 H ASP A 52 -5.103 -3.982 -8.175 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.924 -5.182 -5.930 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.955 -5.969 -7.427 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.665 -4.268 -7.126 1.00 0.00 H new ATOM 762 N GLY A 53 -5.845 -7.494 -8.318 1.00 0.00 N ATOM 763 CA GLY A 53 -5.674 -8.913 -8.582 1.00 0.00 C ATOM 764 C GLY A 53 -6.304 -9.757 -7.471 1.00 0.00 C ATOM 765 O GLY A 53 -7.514 -9.970 -7.461 1.00 0.00 O ATOM 0 H GLY A 53 -6.077 -6.933 -9.138 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.130 -9.166 -9.539 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.612 -9.146 -8.663 1.00 0.00 H new ATOM 769 N ARG A 54 -5.452 -10.215 -6.565 1.00 0.00 N ATOM 770 CA ARG A 54 -5.911 -11.030 -5.454 1.00 0.00 C ATOM 771 C ARG A 54 -5.684 -10.299 -4.128 1.00 0.00 C ATOM 772 O ARG A 54 -5.715 -9.070 -4.081 1.00 0.00 O ATOM 773 CB ARG A 54 -5.180 -12.374 -5.418 1.00 0.00 C ATOM 774 CG ARG A 54 -5.046 -12.963 -6.824 1.00 0.00 C ATOM 775 CD ARG A 54 -6.393 -13.485 -7.329 1.00 0.00 C ATOM 776 NE ARG A 54 -6.510 -14.934 -7.054 1.00 0.00 N ATOM 777 CZ ARG A 54 -5.728 -15.870 -7.609 1.00 0.00 C ATOM 778 NH1 ARG A 54 -4.769 -15.514 -8.476 1.00 0.00 N ATOM 779 NH2 ARG A 54 -5.906 -17.161 -7.301 1.00 0.00 N ATOM 0 H ARG A 54 -4.448 -10.037 -6.578 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.977 -11.211 -5.595 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.191 -12.242 -4.979 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.723 -13.070 -4.778 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.667 -12.202 -7.507 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.318 -13.774 -6.815 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -7.206 -12.947 -6.842 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.485 -13.301 -8.399 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.231 -15.240 -6.401 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.635 -14.531 -8.713 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.174 -16.226 -8.899 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.637 -17.432 -6.644 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.310 -17.873 -7.724 1.00 0.00 H new ATOM 790 N THR A 55 -5.460 -11.084 -3.086 1.00 0.00 N ATOM 791 CA THR A 55 -5.227 -10.528 -1.765 1.00 0.00 C ATOM 792 C THR A 55 -3.750 -10.650 -1.386 1.00 0.00 C ATOM 793 O THR A 55 -2.935 -11.101 -2.189 1.00 0.00 O ATOM 794 CB THR A 55 -6.166 -11.230 -0.783 1.00 0.00 C ATOM 795 OG1 THR A 55 -5.993 -12.616 -1.069 1.00 0.00 O ATOM 796 CG2 THR A 55 -7.642 -10.968 -1.093 1.00 0.00 C ATOM 0 H THR A 55 -5.435 -12.103 -3.130 1.00 0.00 H new ATOM 0 HA THR A 55 -5.448 -9.461 -1.742 1.00 0.00 H new ATOM 0 HB THR A 55 -5.944 -10.898 0.231 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.507 -12.852 -1.869 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.265 -11.489 -0.366 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.841 -9.898 -1.039 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.873 -11.330 -2.095 1.00 0.00 H new ATOM 804 N LEU A 56 -3.449 -10.241 -0.163 1.00 0.00 N ATOM 805 CA LEU A 56 -2.084 -10.300 0.332 1.00 0.00 C ATOM 806 C LEU A 56 -1.659 -11.763 0.470 1.00 0.00 C ATOM 807 O LEU A 56 -0.538 -12.124 0.112 1.00 0.00 O ATOM 808 CB LEU A 56 -1.948 -9.495 1.627 1.00 0.00 C ATOM 809 CG LEU A 56 -2.645 -8.132 1.646 1.00 0.00 C ATOM 810 CD1 LEU A 56 -2.326 -7.372 2.934 1.00 0.00 C ATOM 811 CD2 LEU A 56 -2.292 -7.320 0.398 1.00 0.00 C ATOM 0 H LEU A 56 -4.127 -9.867 0.501 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.401 -9.835 -0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.343 -10.094 2.447 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.887 -9.341 1.826 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.722 -8.297 1.629 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.833 -6.407 2.922 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.667 -7.951 3.792 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.250 -7.215 3.007 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.800 -6.356 0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.214 -7.161 0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.610 -7.863 -0.492 1.00 0.00 H new ATOM 822 N SER A 57 -2.575 -12.566 0.990 1.00 0.00 N ATOM 823 CA SER A 57 -2.309 -13.982 1.180 1.00 0.00 C ATOM 824 C SER A 57 -2.012 -14.644 -0.167 1.00 0.00 C ATOM 825 O SER A 57 -1.112 -15.475 -0.270 1.00 0.00 O ATOM 826 CB SER A 57 -3.488 -14.677 1.864 1.00 0.00 C ATOM 827 OG SER A 57 -3.314 -16.090 1.921 1.00 0.00 O ATOM 0 H SER A 57 -3.503 -12.263 1.286 1.00 0.00 H new ATOM 0 HA SER A 57 -1.438 -14.082 1.827 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.604 -14.285 2.874 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.407 -14.446 1.325 1.00 0.00 H new ATOM 0 HG SER A 57 -4.087 -16.497 2.366 1.00 0.00 H new ATOM 832 N ASP A 58 -2.786 -14.250 -1.168 1.00 0.00 N ATOM 833 CA ASP A 58 -2.618 -14.794 -2.504 1.00 0.00 C ATOM 834 C ASP A 58 -1.306 -14.277 -3.099 1.00 0.00 C ATOM 835 O ASP A 58 -0.676 -14.959 -3.904 1.00 0.00 O ATOM 836 CB ASP A 58 -3.759 -14.357 -3.425 1.00 0.00 C ATOM 837 CG ASP A 58 -5.090 -15.074 -3.188 1.00 0.00 C ATOM 838 OD1 ASP A 58 -5.090 -16.320 -3.289 1.00 0.00 O ATOM 839 OD2 ASP A 58 -6.079 -14.359 -2.913 1.00 0.00 O ATOM 0 H ASP A 58 -3.532 -13.560 -1.080 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.613 -15.881 -2.427 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.914 -13.285 -3.303 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.454 -14.520 -4.459 1.00 0.00 H new ATOM 843 N TYR A 59 -0.937 -13.076 -2.678 1.00 0.00 N ATOM 844 CA TYR A 59 0.288 -12.460 -3.160 1.00 0.00 C ATOM 845 C TYR A 59 1.475 -12.828 -2.268 1.00 0.00 C ATOM 846 O TYR A 59 2.614 -12.473 -2.566 1.00 0.00 O ATOM 847 CB TYR A 59 0.058 -10.948 -3.084 1.00 0.00 C ATOM 848 CG TYR A 59 -0.706 -10.374 -4.278 1.00 0.00 C ATOM 849 CD1 TYR A 59 -1.568 -11.178 -4.996 1.00 0.00 C ATOM 850 CD2 TYR A 59 -0.534 -9.053 -4.637 1.00 0.00 C ATOM 851 CE1 TYR A 59 -2.287 -10.638 -6.121 1.00 0.00 C ATOM 852 CE2 TYR A 59 -1.253 -8.512 -5.762 1.00 0.00 C ATOM 853 CZ TYR A 59 -2.094 -9.332 -6.448 1.00 0.00 C ATOM 854 OH TYR A 59 -2.773 -8.821 -7.510 1.00 0.00 O ATOM 0 H TYR A 59 -1.464 -12.514 -2.010 1.00 0.00 H new ATOM 0 HA TYR A 59 0.516 -12.799 -4.171 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.491 -10.720 -2.171 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.023 -10.447 -3.009 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.703 -12.212 -4.714 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.140 -8.424 -4.074 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.964 -11.256 -6.692 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.127 -7.480 -6.054 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.854 -7.850 -7.410 1.00 0.00 H new ATOM 863 N ASN A 60 1.167 -13.536 -1.191 1.00 0.00 N ATOM 864 CA ASN A 60 2.194 -13.957 -0.254 1.00 0.00 C ATOM 865 C ASN A 60 2.676 -12.745 0.546 1.00 0.00 C ATOM 866 O ASN A 60 3.754 -12.777 1.138 1.00 0.00 O ATOM 867 CB ASN A 60 3.399 -14.550 -0.986 1.00 0.00 C ATOM 868 CG ASN A 60 3.705 -15.964 -0.485 1.00 0.00 C ATOM 869 OD1 ASN A 60 4.579 -16.183 0.336 1.00 0.00 O ATOM 870 ND2 ASN A 60 2.937 -16.906 -1.025 1.00 0.00 N ATOM 0 H ASN A 60 0.221 -13.828 -0.947 1.00 0.00 H new ATOM 0 HA ASN A 60 1.762 -14.714 0.401 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.202 -14.575 -2.058 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.270 -13.911 -0.837 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.062 -17.882 -0.756 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.223 -16.652 -1.708 1.00 0.00 H new ATOM 876 N ILE A 61 1.855 -11.706 0.538 1.00 0.00 N ATOM 877 CA ILE A 61 2.184 -10.485 1.254 1.00 0.00 C ATOM 878 C ILE A 61 1.864 -10.669 2.739 1.00 0.00 C ATOM 879 O ILE A 61 0.741 -10.414 3.171 1.00 0.00 O ATOM 880 CB ILE A 61 1.483 -9.284 0.617 1.00 0.00 C ATOM 881 CG1 ILE A 61 2.123 -8.924 -0.725 1.00 0.00 C ATOM 882 CG2 ILE A 61 1.456 -8.093 1.577 1.00 0.00 C ATOM 883 CD1 ILE A 61 1.106 -8.263 -1.658 1.00 0.00 C ATOM 0 H ILE A 61 0.961 -11.684 0.047 1.00 0.00 H new ATOM 0 HA ILE A 61 3.251 -10.276 1.181 1.00 0.00 H new ATOM 0 HB ILE A 61 0.448 -9.559 0.416 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.964 -8.250 -0.562 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.522 -9.823 -1.195 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.952 -7.252 1.100 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.920 -8.370 2.485 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.477 -7.807 1.831 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.587 -8.017 -2.605 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.278 -8.949 -1.839 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.727 -7.351 -1.196 1.00 0.00 H new ATOM 894 N GLN A 62 2.870 -11.110 3.479 1.00 0.00 N ATOM 895 CA GLN A 62 2.710 -11.330 4.906 1.00 0.00 C ATOM 896 C GLN A 62 2.796 -10.002 5.661 1.00 0.00 C ATOM 897 O GLN A 62 2.753 -8.934 5.053 1.00 0.00 O ATOM 898 CB GLN A 62 3.747 -12.325 5.428 1.00 0.00 C ATOM 899 CG GLN A 62 3.073 -13.584 5.975 1.00 0.00 C ATOM 900 CD GLN A 62 3.289 -13.710 7.485 1.00 0.00 C ATOM 901 OE1 GLN A 62 2.426 -13.401 8.290 1.00 0.00 O ATOM 902 NE2 GLN A 62 4.487 -14.180 7.822 1.00 0.00 N ATOM 0 H GLN A 62 3.800 -11.321 3.117 1.00 0.00 H new ATOM 0 HA GLN A 62 1.724 -11.761 5.078 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.433 -12.595 4.625 1.00 0.00 H new ATOM 0 HB3 GLN A 62 4.342 -11.857 6.212 1.00 0.00 H new ATOM 0 HG2 GLN A 62 2.005 -13.553 5.758 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.475 -14.464 5.472 1.00 0.00 H new ATOM 0 HE21 GLN A 62 5.163 -14.420 7.097 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.729 -14.301 8.805 1.00 0.00 H new ATOM 909 N LYS A 63 2.914 -10.113 6.976 1.00 0.00 N ATOM 910 CA LYS A 63 3.007 -8.934 7.821 1.00 0.00 C ATOM 911 C LYS A 63 4.395 -8.309 7.668 1.00 0.00 C ATOM 912 O LYS A 63 5.212 -8.788 6.882 1.00 0.00 O ATOM 913 CB LYS A 63 2.645 -9.281 9.266 1.00 0.00 C ATOM 914 CG LYS A 63 1.289 -9.986 9.338 1.00 0.00 C ATOM 915 CD LYS A 63 0.938 -10.354 10.781 1.00 0.00 C ATOM 916 CE LYS A 63 0.672 -11.855 10.915 1.00 0.00 C ATOM 917 NZ LYS A 63 1.910 -12.569 11.298 1.00 0.00 N ATOM 0 H LYS A 63 2.947 -11.001 7.477 1.00 0.00 H new ATOM 0 HA LYS A 63 2.283 -8.182 7.507 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.415 -9.923 9.694 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.618 -8.372 9.866 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.516 -9.338 8.926 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.310 -10.887 8.724 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.755 -10.065 11.443 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.058 -9.795 11.099 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.101 -12.028 11.664 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.295 -12.249 9.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.679 -13.330 11.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.352 -12.977 10.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.571 -11.902 11.746 1.00 0.00 H new ATOM 927 N GLU A 64 4.620 -7.250 8.430 1.00 0.00 N ATOM 928 CA GLU A 64 5.896 -6.555 8.390 1.00 0.00 C ATOM 929 C GLU A 64 6.429 -6.509 6.956 1.00 0.00 C ATOM 930 O GLU A 64 7.614 -6.743 6.723 1.00 0.00 O ATOM 931 CB GLU A 64 6.907 -7.211 9.331 1.00 0.00 C ATOM 932 CG GLU A 64 6.263 -7.553 10.675 1.00 0.00 C ATOM 933 CD GLU A 64 6.511 -9.018 11.044 1.00 0.00 C ATOM 934 OE1 GLU A 64 5.845 -9.878 10.428 1.00 0.00 O ATOM 935 OE2 GLU A 64 7.359 -9.245 11.934 1.00 0.00 O ATOM 0 H GLU A 64 3.940 -6.855 9.080 1.00 0.00 H new ATOM 0 HA GLU A 64 5.742 -5.532 8.733 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.302 -8.117 8.872 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.751 -6.540 9.489 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.668 -6.905 11.452 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.191 -7.362 10.628 1.00 0.00 H new ATOM 940 N SER A 65 5.528 -6.207 6.033 1.00 0.00 N ATOM 941 CA SER A 65 5.894 -6.128 4.629 1.00 0.00 C ATOM 942 C SER A 65 6.268 -4.689 4.266 1.00 0.00 C ATOM 943 O SER A 65 5.985 -3.760 5.021 1.00 0.00 O ATOM 944 CB SER A 65 4.755 -6.621 3.734 1.00 0.00 C ATOM 945 OG SER A 65 4.950 -7.970 3.317 1.00 0.00 O ATOM 0 H SER A 65 4.546 -6.014 6.230 1.00 0.00 H new ATOM 0 HA SER A 65 6.756 -6.774 4.464 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.810 -6.541 4.272 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.678 -5.978 2.857 1.00 0.00 H new ATOM 0 HG SER A 65 5.203 -7.986 2.370 1.00 0.00 H new ATOM 950 N THR A 66 6.898 -4.549 3.109 1.00 0.00 N ATOM 951 CA THR A 66 7.313 -3.239 2.636 1.00 0.00 C ATOM 952 C THR A 66 6.992 -3.082 1.149 1.00 0.00 C ATOM 953 O THR A 66 7.629 -3.707 0.302 1.00 0.00 O ATOM 954 CB THR A 66 8.799 -3.071 2.957 1.00 0.00 C ATOM 955 OG1 THR A 66 8.898 -3.415 4.337 1.00 0.00 O ATOM 956 CG2 THR A 66 9.247 -1.609 2.906 1.00 0.00 C ATOM 0 H THR A 66 7.131 -5.321 2.485 1.00 0.00 H new ATOM 0 HA THR A 66 6.764 -2.444 3.140 1.00 0.00 H new ATOM 0 HB THR A 66 9.390 -3.658 2.254 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.830 -3.335 4.628 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.309 -1.546 3.141 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.072 -1.210 1.907 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.679 -1.029 3.633 1.00 0.00 H new ATOM 964 N LEU A 67 6.003 -2.244 0.875 1.00 0.00 N ATOM 965 CA LEU A 67 5.589 -1.997 -0.496 1.00 0.00 C ATOM 966 C LEU A 67 6.330 -0.772 -1.035 1.00 0.00 C ATOM 967 O LEU A 67 6.638 0.152 -0.283 1.00 0.00 O ATOM 968 CB LEU A 67 4.066 -1.882 -0.583 1.00 0.00 C ATOM 969 CG LEU A 67 3.272 -3.096 -0.095 1.00 0.00 C ATOM 970 CD1 LEU A 67 3.973 -4.400 -0.480 1.00 0.00 C ATOM 971 CD2 LEU A 67 3.010 -3.010 1.410 1.00 0.00 C ATOM 0 H LEU A 67 5.476 -1.727 1.579 1.00 0.00 H new ATOM 0 HA LEU A 67 5.859 -2.839 -1.133 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.754 -1.012 -0.005 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.795 -1.689 -1.621 1.00 0.00 H new ATOM 0 HG LEU A 67 2.302 -3.092 -0.592 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.388 -5.247 -0.121 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.066 -4.456 -1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.965 -4.427 -0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.444 -3.884 1.731 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.960 -2.976 1.943 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.439 -2.108 1.629 1.00 0.00 H new ATOM 982 N HIS A 68 6.594 -0.803 -2.333 1.00 0.00 N ATOM 983 CA HIS A 68 7.293 0.294 -2.980 1.00 0.00 C ATOM 984 C HIS A 68 6.309 1.096 -3.835 1.00 0.00 C ATOM 985 O HIS A 68 5.755 0.577 -4.803 1.00 0.00 O ATOM 986 CB HIS A 68 8.490 -0.223 -3.782 1.00 0.00 C ATOM 987 CG HIS A 68 9.638 -0.706 -2.928 1.00 0.00 C ATOM 988 ND1 HIS A 68 10.783 0.043 -2.719 1.00 0.00 N ATOM 989 CD2 HIS A 68 9.805 -1.868 -2.234 1.00 0.00 C ATOM 990 CE1 HIS A 68 11.596 -0.647 -1.933 1.00 0.00 C ATOM 991 NE2 HIS A 68 10.989 -1.831 -1.634 1.00 0.00 N ATOM 0 H HIS A 68 6.336 -1.570 -2.954 1.00 0.00 H new ATOM 0 HA HIS A 68 7.698 0.968 -2.225 1.00 0.00 H new ATOM 0 HB2 HIS A 68 8.159 -1.040 -4.424 1.00 0.00 H new ATOM 0 HB3 HIS A 68 8.847 0.572 -4.437 1.00 0.00 H new ATOM 0 HD2 HIS A 68 9.095 -2.680 -2.181 1.00 0.00 H new ATOM 0 HE1 HIS A 68 12.569 -0.328 -1.589 1.00 0.00 H new ATOM 0 HE2 HIS A 68 11.380 -2.567 -1.046 1.00 0.00 H new ATOM 998 N LEU A 69 6.122 2.348 -3.446 1.00 0.00 N ATOM 999 CA LEU A 69 5.215 3.227 -4.163 1.00 0.00 C ATOM 1000 C LEU A 69 5.962 3.887 -5.324 1.00 0.00 C ATOM 1001 O LEU A 69 7.166 4.123 -5.237 1.00 0.00 O ATOM 1002 CB LEU A 69 4.564 4.226 -3.203 1.00 0.00 C ATOM 1003 CG LEU A 69 4.006 5.501 -3.838 1.00 0.00 C ATOM 1004 CD1 LEU A 69 2.960 5.169 -4.904 1.00 0.00 C ATOM 1005 CD2 LEU A 69 3.457 6.450 -2.772 1.00 0.00 C ATOM 0 H LEU A 69 6.584 2.775 -2.643 1.00 0.00 H new ATOM 0 HA LEU A 69 4.394 2.655 -4.595 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.753 3.720 -2.679 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.301 4.510 -2.452 1.00 0.00 H new ATOM 0 HG LEU A 69 4.824 6.019 -4.339 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.579 6.093 -5.340 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.417 4.561 -5.685 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.138 4.617 -4.448 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.067 7.348 -3.251 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.657 5.955 -2.222 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.256 6.724 -2.083 1.00 0.00 H new ATOM 1016 N VAL A 70 5.217 4.167 -6.383 1.00 0.00 N ATOM 1017 CA VAL A 70 5.794 4.795 -7.559 1.00 0.00 C ATOM 1018 C VAL A 70 5.571 6.307 -7.486 1.00 0.00 C ATOM 1019 O VAL A 70 5.064 6.815 -6.488 1.00 0.00 O ATOM 1020 CB VAL A 70 5.213 4.165 -8.827 1.00 0.00 C ATOM 1021 CG1 VAL A 70 5.921 2.850 -9.160 1.00 0.00 C ATOM 1022 CG2 VAL A 70 3.703 3.957 -8.694 1.00 0.00 C ATOM 0 H VAL A 70 4.218 3.970 -6.451 1.00 0.00 H new ATOM 0 HA VAL A 70 6.870 4.627 -7.593 1.00 0.00 H new ATOM 0 HB VAL A 70 5.384 4.856 -9.653 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.489 2.423 -10.065 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.983 3.038 -9.319 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.796 2.150 -8.334 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.316 3.508 -9.609 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.500 3.296 -7.851 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.217 4.918 -8.527 1.00 0.00 H new ATOM 1032 N LEU A 71 5.962 6.983 -8.557 1.00 0.00 N ATOM 1033 CA LEU A 71 5.811 8.426 -8.627 1.00 0.00 C ATOM 1034 C LEU A 71 4.388 8.806 -8.212 1.00 0.00 C ATOM 1035 O LEU A 71 3.423 8.181 -8.648 1.00 0.00 O ATOM 1036 CB LEU A 71 6.204 8.939 -10.013 1.00 0.00 C ATOM 1037 CG LEU A 71 7.693 9.231 -10.222 1.00 0.00 C ATOM 1038 CD1 LEU A 71 8.558 8.131 -9.606 1.00 0.00 C ATOM 1039 CD2 LEU A 71 8.006 9.445 -11.704 1.00 0.00 C ATOM 0 H LEU A 71 6.383 6.558 -9.383 1.00 0.00 H new ATOM 0 HA LEU A 71 6.489 8.914 -7.927 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.891 8.203 -10.754 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.643 9.852 -10.214 1.00 0.00 H new ATOM 0 HG LEU A 71 7.936 10.159 -9.705 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.611 8.362 -9.768 1.00 0.00 H new ATOM 0 HD12 LEU A 71 8.361 8.069 -8.536 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.320 7.176 -10.074 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.070 9.651 -11.825 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.744 8.548 -12.265 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.428 10.289 -12.080 1.00 0.00 H new ATOM 1050 N ARG A 72 4.304 9.830 -7.374 1.00 0.00 N ATOM 1051 CA ARG A 72 3.015 10.300 -6.895 1.00 0.00 C ATOM 1052 C ARG A 72 2.249 10.992 -8.025 1.00 0.00 C ATOM 1053 O ARG A 72 2.708 11.016 -9.166 1.00 0.00 O ATOM 1054 CB ARG A 72 3.183 11.278 -5.730 1.00 0.00 C ATOM 1055 CG ARG A 72 3.823 12.586 -6.199 1.00 0.00 C ATOM 1056 CD ARG A 72 4.654 13.222 -5.084 1.00 0.00 C ATOM 1057 NE ARG A 72 5.517 14.288 -5.640 1.00 0.00 N ATOM 1058 CZ ARG A 72 6.617 14.756 -5.035 1.00 0.00 C ATOM 1059 NH1 ARG A 72 6.997 14.254 -3.853 1.00 0.00 N ATOM 1060 NH2 ARG A 72 7.339 15.726 -5.615 1.00 0.00 N ATOM 0 H ARG A 72 5.107 10.347 -7.015 1.00 0.00 H new ATOM 0 HA ARG A 72 2.454 9.432 -6.548 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.211 11.485 -5.281 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.801 10.824 -4.956 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.456 12.395 -7.065 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.046 13.280 -6.519 1.00 0.00 H new ATOM 0 HD2 ARG A 72 3.996 13.637 -4.320 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.267 12.463 -4.598 1.00 0.00 H new ATOM 0 HE ARG A 72 5.258 14.692 -6.540 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.449 13.515 -3.413 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.835 14.611 -3.393 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.051 16.107 -6.516 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.177 16.083 -5.155 1.00 0.00 H new ATOM 1071 N LEU A 73 1.097 11.540 -7.668 1.00 0.00 N ATOM 1072 CA LEU A 73 0.264 12.230 -8.637 1.00 0.00 C ATOM 1073 C LEU A 73 -0.533 13.328 -7.929 1.00 0.00 C ATOM 1074 O LEU A 73 -0.338 13.571 -6.738 1.00 0.00 O ATOM 1075 CB LEU A 73 -0.609 11.233 -9.401 1.00 0.00 C ATOM 1076 CG LEU A 73 0.103 10.402 -10.472 1.00 0.00 C ATOM 1077 CD1 LEU A 73 0.364 8.979 -9.977 1.00 0.00 C ATOM 1078 CD2 LEU A 73 -0.680 10.417 -11.787 1.00 0.00 C ATOM 0 H LEU A 73 0.721 11.520 -6.720 1.00 0.00 H new ATOM 0 HA LEU A 73 0.882 12.719 -9.390 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -1.062 10.551 -8.682 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.422 11.782 -9.876 1.00 0.00 H new ATOM 0 HG LEU A 73 1.073 10.857 -10.669 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.871 8.410 -10.756 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.992 9.013 -9.086 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.584 8.498 -9.735 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.153 9.820 -12.531 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.674 9.999 -11.624 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.772 11.443 -12.144 1.00 0.00 H new ATOM 1089 N ARG A 74 -1.414 13.960 -8.689 1.00 0.00 N ATOM 1090 CA ARG A 74 -2.241 15.025 -8.149 1.00 0.00 C ATOM 1091 C ARG A 74 -2.962 14.549 -6.887 1.00 0.00 C ATOM 1092 O ARG A 74 -3.569 13.480 -6.880 1.00 0.00 O ATOM 1093 CB ARG A 74 -3.277 15.492 -9.175 1.00 0.00 C ATOM 1094 CG ARG A 74 -2.749 16.679 -9.985 1.00 0.00 C ATOM 1095 CD ARG A 74 -1.912 16.202 -11.173 1.00 0.00 C ATOM 1096 NE ARG A 74 -2.796 15.685 -12.241 1.00 0.00 N ATOM 1097 CZ ARG A 74 -3.578 16.457 -13.007 1.00 0.00 C ATOM 1098 NH1 ARG A 74 -3.591 17.785 -12.829 1.00 0.00 N ATOM 1099 NH2 ARG A 74 -4.349 15.901 -13.953 1.00 0.00 N ATOM 0 H ARG A 74 -1.573 13.755 -9.675 1.00 0.00 H new ATOM 0 HA ARG A 74 -1.586 15.861 -7.904 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.525 14.670 -9.847 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.197 15.776 -8.665 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.585 17.281 -10.342 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -2.145 17.321 -9.344 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.308 17.024 -11.556 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.222 15.422 -10.852 1.00 0.00 H new ATOM 0 HE ARG A 74 -2.811 14.678 -12.404 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -3.005 18.209 -12.110 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.187 18.372 -13.413 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -4.340 14.890 -14.089 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -4.944 16.489 -14.536 1.00 0.00 H new ATOM 1110 N GLY A 75 -2.871 15.367 -5.848 1.00 0.00 N ATOM 1111 CA GLY A 75 -3.507 15.043 -4.582 1.00 0.00 C ATOM 1112 C GLY A 75 -2.473 14.937 -3.460 1.00 0.00 C ATOM 1113 O GLY A 75 -1.428 14.312 -3.631 1.00 0.00 O ATOM 0 H GLY A 75 -2.366 16.253 -5.857 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.241 15.809 -4.333 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.048 14.101 -4.673 1.00 0.00 H new ATOM 1117 N GLY A 76 -2.801 15.558 -2.337 1.00 0.00 N ATOM 1118 CA GLY A 76 -1.913 15.542 -1.186 1.00 0.00 C ATOM 1119 C GLY A 76 -1.704 16.954 -0.635 1.00 0.00 C ATOM 1120 O GLY A 76 -0.870 17.165 0.244 1.00 0.00 O ATOM 0 H GLY A 76 -3.669 16.076 -2.199 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.331 14.903 -0.409 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -0.952 15.112 -1.469 1.00 0.00 H new TER 1124 GLY A 76