USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 716 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 Single : A 1 GLY N :NH3+ -114:sc= 0.0587 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.012 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-2) USER MOD Single : A 21 GLN : amide:sc= -0.734 K(o=-0.73,f=-1.7) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=-0.0046) USER MOD Single : A 55 ASN : amide:sc= -3.53 K(o=-3.5,f=-5.8!) USER MOD Single : A 57 GLN : amide:sc= -1.17 K(o=-1.2,f=-5.1!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -170:sc= -0.613 USER MOD Single : A 64 HIS : no HE2:sc= -10.2! C(o=-10!,f=-11!) USER MOD Single : A 72 THR OG1 : rot 90:sc= 1.23 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -1.57 K(o=-1.6,f=-4.1!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 27:sc= 0.226 USER MOD Single : A 83 MET CE :methyl 171:sc= -3.42! (180deg=-3.85!) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.605 USER MOD Single : A 88 TYR OH : rot 150:sc= 0 USER MOD Single : A 92 THR OG1 : rot -56:sc= 1.13 USER MOD Single : A 94 GLN : amide:sc= -0.0528 K(o=-0.053,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.570 20.904 -5.277 1.00 0.00 N ATOM 2 CA GLY A 1 -6.829 20.905 -6.524 1.00 0.00 C ATOM 3 C GLY A 1 -7.736 20.902 -7.738 1.00 0.00 C ATOM 4 O GLY A 1 -8.906 20.530 -7.647 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.407 21.800 -4.775 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.585 20.799 -5.477 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.250 20.112 -4.684 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.184 21.783 -6.559 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.179 20.030 -6.558 1.00 0.00 H new ATOM 8 N SER A 2 -7.197 21.320 -8.879 1.00 0.00 N ATOM 9 CA SER A 2 -7.968 21.370 -10.116 1.00 0.00 C ATOM 10 C SER A 2 -7.462 20.332 -11.113 1.00 0.00 C ATOM 11 O SER A 2 -8.248 19.608 -11.724 1.00 0.00 O ATOM 12 CB SER A 2 -7.891 22.767 -10.734 1.00 0.00 C ATOM 13 OG SER A 2 -6.547 23.140 -10.986 1.00 0.00 O ATOM 0 H SER A 2 -6.229 21.629 -8.972 1.00 0.00 H new ATOM 0 HA SER A 2 -9.007 21.143 -9.877 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.458 22.788 -11.665 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.353 23.491 -10.063 1.00 0.00 H new ATOM 0 HG SER A 2 -6.525 24.036 -11.382 1.00 0.00 H new ATOM 19 N SER A 3 -6.144 20.266 -11.272 1.00 0.00 N ATOM 20 CA SER A 3 -5.532 19.320 -12.198 1.00 0.00 C ATOM 21 C SER A 3 -5.491 17.919 -11.595 1.00 0.00 C ATOM 22 O SER A 3 -4.606 17.598 -10.804 1.00 0.00 O ATOM 23 CB SER A 3 -4.117 19.773 -12.562 1.00 0.00 C ATOM 24 OG SER A 3 -3.590 18.996 -13.623 1.00 0.00 O ATOM 0 H SER A 3 -5.479 20.856 -10.772 1.00 0.00 H new ATOM 0 HA SER A 3 -6.140 19.290 -13.102 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.131 20.824 -12.849 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.469 19.689 -11.689 1.00 0.00 H new ATOM 0 HG SER A 3 -2.686 19.306 -13.838 1.00 0.00 H new ATOM 30 N GLY A 4 -6.458 17.089 -11.976 1.00 0.00 N ATOM 31 CA GLY A 4 -6.515 15.733 -11.464 1.00 0.00 C ATOM 32 C GLY A 4 -6.383 14.693 -12.559 1.00 0.00 C ATOM 33 O GLY A 4 -7.158 14.688 -13.515 1.00 0.00 O ATOM 0 H GLY A 4 -7.202 17.332 -12.630 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.719 15.590 -10.734 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.459 15.586 -10.939 1.00 0.00 H new ATOM 37 N SER A 5 -5.397 13.812 -12.421 1.00 0.00 N ATOM 38 CA SER A 5 -5.163 12.766 -13.410 1.00 0.00 C ATOM 39 C SER A 5 -5.630 11.411 -12.888 1.00 0.00 C ATOM 40 O SER A 5 -4.839 10.632 -12.356 1.00 0.00 O ATOM 41 CB SER A 5 -3.678 12.702 -13.773 1.00 0.00 C ATOM 42 OG SER A 5 -3.394 11.556 -14.557 1.00 0.00 O ATOM 0 H SER A 5 -4.748 13.802 -11.634 1.00 0.00 H new ATOM 0 HA SER A 5 -5.738 13.009 -14.304 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.395 13.601 -14.321 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.078 12.682 -12.863 1.00 0.00 H new ATOM 0 HG SER A 5 -2.439 11.539 -14.777 1.00 0.00 H new ATOM 48 N SER A 6 -6.921 11.136 -13.046 1.00 0.00 N ATOM 49 CA SER A 6 -7.495 9.876 -12.587 1.00 0.00 C ATOM 50 C SER A 6 -6.743 8.688 -13.180 1.00 0.00 C ATOM 51 O SER A 6 -6.726 8.494 -14.395 1.00 0.00 O ATOM 52 CB SER A 6 -8.975 9.798 -12.967 1.00 0.00 C ATOM 53 OG SER A 6 -9.773 10.548 -12.068 1.00 0.00 O ATOM 0 H SER A 6 -7.589 11.768 -13.488 1.00 0.00 H new ATOM 0 HA SER A 6 -7.403 9.837 -11.502 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.113 10.173 -13.981 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.300 8.757 -12.965 1.00 0.00 H new ATOM 0 HG SER A 6 -10.714 10.483 -12.334 1.00 0.00 H new ATOM 59 N GLY A 7 -6.121 7.897 -12.312 1.00 0.00 N ATOM 60 CA GLY A 7 -5.375 6.738 -12.767 1.00 0.00 C ATOM 61 C GLY A 7 -4.936 5.845 -11.623 1.00 0.00 C ATOM 62 O GLY A 7 -5.506 4.776 -11.406 1.00 0.00 O ATOM 0 H GLY A 7 -6.120 8.038 -11.302 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.991 6.162 -13.458 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.498 7.070 -13.322 1.00 0.00 H new ATOM 66 N VAL A 8 -3.918 6.284 -10.890 1.00 0.00 N ATOM 67 CA VAL A 8 -3.401 5.517 -9.762 1.00 0.00 C ATOM 68 C VAL A 8 -4.059 5.949 -8.457 1.00 0.00 C ATOM 69 O VAL A 8 -4.156 7.141 -8.162 1.00 0.00 O ATOM 70 CB VAL A 8 -1.874 5.671 -9.631 1.00 0.00 C ATOM 71 CG1 VAL A 8 -1.357 4.872 -8.445 1.00 0.00 C ATOM 72 CG2 VAL A 8 -1.183 5.241 -10.916 1.00 0.00 C ATOM 0 H VAL A 8 -3.435 7.167 -11.057 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.637 4.471 -9.955 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.646 6.723 -9.457 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.276 4.993 -8.368 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.828 5.232 -7.530 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.595 3.818 -8.585 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.105 5.356 -10.806 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.417 4.197 -11.123 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.532 5.861 -11.742 1.00 0.00 H new ATOM 82 N THR A 9 -4.510 4.972 -7.676 1.00 0.00 N ATOM 83 CA THR A 9 -5.159 5.251 -6.401 1.00 0.00 C ATOM 84 C THR A 9 -4.132 5.429 -5.288 1.00 0.00 C ATOM 85 O THR A 9 -3.245 4.593 -5.108 1.00 0.00 O ATOM 86 CB THR A 9 -6.134 4.125 -6.009 1.00 0.00 C ATOM 87 OG1 THR A 9 -7.027 3.851 -7.094 1.00 0.00 O ATOM 88 CG2 THR A 9 -6.933 4.507 -4.772 1.00 0.00 C ATOM 0 H THR A 9 -4.438 3.981 -7.904 1.00 0.00 H new ATOM 0 HA THR A 9 -5.718 6.178 -6.527 1.00 0.00 H new ATOM 0 HB THR A 9 -5.551 3.232 -5.784 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.643 3.133 -6.838 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.615 3.696 -4.514 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.252 4.687 -3.940 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.506 5.412 -4.974 1.00 0.00 H new ATOM 96 N THR A 10 -4.258 6.522 -4.542 1.00 0.00 N ATOM 97 CA THR A 10 -3.340 6.809 -3.447 1.00 0.00 C ATOM 98 C THR A 10 -4.083 6.913 -2.120 1.00 0.00 C ATOM 99 O THR A 10 -5.032 7.686 -1.988 1.00 0.00 O ATOM 100 CB THR A 10 -2.565 8.118 -3.692 1.00 0.00 C ATOM 101 OG1 THR A 10 -1.997 8.112 -5.006 1.00 0.00 O ATOM 102 CG2 THR A 10 -1.463 8.296 -2.658 1.00 0.00 C ATOM 0 H THR A 10 -4.987 7.223 -4.676 1.00 0.00 H new ATOM 0 HA THR A 10 -2.634 5.980 -3.401 1.00 0.00 H new ATOM 0 HB THR A 10 -3.263 8.950 -3.602 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.508 8.948 -5.155 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.930 9.227 -2.851 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.902 8.329 -1.661 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.767 7.459 -2.720 1.00 0.00 H new ATOM 110 N ALA A 11 -3.646 6.131 -1.139 1.00 0.00 N ATOM 111 CA ALA A 11 -4.268 6.137 0.179 1.00 0.00 C ATOM 112 C ALA A 11 -3.282 6.589 1.250 1.00 0.00 C ATOM 113 O ALA A 11 -2.068 6.471 1.078 1.00 0.00 O ATOM 114 CB ALA A 11 -4.815 4.757 0.511 1.00 0.00 C ATOM 0 H ALA A 11 -2.863 5.484 -1.232 1.00 0.00 H new ATOM 0 HA ALA A 11 -5.094 6.848 0.160 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.277 4.776 1.498 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.560 4.472 -0.232 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.001 4.032 0.505 1.00 0.00 H new ATOM 120 N ILE A 12 -3.810 7.108 2.353 1.00 0.00 N ATOM 121 CA ILE A 12 -2.975 7.577 3.452 1.00 0.00 C ATOM 122 C ILE A 12 -3.356 6.896 4.762 1.00 0.00 C ATOM 123 O ILE A 12 -4.472 7.060 5.256 1.00 0.00 O ATOM 124 CB ILE A 12 -3.083 9.103 3.629 1.00 0.00 C ATOM 125 CG1 ILE A 12 -2.658 9.819 2.345 1.00 0.00 C ATOM 126 CG2 ILE A 12 -2.232 9.561 4.804 1.00 0.00 C ATOM 127 CD1 ILE A 12 -1.243 9.499 1.915 1.00 0.00 C ATOM 0 H ILE A 12 -4.812 7.214 2.510 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.946 7.321 3.198 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.122 9.357 3.837 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.343 9.546 1.543 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.750 10.895 2.491 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.319 10.642 4.917 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.577 9.072 5.715 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.190 9.297 4.623 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.010 10.041 0.998 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.548 9.797 2.700 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.150 8.428 1.737 1.00 0.00 H new ATOM 139 N ILE A 13 -2.422 6.134 5.320 1.00 0.00 N ATOM 140 CA ILE A 13 -2.660 5.431 6.575 1.00 0.00 C ATOM 141 C ILE A 13 -2.162 6.246 7.764 1.00 0.00 C ATOM 142 O ILE A 13 -1.079 6.829 7.721 1.00 0.00 O ATOM 143 CB ILE A 13 -1.972 4.053 6.587 1.00 0.00 C ATOM 144 CG1 ILE A 13 -2.394 3.237 5.363 1.00 0.00 C ATOM 145 CG2 ILE A 13 -2.305 3.306 7.870 1.00 0.00 C ATOM 146 CD1 ILE A 13 -3.844 2.809 5.394 1.00 0.00 C ATOM 0 H ILE A 13 -1.494 5.987 4.923 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.738 5.291 6.659 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.893 4.201 6.546 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.217 3.827 4.464 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.763 2.351 5.292 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -1.812 2.334 7.864 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.959 3.883 8.727 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.384 3.165 7.939 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.073 2.235 4.496 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.022 2.192 6.275 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.483 3.691 5.434 1.00 0.00 H new ATOM 158 N HIS A 14 -2.961 6.280 8.826 1.00 0.00 N ATOM 159 CA HIS A 14 -2.601 7.021 10.030 1.00 0.00 C ATOM 160 C HIS A 14 -2.094 6.078 11.117 1.00 0.00 C ATOM 161 O HIS A 14 -2.881 5.434 11.810 1.00 0.00 O ATOM 162 CB HIS A 14 -3.803 7.813 10.545 1.00 0.00 C ATOM 163 CG HIS A 14 -4.125 9.019 9.717 1.00 0.00 C ATOM 164 ND1 HIS A 14 -3.463 10.221 9.848 1.00 0.00 N ATOM 165 CD2 HIS A 14 -5.045 9.202 8.741 1.00 0.00 C ATOM 166 CE1 HIS A 14 -3.962 11.092 8.990 1.00 0.00 C ATOM 167 NE2 HIS A 14 -4.923 10.499 8.306 1.00 0.00 N ATOM 0 H HIS A 14 -3.861 5.803 8.877 1.00 0.00 H new ATOM 0 HA HIS A 14 -1.801 7.715 9.774 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.674 7.158 10.573 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.608 8.128 11.570 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -5.744 8.466 8.373 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -3.639 12.115 8.868 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -5.484 10.934 7.573 1.00 0.00 H new ATOM 175 N ARG A 15 -0.775 6.003 11.260 1.00 0.00 N ATOM 176 CA ARG A 15 -0.163 5.138 12.262 1.00 0.00 C ATOM 177 C ARG A 15 0.416 5.960 13.410 1.00 0.00 C ATOM 178 O ARG A 15 1.610 6.258 13.451 1.00 0.00 O ATOM 179 CB ARG A 15 0.936 4.284 11.626 1.00 0.00 C ATOM 180 CG ARG A 15 0.418 3.291 10.598 1.00 0.00 C ATOM 181 CD ARG A 15 1.489 2.287 10.205 1.00 0.00 C ATOM 182 NE ARG A 15 1.563 1.170 11.143 1.00 0.00 N ATOM 183 CZ ARG A 15 2.630 0.389 11.274 1.00 0.00 C ATOM 184 NH1 ARG A 15 3.707 0.604 10.532 1.00 0.00 N ATOM 185 NH2 ARG A 15 2.620 -0.607 12.150 1.00 0.00 N ATOM 0 H ARG A 15 -0.110 6.531 10.695 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.937 4.483 12.662 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.664 4.940 11.150 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.462 3.740 12.411 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.446 2.764 11.003 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.078 3.827 9.712 1.00 0.00 H new ATOM 0 HD2 ARG A 15 1.280 1.907 9.205 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.456 2.788 10.160 1.00 0.00 H new ATOM 0 HE ARG A 15 0.751 0.979 11.730 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.718 1.370 9.859 1.00 0.00 H new ATOM 0 HH12 ARG A 15 4.525 0.003 10.634 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.793 -0.774 12.723 1.00 0.00 H new ATOM 0 HH22 ARG A 15 3.439 -1.206 12.250 1.00 0.00 H new ATOM 199 N PRO A 16 -0.448 6.335 14.364 1.00 0.00 N ATOM 200 CA PRO A 16 -0.045 7.127 15.530 1.00 0.00 C ATOM 201 C PRO A 16 0.829 6.334 16.496 1.00 0.00 C ATOM 202 O PRO A 16 1.614 6.907 17.252 1.00 0.00 O ATOM 203 CB PRO A 16 -1.378 7.490 16.190 1.00 0.00 C ATOM 204 CG PRO A 16 -2.317 6.416 15.762 1.00 0.00 C ATOM 205 CD PRO A 16 -1.885 6.014 14.379 1.00 0.00 C ATOM 0 HA PRO A 16 0.556 7.991 15.247 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.286 7.526 17.275 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.725 8.471 15.867 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.277 5.568 16.445 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.346 6.775 15.760 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.062 4.954 14.195 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.428 6.566 13.612 1.00 0.00 H new ATOM 213 N HIS A 17 0.688 5.013 16.465 1.00 0.00 N ATOM 214 CA HIS A 17 1.466 4.141 17.338 1.00 0.00 C ATOM 215 C HIS A 17 2.204 3.079 16.527 1.00 0.00 C ATOM 216 O HIS A 17 1.778 2.714 15.432 1.00 0.00 O ATOM 217 CB HIS A 17 0.556 3.471 18.368 1.00 0.00 C ATOM 218 CG HIS A 17 1.233 3.198 19.676 1.00 0.00 C ATOM 219 ND1 HIS A 17 1.558 1.928 20.105 1.00 0.00 N ATOM 220 CD2 HIS A 17 1.647 4.040 20.652 1.00 0.00 C ATOM 221 CE1 HIS A 17 2.141 2.000 21.288 1.00 0.00 C ATOM 222 NE2 HIS A 17 2.208 3.271 21.642 1.00 0.00 N ATOM 0 H HIS A 17 0.043 4.523 15.845 1.00 0.00 H new ATOM 0 HA HIS A 17 2.202 4.753 17.859 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -0.312 4.107 18.543 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.185 2.532 17.957 1.00 0.00 H new ATOM 0 HD2 HIS A 17 1.554 5.116 20.652 1.00 0.00 H new ATOM 0 HE1 HIS A 17 2.501 1.163 21.867 1.00 0.00 H new ATOM 0 HE2 HIS A 17 2.611 3.624 22.510 1.00 0.00 H new ATOM 230 N ALA A 18 3.312 2.588 17.073 1.00 0.00 N ATOM 231 CA ALA A 18 4.107 1.568 16.402 1.00 0.00 C ATOM 232 C ALA A 18 3.678 0.169 16.828 1.00 0.00 C ATOM 233 O ALA A 18 3.745 -0.777 16.042 1.00 0.00 O ATOM 234 CB ALA A 18 5.587 1.779 16.689 1.00 0.00 C ATOM 0 H ALA A 18 3.679 2.881 17.979 1.00 0.00 H new ATOM 0 HA ALA A 18 3.939 1.660 15.329 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.169 1.010 16.182 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.891 2.762 16.328 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.762 1.717 17.763 1.00 0.00 H new ATOM 240 N ARG A 19 3.238 0.044 18.075 1.00 0.00 N ATOM 241 CA ARG A 19 2.799 -1.242 18.606 1.00 0.00 C ATOM 242 C ARG A 19 1.345 -1.516 18.233 1.00 0.00 C ATOM 243 O ARG A 19 0.629 -2.206 18.958 1.00 0.00 O ATOM 244 CB ARG A 19 2.962 -1.272 20.127 1.00 0.00 C ATOM 245 CG ARG A 19 4.332 -1.745 20.583 1.00 0.00 C ATOM 246 CD ARG A 19 4.321 -2.152 22.048 1.00 0.00 C ATOM 247 NE ARG A 19 5.547 -2.846 22.433 1.00 0.00 N ATOM 248 CZ ARG A 19 6.704 -2.229 22.649 1.00 0.00 C ATOM 249 NH1 ARG A 19 6.791 -0.912 22.519 1.00 0.00 N ATOM 250 NH2 ARG A 19 7.776 -2.929 22.996 1.00 0.00 N ATOM 0 H ARG A 19 3.176 0.817 18.737 1.00 0.00 H new ATOM 0 HA ARG A 19 3.422 -2.021 18.166 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.782 -0.273 20.523 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.201 -1.926 20.553 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.648 -2.590 19.972 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.062 -0.950 20.430 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.196 -1.265 22.670 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.464 -2.798 22.238 1.00 0.00 H new ATOM 0 HE ARG A 19 5.513 -3.860 22.542 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.969 -0.370 22.253 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.680 -0.441 22.685 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.713 -3.942 23.097 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.663 -2.454 23.161 1.00 0.00 H new ATOM 264 N GLU A 20 0.917 -0.970 17.099 1.00 0.00 N ATOM 265 CA GLU A 20 -0.452 -1.156 16.632 1.00 0.00 C ATOM 266 C GLU A 20 -0.474 -1.867 15.282 1.00 0.00 C ATOM 267 O GLU A 20 0.361 -1.606 14.418 1.00 0.00 O ATOM 268 CB GLU A 20 -1.163 0.194 16.521 1.00 0.00 C ATOM 269 CG GLU A 20 -1.482 0.826 17.865 1.00 0.00 C ATOM 270 CD GLU A 20 -2.690 0.199 18.533 1.00 0.00 C ATOM 271 OE1 GLU A 20 -2.526 -0.850 19.192 1.00 0.00 O ATOM 272 OE2 GLU A 20 -3.800 0.756 18.398 1.00 0.00 O ATOM 0 H GLU A 20 1.498 -0.396 16.487 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.976 -1.777 17.359 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.538 0.878 15.946 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.089 0.062 15.962 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.618 0.730 18.522 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.660 1.892 17.727 1.00 0.00 H new ATOM 279 N GLN A 21 -1.437 -2.768 15.111 1.00 0.00 N ATOM 280 CA GLN A 21 -1.567 -3.518 13.867 1.00 0.00 C ATOM 281 C GLN A 21 -1.816 -2.581 12.690 1.00 0.00 C ATOM 282 O GLN A 21 -1.868 -1.362 12.853 1.00 0.00 O ATOM 283 CB GLN A 21 -2.707 -4.533 13.977 1.00 0.00 C ATOM 284 CG GLN A 21 -4.079 -3.894 14.118 1.00 0.00 C ATOM 285 CD GLN A 21 -4.467 -3.659 15.564 1.00 0.00 C ATOM 286 OE1 GLN A 21 -4.155 -4.464 16.442 1.00 0.00 O ATOM 287 NE2 GLN A 21 -5.152 -2.550 15.821 1.00 0.00 N ATOM 0 H GLN A 21 -2.137 -2.996 15.817 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.632 -4.050 13.692 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.701 -5.170 13.093 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.526 -5.179 14.836 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -4.090 -2.944 13.584 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -4.824 -4.534 13.645 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -5.390 -1.910 15.063 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -5.440 -2.338 16.776 1.00 0.00 H new ATOM 296 N LEU A 22 -1.969 -3.159 11.503 1.00 0.00 N ATOM 297 CA LEU A 22 -2.213 -2.375 10.297 1.00 0.00 C ATOM 298 C LEU A 22 -3.640 -2.575 9.797 1.00 0.00 C ATOM 299 O LEU A 22 -4.288 -1.632 9.346 1.00 0.00 O ATOM 300 CB LEU A 22 -1.217 -2.764 9.203 1.00 0.00 C ATOM 301 CG LEU A 22 0.095 -1.979 9.179 1.00 0.00 C ATOM 302 CD1 LEU A 22 0.930 -2.372 7.970 1.00 0.00 C ATOM 303 CD2 LEU A 22 -0.179 -0.483 9.176 1.00 0.00 C ATOM 0 H LEU A 22 -1.928 -4.167 11.350 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.079 -1.322 10.544 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.982 -3.823 9.314 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.706 -2.645 8.236 1.00 0.00 H new ATOM 0 HG LEU A 22 0.659 -2.223 10.079 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.860 -1.803 7.970 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.156 -3.437 8.015 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.373 -2.157 7.058 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.766 0.060 9.159 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.764 -0.222 8.294 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.736 -0.213 10.073 1.00 0.00 H new ATOM 315 N GLY A 23 -4.124 -3.810 9.882 1.00 0.00 N ATOM 316 CA GLY A 23 -5.472 -4.111 9.436 1.00 0.00 C ATOM 317 C GLY A 23 -5.499 -4.750 8.061 1.00 0.00 C ATOM 318 O GLY A 23 -6.193 -5.743 7.844 1.00 0.00 O ATOM 0 H GLY A 23 -3.607 -4.608 10.252 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.948 -4.780 10.153 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.059 -3.193 9.418 1.00 0.00 H new ATOM 322 N PHE A 24 -4.743 -4.178 7.130 1.00 0.00 N ATOM 323 CA PHE A 24 -4.685 -4.696 5.768 1.00 0.00 C ATOM 324 C PHE A 24 -3.594 -5.754 5.634 1.00 0.00 C ATOM 325 O PHE A 24 -2.462 -5.553 6.076 1.00 0.00 O ATOM 326 CB PHE A 24 -4.432 -3.558 4.777 1.00 0.00 C ATOM 327 CG PHE A 24 -3.129 -2.845 5.003 1.00 0.00 C ATOM 328 CD1 PHE A 24 -3.057 -1.761 5.862 1.00 0.00 C ATOM 329 CD2 PHE A 24 -1.976 -3.261 4.356 1.00 0.00 C ATOM 330 CE1 PHE A 24 -1.860 -1.103 6.070 1.00 0.00 C ATOM 331 CE2 PHE A 24 -0.776 -2.607 4.561 1.00 0.00 C ATOM 332 CZ PHE A 24 -0.718 -1.527 5.420 1.00 0.00 C ATOM 0 H PHE A 24 -4.162 -3.356 7.294 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.645 -5.159 5.541 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.446 -3.959 3.764 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.248 -2.838 4.846 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.946 -1.426 6.375 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.016 -4.106 3.684 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -1.818 -0.258 6.741 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.115 -2.940 4.050 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.219 -1.015 5.583 1.00 0.00 H new ATOM 342 N CYS A 25 -3.942 -6.881 5.023 1.00 0.00 N ATOM 343 CA CYS A 25 -2.993 -7.972 4.832 1.00 0.00 C ATOM 344 C CYS A 25 -2.431 -7.961 3.415 1.00 0.00 C ATOM 345 O CYS A 25 -3.177 -8.038 2.439 1.00 0.00 O ATOM 346 CB CYS A 25 -3.666 -9.316 5.117 1.00 0.00 C ATOM 347 SG CYS A 25 -2.511 -10.649 5.516 1.00 0.00 S ATOM 0 H CYS A 25 -4.874 -7.063 4.651 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.169 -7.831 5.531 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -4.363 -9.193 5.946 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.254 -9.608 4.247 1.00 0.00 H new ATOM 0 HG CYS A 25 -3.174 -11.744 5.743 1.00 0.00 H new ATOM 353 N VAL A 26 -1.109 -7.864 3.309 1.00 0.00 N ATOM 354 CA VAL A 26 -0.446 -7.842 2.011 1.00 0.00 C ATOM 355 C VAL A 26 0.199 -9.188 1.701 1.00 0.00 C ATOM 356 O VAL A 26 0.811 -9.809 2.569 1.00 0.00 O ATOM 357 CB VAL A 26 0.631 -6.743 1.949 1.00 0.00 C ATOM 358 CG1 VAL A 26 1.416 -6.837 0.649 1.00 0.00 C ATOM 359 CG2 VAL A 26 -0.002 -5.368 2.101 1.00 0.00 C ATOM 0 H VAL A 26 -0.477 -7.799 4.107 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.214 -7.630 1.267 1.00 0.00 H new ATOM 0 HB VAL A 26 1.325 -6.892 2.776 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.172 -6.053 0.623 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.901 -7.811 0.587 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.738 -6.715 -0.195 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.773 -4.603 2.055 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.719 -5.207 1.296 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.514 -5.308 3.061 1.00 0.00 H new ATOM 369 N GLU A 27 0.057 -9.634 0.456 1.00 0.00 N ATOM 370 CA GLU A 27 0.626 -10.908 0.032 1.00 0.00 C ATOM 371 C GLU A 27 1.380 -10.755 -1.286 1.00 0.00 C ATOM 372 O GLU A 27 0.782 -10.483 -2.327 1.00 0.00 O ATOM 373 CB GLU A 27 -0.476 -11.959 -0.117 1.00 0.00 C ATOM 374 CG GLU A 27 -1.139 -12.336 1.197 1.00 0.00 C ATOM 375 CD GLU A 27 -1.853 -13.672 1.128 1.00 0.00 C ATOM 376 OE1 GLU A 27 -2.812 -13.793 0.338 1.00 0.00 O ATOM 377 OE2 GLU A 27 -1.451 -14.597 1.864 1.00 0.00 O ATOM 0 H GLU A 27 -0.447 -9.132 -0.275 1.00 0.00 H new ATOM 0 HA GLU A 27 1.330 -11.236 0.797 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.235 -11.582 -0.802 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.053 -12.855 -0.571 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.385 -12.372 1.983 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.853 -11.561 1.475 1.00 0.00 H new ATOM 384 N ASP A 28 2.695 -10.931 -1.232 1.00 0.00 N ATOM 385 CA ASP A 28 3.532 -10.813 -2.420 1.00 0.00 C ATOM 386 C ASP A 28 3.409 -9.423 -3.037 1.00 0.00 C ATOM 387 O ASP A 28 3.487 -9.263 -4.254 1.00 0.00 O ATOM 388 CB ASP A 28 3.146 -11.877 -3.449 1.00 0.00 C ATOM 389 CG ASP A 28 3.914 -13.171 -3.260 1.00 0.00 C ATOM 390 OD1 ASP A 28 5.133 -13.104 -2.999 1.00 0.00 O ATOM 391 OD2 ASP A 28 3.296 -14.250 -3.374 1.00 0.00 O ATOM 0 H ASP A 28 3.205 -11.156 -0.378 1.00 0.00 H new ATOM 0 HA ASP A 28 4.569 -10.967 -2.120 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.077 -12.078 -3.376 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.330 -11.492 -4.452 1.00 0.00 H new ATOM 396 N GLY A 29 3.213 -8.419 -2.187 1.00 0.00 N ATOM 397 CA GLY A 29 3.080 -7.056 -2.666 1.00 0.00 C ATOM 398 C GLY A 29 1.686 -6.755 -3.179 1.00 0.00 C ATOM 399 O GLY A 29 1.481 -5.781 -3.904 1.00 0.00 O ATOM 0 H GLY A 29 3.144 -8.526 -1.175 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.324 -6.365 -1.859 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.803 -6.882 -3.463 1.00 0.00 H new ATOM 403 N ILE A 30 0.726 -7.594 -2.804 1.00 0.00 N ATOM 404 CA ILE A 30 -0.656 -7.412 -3.231 1.00 0.00 C ATOM 405 C ILE A 30 -1.625 -7.661 -2.080 1.00 0.00 C ATOM 406 O ILE A 30 -1.683 -8.762 -1.532 1.00 0.00 O ATOM 407 CB ILE A 30 -1.012 -8.351 -4.399 1.00 0.00 C ATOM 408 CG1 ILE A 30 -0.018 -8.170 -5.549 1.00 0.00 C ATOM 409 CG2 ILE A 30 -2.433 -8.090 -4.874 1.00 0.00 C ATOM 410 CD1 ILE A 30 -0.288 -9.077 -6.729 1.00 0.00 C ATOM 0 H ILE A 30 0.880 -8.406 -2.206 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.750 -6.378 -3.564 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.950 -9.382 -4.049 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.047 -7.133 -5.884 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.990 -8.358 -5.180 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.670 -8.761 -5.700 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.129 -8.265 -4.053 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.520 -7.057 -5.210 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.455 -8.894 -7.506 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.230 -10.117 -6.409 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.283 -8.874 -7.124 1.00 0.00 H new ATOM 422 N ILE A 31 -2.384 -6.632 -1.721 1.00 0.00 N ATOM 423 CA ILE A 31 -3.353 -6.741 -0.637 1.00 0.00 C ATOM 424 C ILE A 31 -4.430 -7.770 -0.963 1.00 0.00 C ATOM 425 O ILE A 31 -4.905 -7.849 -2.096 1.00 0.00 O ATOM 426 CB ILE A 31 -4.025 -5.386 -0.345 1.00 0.00 C ATOM 427 CG1 ILE A 31 -2.966 -4.309 -0.101 1.00 0.00 C ATOM 428 CG2 ILE A 31 -4.956 -5.504 0.853 1.00 0.00 C ATOM 429 CD1 ILE A 31 -3.430 -2.914 -0.459 1.00 0.00 C ATOM 0 H ILE A 31 -2.347 -5.714 -2.164 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.803 -7.063 0.247 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.617 -5.096 -1.213 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.675 -4.328 0.949 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.076 -4.548 -0.683 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.423 -4.539 1.047 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.727 -6.245 0.643 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.385 -5.813 1.728 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.629 -2.202 -0.261 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.694 -2.878 -1.516 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.302 -2.655 0.141 1.00 0.00 H new ATOM 441 N CYS A 32 -4.811 -8.556 0.038 1.00 0.00 N ATOM 442 CA CYS A 32 -5.834 -9.581 -0.142 1.00 0.00 C ATOM 443 C CYS A 32 -7.031 -9.319 0.766 1.00 0.00 C ATOM 444 O CYS A 32 -8.157 -9.157 0.295 1.00 0.00 O ATOM 445 CB CYS A 32 -5.253 -10.966 0.146 1.00 0.00 C ATOM 446 SG CYS A 32 -6.033 -12.302 -0.789 1.00 0.00 S ATOM 0 H CYS A 32 -4.428 -8.504 0.982 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.172 -9.545 -1.178 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.186 -10.955 -0.078 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.353 -11.176 1.211 1.00 0.00 H new ATOM 0 HG CYS A 32 -5.472 -13.433 -0.479 1.00 0.00 H new ATOM 452 N SER A 33 -6.781 -9.280 2.071 1.00 0.00 N ATOM 453 CA SER A 33 -7.839 -9.044 3.046 1.00 0.00 C ATOM 454 C SER A 33 -7.648 -7.698 3.739 1.00 0.00 C ATOM 455 O SER A 33 -6.540 -7.163 3.789 1.00 0.00 O ATOM 456 CB SER A 33 -7.864 -10.166 4.085 1.00 0.00 C ATOM 457 OG SER A 33 -6.956 -9.904 5.141 1.00 0.00 O ATOM 0 H SER A 33 -5.854 -9.409 2.477 1.00 0.00 H new ATOM 0 HA SER A 33 -8.791 -9.029 2.516 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.872 -10.272 4.486 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.609 -11.113 3.609 1.00 0.00 H new ATOM 0 HG SER A 33 -6.992 -10.635 5.793 1.00 0.00 H new ATOM 463 N LEU A 34 -8.737 -7.155 4.273 1.00 0.00 N ATOM 464 CA LEU A 34 -8.692 -5.871 4.964 1.00 0.00 C ATOM 465 C LEU A 34 -9.471 -5.930 6.274 1.00 0.00 C ATOM 466 O LEU A 34 -10.602 -6.415 6.315 1.00 0.00 O ATOM 467 CB LEU A 34 -9.259 -4.768 4.069 1.00 0.00 C ATOM 468 CG LEU A 34 -8.680 -3.369 4.280 1.00 0.00 C ATOM 469 CD1 LEU A 34 -8.887 -2.513 3.040 1.00 0.00 C ATOM 470 CD2 LEU A 34 -9.309 -2.708 5.497 1.00 0.00 C ATOM 0 H LEU A 34 -9.662 -7.584 4.241 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.650 -5.645 5.192 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.098 -5.053 3.029 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.337 -4.720 4.224 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.609 -3.464 4.457 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.469 -1.521 3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.388 -2.978 2.190 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -9.953 -2.426 2.832 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.884 -1.713 5.631 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -10.386 -2.626 5.351 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.108 -3.311 6.383 1.00 0.00 H new ATOM 482 N LEU A 35 -8.859 -5.433 7.343 1.00 0.00 N ATOM 483 CA LEU A 35 -9.496 -5.427 8.656 1.00 0.00 C ATOM 484 C LEU A 35 -10.706 -4.498 8.669 1.00 0.00 C ATOM 485 O LEU A 35 -10.584 -3.300 8.415 1.00 0.00 O ATOM 486 CB LEU A 35 -8.494 -4.994 9.728 1.00 0.00 C ATOM 487 CG LEU A 35 -9.023 -4.952 11.162 1.00 0.00 C ATOM 488 CD1 LEU A 35 -8.965 -6.335 11.793 1.00 0.00 C ATOM 489 CD2 LEU A 35 -8.233 -3.952 11.993 1.00 0.00 C ATOM 0 H LEU A 35 -7.923 -5.029 7.327 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.836 -6.440 8.873 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.642 -5.673 9.696 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.122 -4.003 9.470 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.064 -4.630 11.135 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.345 -6.286 12.813 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.575 -7.026 11.211 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.933 -6.685 11.807 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -8.623 -3.936 13.011 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.183 -4.244 12.012 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.326 -2.959 11.553 1.00 0.00 H new ATOM 501 N ARG A 36 -11.872 -5.059 8.970 1.00 0.00 N ATOM 502 CA ARG A 36 -13.104 -4.281 9.018 1.00 0.00 C ATOM 503 C ARG A 36 -13.071 -3.281 10.169 1.00 0.00 C ATOM 504 O ARG A 36 -12.812 -3.646 11.315 1.00 0.00 O ATOM 505 CB ARG A 36 -14.312 -5.208 9.169 1.00 0.00 C ATOM 506 CG ARG A 36 -15.642 -4.526 8.890 1.00 0.00 C ATOM 507 CD ARG A 36 -16.734 -5.539 8.585 1.00 0.00 C ATOM 508 NE ARG A 36 -16.957 -6.456 9.699 1.00 0.00 N ATOM 509 CZ ARG A 36 -17.633 -6.130 10.796 1.00 0.00 C ATOM 510 NH1 ARG A 36 -18.149 -4.915 10.923 1.00 0.00 N ATOM 511 NH2 ARG A 36 -17.794 -7.019 11.767 1.00 0.00 N ATOM 0 H ARG A 36 -11.990 -6.049 9.184 1.00 0.00 H new ATOM 0 HA ARG A 36 -13.192 -3.729 8.082 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -14.198 -6.053 8.491 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -14.325 -5.611 10.182 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -15.932 -3.925 9.752 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -15.532 -3.843 8.048 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -17.662 -5.014 8.356 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -16.462 -6.108 7.696 1.00 0.00 H new ATOM 0 HE ARG A 36 -16.573 -7.399 9.632 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -18.027 -4.229 10.178 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -18.667 -4.667 11.766 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -17.399 -7.955 11.673 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -18.313 -6.767 12.608 1.00 0.00 H new ATOM 525 N GLY A 37 -13.334 -2.016 9.855 1.00 0.00 N ATOM 526 CA GLY A 37 -13.328 -0.982 10.873 1.00 0.00 C ATOM 527 C GLY A 37 -11.934 -0.681 11.386 1.00 0.00 C ATOM 528 O GLY A 37 -11.711 -0.608 12.594 1.00 0.00 O ATOM 0 H GLY A 37 -13.551 -1.689 8.914 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -13.766 -0.071 10.464 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -13.959 -1.293 11.706 1.00 0.00 H new ATOM 532 N GLY A 38 -10.991 -0.506 10.465 1.00 0.00 N ATOM 533 CA GLY A 38 -9.622 -0.216 10.850 1.00 0.00 C ATOM 534 C GLY A 38 -9.101 1.060 10.219 1.00 0.00 C ATOM 535 O GLY A 38 -9.853 2.015 10.021 1.00 0.00 O ATOM 0 H GLY A 38 -11.151 -0.560 9.459 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.563 -0.132 11.935 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.982 -1.049 10.560 1.00 0.00 H new ATOM 539 N ILE A 39 -7.810 1.078 9.904 1.00 0.00 N ATOM 540 CA ILE A 39 -7.190 2.246 9.292 1.00 0.00 C ATOM 541 C ILE A 39 -7.206 2.144 7.771 1.00 0.00 C ATOM 542 O ILE A 39 -7.664 3.055 7.082 1.00 0.00 O ATOM 543 CB ILE A 39 -5.736 2.426 9.768 1.00 0.00 C ATOM 544 CG1 ILE A 39 -5.644 2.225 11.282 1.00 0.00 C ATOM 545 CG2 ILE A 39 -5.217 3.801 9.378 1.00 0.00 C ATOM 546 CD1 ILE A 39 -4.224 2.206 11.804 1.00 0.00 C ATOM 0 H ILE A 39 -7.174 0.297 10.063 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.775 3.112 9.602 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.114 1.674 9.282 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.195 3.023 11.780 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.132 1.287 11.546 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.189 3.913 9.721 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.251 3.909 8.294 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.839 4.569 9.839 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.235 2.060 12.884 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.674 1.391 11.333 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.738 3.154 11.571 1.00 0.00 H new ATOM 558 N ALA A 40 -6.703 1.028 7.253 1.00 0.00 N ATOM 559 CA ALA A 40 -6.663 0.805 5.813 1.00 0.00 C ATOM 560 C ALA A 40 -7.895 1.393 5.132 1.00 0.00 C ATOM 561 O ALA A 40 -7.782 2.274 4.280 1.00 0.00 O ATOM 562 CB ALA A 40 -6.551 -0.682 5.512 1.00 0.00 C ATOM 0 H ALA A 40 -6.318 0.265 7.809 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.784 1.312 5.416 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.522 -0.834 4.433 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.638 -1.076 5.958 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.413 -1.203 5.929 1.00 0.00 H new ATOM 568 N GLU A 41 -9.069 0.899 5.513 1.00 0.00 N ATOM 569 CA GLU A 41 -10.320 1.375 4.937 1.00 0.00 C ATOM 570 C GLU A 41 -10.396 2.899 4.983 1.00 0.00 C ATOM 571 O GLU A 41 -10.825 3.539 4.023 1.00 0.00 O ATOM 572 CB GLU A 41 -11.513 0.772 5.681 1.00 0.00 C ATOM 573 CG GLU A 41 -12.853 1.073 5.031 1.00 0.00 C ATOM 574 CD GLU A 41 -13.996 0.310 5.671 1.00 0.00 C ATOM 575 OE1 GLU A 41 -13.843 -0.129 6.829 1.00 0.00 O ATOM 576 OE2 GLU A 41 -15.046 0.152 5.012 1.00 0.00 O ATOM 0 H GLU A 41 -9.179 0.170 6.218 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.353 1.058 3.895 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.383 -0.309 5.742 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.522 1.151 6.703 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -13.053 2.142 5.097 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.803 0.823 3.971 1.00 0.00 H new ATOM 583 N ARG A 42 -9.976 3.472 6.106 1.00 0.00 N ATOM 584 CA ARG A 42 -9.997 4.919 6.279 1.00 0.00 C ATOM 585 C ARG A 42 -9.047 5.598 5.297 1.00 0.00 C ATOM 586 O ARG A 42 -9.430 6.531 4.592 1.00 0.00 O ATOM 587 CB ARG A 42 -9.614 5.288 7.714 1.00 0.00 C ATOM 588 CG ARG A 42 -10.642 4.860 8.748 1.00 0.00 C ATOM 589 CD ARG A 42 -10.307 5.406 10.127 1.00 0.00 C ATOM 590 NE ARG A 42 -11.471 5.419 11.009 1.00 0.00 N ATOM 591 CZ ARG A 42 -11.417 5.759 12.292 1.00 0.00 C ATOM 592 NH1 ARG A 42 -10.263 6.114 12.839 1.00 0.00 N ATOM 593 NH2 ARG A 42 -12.520 5.745 13.030 1.00 0.00 N ATOM 0 H ARG A 42 -9.617 2.956 6.909 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.010 5.269 6.079 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.656 4.828 7.955 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.475 6.367 7.778 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -11.629 5.210 8.447 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.688 3.772 8.788 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.520 4.800 10.575 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.914 6.418 10.030 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.375 5.152 10.618 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.414 6.127 12.275 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.224 6.375 13.824 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.410 5.473 12.612 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.478 6.006 14.015 1.00 0.00 H new ATOM 607 N GLY A 43 -7.806 5.124 5.258 1.00 0.00 N ATOM 608 CA GLY A 43 -6.820 5.697 4.360 1.00 0.00 C ATOM 609 C GLY A 43 -7.232 5.594 2.905 1.00 0.00 C ATOM 610 O GLY A 43 -7.193 6.580 2.170 1.00 0.00 O ATOM 0 H GLY A 43 -7.465 4.353 5.832 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -6.664 6.745 4.617 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.866 5.189 4.501 1.00 0.00 H new ATOM 614 N GLY A 44 -7.627 4.395 2.487 1.00 0.00 N ATOM 615 CA GLY A 44 -8.040 4.189 1.111 1.00 0.00 C ATOM 616 C GLY A 44 -7.487 2.904 0.526 1.00 0.00 C ATOM 617 O GLY A 44 -7.231 2.821 -0.675 1.00 0.00 O ATOM 0 H GLY A 44 -7.668 3.563 3.076 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.129 4.169 1.061 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.709 5.032 0.505 1.00 0.00 H new ATOM 621 N ILE A 45 -7.300 1.901 1.377 1.00 0.00 N ATOM 622 CA ILE A 45 -6.773 0.615 0.937 1.00 0.00 C ATOM 623 C ILE A 45 -7.893 -0.309 0.473 1.00 0.00 C ATOM 624 O ILE A 45 -8.906 -0.465 1.155 1.00 0.00 O ATOM 625 CB ILE A 45 -5.980 -0.082 2.059 1.00 0.00 C ATOM 626 CG1 ILE A 45 -4.849 0.823 2.551 1.00 0.00 C ATOM 627 CG2 ILE A 45 -5.427 -1.411 1.569 1.00 0.00 C ATOM 628 CD1 ILE A 45 -3.753 1.032 1.529 1.00 0.00 C ATOM 0 H ILE A 45 -7.505 1.954 2.375 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.103 0.818 0.101 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.654 -0.277 2.894 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.265 1.792 2.829 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.416 0.391 3.453 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.869 -1.892 2.373 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.250 -2.057 1.262 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.765 -1.239 0.720 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.985 1.684 1.947 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.310 0.071 1.268 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.173 1.493 0.635 1.00 0.00 H new ATOM 640 N ARG A 46 -7.704 -0.919 -0.693 1.00 0.00 N ATOM 641 CA ARG A 46 -8.699 -1.829 -1.249 1.00 0.00 C ATOM 642 C ARG A 46 -8.038 -3.095 -1.785 1.00 0.00 C ATOM 643 O ARG A 46 -7.155 -3.033 -2.640 1.00 0.00 O ATOM 644 CB ARG A 46 -9.485 -1.138 -2.365 1.00 0.00 C ATOM 645 CG ARG A 46 -10.728 -0.413 -1.877 1.00 0.00 C ATOM 646 CD ARG A 46 -11.941 -1.329 -1.868 1.00 0.00 C ATOM 647 NE ARG A 46 -11.999 -2.150 -0.662 1.00 0.00 N ATOM 648 CZ ARG A 46 -12.981 -3.006 -0.401 1.00 0.00 C ATOM 649 NH1 ARG A 46 -13.981 -3.153 -1.259 1.00 0.00 N ATOM 650 NH2 ARG A 46 -12.963 -3.717 0.719 1.00 0.00 N ATOM 0 H ARG A 46 -6.872 -0.800 -1.271 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.386 -2.109 -0.450 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.833 -0.424 -2.869 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.776 -1.882 -3.107 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.555 -0.028 -0.872 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.925 0.446 -2.518 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -12.848 -0.729 -1.942 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.913 -1.975 -2.745 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.244 -2.061 0.018 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.997 -2.608 -2.121 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -14.734 -3.811 -1.057 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -12.195 -3.607 1.381 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -13.717 -4.374 0.918 1.00 0.00 H new ATOM 664 N VAL A 47 -8.473 -4.244 -1.277 1.00 0.00 N ATOM 665 CA VAL A 47 -7.924 -5.525 -1.704 1.00 0.00 C ATOM 666 C VAL A 47 -7.981 -5.668 -3.221 1.00 0.00 C ATOM 667 O VAL A 47 -8.810 -5.046 -3.884 1.00 0.00 O ATOM 668 CB VAL A 47 -8.680 -6.703 -1.060 1.00 0.00 C ATOM 669 CG1 VAL A 47 -8.655 -6.588 0.456 1.00 0.00 C ATOM 670 CG2 VAL A 47 -10.111 -6.762 -1.575 1.00 0.00 C ATOM 0 H VAL A 47 -9.204 -4.313 -0.569 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.884 -5.549 -1.378 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.179 -7.630 -1.338 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.194 -7.428 0.894 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.622 -6.598 0.805 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.131 -5.655 0.758 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.631 -7.600 -1.110 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.625 -5.833 -1.328 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -10.103 -6.895 -2.657 1.00 0.00 H new ATOM 680 N GLY A 48 -7.092 -6.494 -3.766 1.00 0.00 N ATOM 681 CA GLY A 48 -7.058 -6.705 -5.201 1.00 0.00 C ATOM 682 C GLY A 48 -6.017 -5.843 -5.889 1.00 0.00 C ATOM 683 O GLY A 48 -5.431 -6.247 -6.894 1.00 0.00 O ATOM 0 H GLY A 48 -6.395 -7.020 -3.239 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.849 -7.755 -5.406 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.040 -6.488 -5.621 1.00 0.00 H new ATOM 687 N HIS A 49 -5.788 -4.650 -5.348 1.00 0.00 N ATOM 688 CA HIS A 49 -4.811 -3.728 -5.917 1.00 0.00 C ATOM 689 C HIS A 49 -3.395 -4.107 -5.494 1.00 0.00 C ATOM 690 O HIS A 49 -3.169 -4.536 -4.363 1.00 0.00 O ATOM 691 CB HIS A 49 -5.119 -2.295 -5.483 1.00 0.00 C ATOM 692 CG HIS A 49 -6.245 -1.667 -6.246 1.00 0.00 C ATOM 693 ND1 HIS A 49 -6.220 -0.360 -6.684 1.00 0.00 N ATOM 694 CD2 HIS A 49 -7.433 -2.175 -6.649 1.00 0.00 C ATOM 695 CE1 HIS A 49 -7.345 -0.090 -7.323 1.00 0.00 C ATOM 696 NE2 HIS A 49 -8.098 -1.176 -7.316 1.00 0.00 N ATOM 0 H HIS A 49 -6.265 -4.300 -4.517 1.00 0.00 H new ATOM 0 HA HIS A 49 -4.876 -3.793 -7.003 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -5.364 -2.290 -4.421 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -4.223 -1.686 -5.606 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.791 -3.179 -6.478 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -7.605 0.856 -7.774 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -9.023 -1.259 -7.738 1.00 0.00 H new ATOM 704 N ARG A 50 -2.446 -3.946 -6.411 1.00 0.00 N ATOM 705 CA ARG A 50 -1.053 -4.274 -6.133 1.00 0.00 C ATOM 706 C ARG A 50 -0.263 -3.021 -5.763 1.00 0.00 C ATOM 707 O ARG A 50 -0.590 -1.918 -6.201 1.00 0.00 O ATOM 708 CB ARG A 50 -0.414 -4.952 -7.347 1.00 0.00 C ATOM 709 CG ARG A 50 1.093 -5.112 -7.232 1.00 0.00 C ATOM 710 CD ARG A 50 1.694 -5.659 -8.517 1.00 0.00 C ATOM 711 NE ARG A 50 3.030 -6.210 -8.305 1.00 0.00 N ATOM 712 CZ ARG A 50 3.593 -7.103 -9.112 1.00 0.00 C ATOM 713 NH1 ARG A 50 2.940 -7.543 -10.178 1.00 0.00 N ATOM 714 NH2 ARG A 50 4.813 -7.557 -8.852 1.00 0.00 N ATOM 0 H ARG A 50 -2.616 -3.591 -7.352 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.030 -4.961 -5.287 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.866 -5.935 -7.483 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.642 -4.370 -8.240 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.546 -4.148 -6.999 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.327 -5.783 -6.405 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.042 -6.434 -8.921 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.744 -4.864 -9.261 1.00 0.00 H new ATOM 0 HE ARG A 50 3.560 -5.892 -7.493 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.003 -7.196 -10.381 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.375 -8.228 -10.796 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.319 -7.220 -8.033 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.245 -8.242 -9.472 1.00 0.00 H new ATOM 728 N ILE A 51 0.775 -3.200 -4.954 1.00 0.00 N ATOM 729 CA ILE A 51 1.611 -2.085 -4.526 1.00 0.00 C ATOM 730 C ILE A 51 2.742 -1.834 -5.517 1.00 0.00 C ATOM 731 O ILE A 51 3.433 -2.763 -5.935 1.00 0.00 O ATOM 732 CB ILE A 51 2.212 -2.336 -3.130 1.00 0.00 C ATOM 733 CG1 ILE A 51 1.113 -2.724 -2.139 1.00 0.00 C ATOM 734 CG2 ILE A 51 2.959 -1.102 -2.646 1.00 0.00 C ATOM 735 CD1 ILE A 51 0.280 -1.551 -1.672 1.00 0.00 C ATOM 0 H ILE A 51 1.058 -4.107 -4.581 1.00 0.00 H new ATOM 0 HA ILE A 51 0.968 -1.206 -4.483 1.00 0.00 H new ATOM 0 HB ILE A 51 2.920 -3.162 -3.198 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.459 -3.461 -2.604 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.569 -3.204 -1.273 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.378 -1.294 -1.658 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.764 -0.868 -3.342 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.271 -0.259 -2.590 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.479 -1.900 -0.972 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.922 -0.822 -1.177 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.204 -1.084 -2.530 1.00 0.00 H new ATOM 747 N ILE A 52 2.926 -0.571 -5.888 1.00 0.00 N ATOM 748 CA ILE A 52 3.975 -0.197 -6.828 1.00 0.00 C ATOM 749 C ILE A 52 4.906 0.850 -6.224 1.00 0.00 C ATOM 750 O ILE A 52 6.004 1.082 -6.729 1.00 0.00 O ATOM 751 CB ILE A 52 3.386 0.352 -8.140 1.00 0.00 C ATOM 752 CG1 ILE A 52 2.504 1.570 -7.858 1.00 0.00 C ATOM 753 CG2 ILE A 52 2.592 -0.729 -8.858 1.00 0.00 C ATOM 754 CD1 ILE A 52 2.195 2.392 -9.091 1.00 0.00 C ATOM 0 H ILE A 52 2.362 0.210 -5.552 1.00 0.00 H new ATOM 0 HA ILE A 52 4.542 -1.102 -7.045 1.00 0.00 H new ATOM 0 HB ILE A 52 4.206 0.663 -8.787 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.568 1.235 -7.411 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.999 2.205 -7.123 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.182 -0.325 -9.784 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.247 -1.570 -9.087 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.777 -1.068 -8.218 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.566 3.239 -8.816 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.125 2.757 -9.527 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.671 1.773 -9.819 1.00 0.00 H new ATOM 766 N GLU A 53 4.459 1.476 -5.140 1.00 0.00 N ATOM 767 CA GLU A 53 5.254 2.497 -4.467 1.00 0.00 C ATOM 768 C GLU A 53 4.755 2.724 -3.043 1.00 0.00 C ATOM 769 O GLU A 53 3.562 2.598 -2.765 1.00 0.00 O ATOM 770 CB GLU A 53 5.206 3.811 -5.251 1.00 0.00 C ATOM 771 CG GLU A 53 6.459 4.656 -5.099 1.00 0.00 C ATOM 772 CD GLU A 53 6.357 5.986 -5.821 1.00 0.00 C ATOM 773 OE1 GLU A 53 6.175 5.979 -7.056 1.00 0.00 O ATOM 774 OE2 GLU A 53 6.458 7.034 -5.149 1.00 0.00 O ATOM 0 H GLU A 53 3.552 1.295 -4.710 1.00 0.00 H new ATOM 0 HA GLU A 53 6.285 2.147 -4.421 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.054 3.589 -6.307 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.344 4.391 -4.920 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.646 4.835 -4.040 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.315 4.102 -5.484 1.00 0.00 H new ATOM 781 N ILE A 54 5.677 3.057 -2.146 1.00 0.00 N ATOM 782 CA ILE A 54 5.331 3.301 -0.751 1.00 0.00 C ATOM 783 C ILE A 54 6.237 4.364 -0.138 1.00 0.00 C ATOM 784 O ILE A 54 7.437 4.398 -0.404 1.00 0.00 O ATOM 785 CB ILE A 54 5.430 2.013 0.087 1.00 0.00 C ATOM 786 CG1 ILE A 54 6.893 1.594 0.248 1.00 0.00 C ATOM 787 CG2 ILE A 54 4.622 0.897 -0.559 1.00 0.00 C ATOM 788 CD1 ILE A 54 7.562 2.193 1.465 1.00 0.00 C ATOM 0 H ILE A 54 6.669 3.164 -2.360 1.00 0.00 H new ATOM 0 HA ILE A 54 4.300 3.654 -0.739 1.00 0.00 H new ATOM 0 HB ILE A 54 5.017 2.209 1.076 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.946 0.507 0.312 1.00 0.00 H new ATOM 0 HG13 ILE A 54 7.447 1.888 -0.643 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.702 -0.007 0.045 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.576 1.197 -0.626 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.008 0.700 -1.559 1.00 0.00 H new ATOM 0 HD11 ILE A 54 8.596 1.853 1.516 1.00 0.00 H new ATOM 0 HD12 ILE A 54 7.540 3.280 1.394 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.032 1.878 2.364 1.00 0.00 H new ATOM 800 N ASN A 55 5.652 5.228 0.685 1.00 0.00 N ATOM 801 CA ASN A 55 6.407 6.292 1.337 1.00 0.00 C ATOM 802 C ASN A 55 7.374 6.952 0.359 1.00 0.00 C ATOM 803 O ASN A 55 8.433 7.440 0.751 1.00 0.00 O ATOM 804 CB ASN A 55 7.177 5.737 2.537 1.00 0.00 C ATOM 805 CG ASN A 55 6.261 5.128 3.581 1.00 0.00 C ATOM 806 OD1 ASN A 55 6.314 3.926 3.843 1.00 0.00 O ATOM 807 ND2 ASN A 55 5.415 5.957 4.181 1.00 0.00 N ATOM 0 H ASN A 55 4.659 5.212 0.916 1.00 0.00 H new ATOM 0 HA ASN A 55 5.700 7.045 1.684 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.884 4.982 2.194 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.761 6.537 2.992 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.773 5.605 4.892 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.407 6.946 3.931 1.00 0.00 H new ATOM 814 N GLY A 56 7.001 6.963 -0.917 1.00 0.00 N ATOM 815 CA GLY A 56 7.845 7.566 -1.932 1.00 0.00 C ATOM 816 C GLY A 56 9.007 6.674 -2.323 1.00 0.00 C ATOM 817 O GLY A 56 10.121 7.154 -2.534 1.00 0.00 O ATOM 0 H GLY A 56 6.129 6.565 -1.266 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.246 7.785 -2.816 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.229 8.517 -1.563 1.00 0.00 H new ATOM 821 N GLN A 57 8.748 5.374 -2.419 1.00 0.00 N ATOM 822 CA GLN A 57 9.782 4.414 -2.785 1.00 0.00 C ATOM 823 C GLN A 57 9.226 3.345 -3.720 1.00 0.00 C ATOM 824 O GLN A 57 8.299 2.618 -3.365 1.00 0.00 O ATOM 825 CB GLN A 57 10.366 3.759 -1.532 1.00 0.00 C ATOM 826 CG GLN A 57 11.338 4.652 -0.776 1.00 0.00 C ATOM 827 CD GLN A 57 12.652 4.835 -1.507 1.00 0.00 C ATOM 828 OE1 GLN A 57 12.676 5.181 -2.689 1.00 0.00 O ATOM 829 NE2 GLN A 57 13.757 4.603 -0.808 1.00 0.00 N ATOM 0 H GLN A 57 7.831 4.962 -2.248 1.00 0.00 H new ATOM 0 HA GLN A 57 10.573 4.952 -3.308 1.00 0.00 H new ATOM 0 HB2 GLN A 57 9.551 3.477 -0.866 1.00 0.00 H new ATOM 0 HB3 GLN A 57 10.877 2.839 -1.817 1.00 0.00 H new ATOM 0 HG2 GLN A 57 10.878 5.627 -0.613 1.00 0.00 H new ATOM 0 HG3 GLN A 57 11.530 4.222 0.207 1.00 0.00 H new ATOM 0 HE21 GLN A 57 13.692 4.318 0.169 1.00 0.00 H new ATOM 0 HE22 GLN A 57 14.671 4.710 -1.248 1.00 0.00 H new ATOM 838 N SER A 58 9.799 3.256 -4.916 1.00 0.00 N ATOM 839 CA SER A 58 9.358 2.278 -5.904 1.00 0.00 C ATOM 840 C SER A 58 9.612 0.856 -5.412 1.00 0.00 C ATOM 841 O SER A 58 10.758 0.447 -5.225 1.00 0.00 O ATOM 842 CB SER A 58 10.078 2.506 -7.234 1.00 0.00 C ATOM 843 OG SER A 58 9.466 3.549 -7.973 1.00 0.00 O ATOM 0 H SER A 58 10.569 3.849 -5.224 1.00 0.00 H new ATOM 0 HA SER A 58 8.286 2.406 -6.053 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.123 2.753 -7.048 1.00 0.00 H new ATOM 0 HB3 SER A 58 10.067 1.587 -7.819 1.00 0.00 H new ATOM 0 HG SER A 58 9.946 3.676 -8.818 1.00 0.00 H new ATOM 849 N VAL A 59 8.534 0.108 -5.203 1.00 0.00 N ATOM 850 CA VAL A 59 8.638 -1.269 -4.734 1.00 0.00 C ATOM 851 C VAL A 59 8.012 -2.238 -5.731 1.00 0.00 C ATOM 852 O VAL A 59 7.764 -3.400 -5.411 1.00 0.00 O ATOM 853 CB VAL A 59 7.956 -1.448 -3.364 1.00 0.00 C ATOM 854 CG1 VAL A 59 8.717 -0.691 -2.286 1.00 0.00 C ATOM 855 CG2 VAL A 59 6.507 -0.989 -3.427 1.00 0.00 C ATOM 0 H VAL A 59 7.578 0.432 -5.351 1.00 0.00 H new ATOM 0 HA VAL A 59 9.701 -1.490 -4.635 1.00 0.00 H new ATOM 0 HB VAL A 59 7.967 -2.507 -3.107 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.221 -0.829 -1.325 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.737 -1.071 -2.226 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.739 0.370 -2.534 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.040 -1.122 -2.451 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.471 0.064 -3.706 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.970 -1.579 -4.170 1.00 0.00 H new ATOM 865 N VAL A 60 7.761 -1.752 -6.942 1.00 0.00 N ATOM 866 CA VAL A 60 7.166 -2.575 -7.988 1.00 0.00 C ATOM 867 C VAL A 60 7.985 -3.839 -8.225 1.00 0.00 C ATOM 868 O VAL A 60 7.434 -4.907 -8.491 1.00 0.00 O ATOM 869 CB VAL A 60 7.044 -1.799 -9.313 1.00 0.00 C ATOM 870 CG1 VAL A 60 8.343 -1.073 -9.627 1.00 0.00 C ATOM 871 CG2 VAL A 60 6.660 -2.738 -10.446 1.00 0.00 C ATOM 0 H VAL A 60 7.961 -0.792 -7.223 1.00 0.00 H new ATOM 0 HA VAL A 60 6.169 -2.850 -7.645 1.00 0.00 H new ATOM 0 HB VAL A 60 6.256 -1.054 -9.207 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.239 -0.530 -10.566 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.570 -0.370 -8.825 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.153 -1.797 -9.715 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.578 -2.173 -11.375 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.424 -3.508 -10.555 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.702 -3.207 -10.221 1.00 0.00 H new ATOM 881 N ALA A 61 9.304 -3.710 -8.126 1.00 0.00 N ATOM 882 CA ALA A 61 10.199 -4.842 -8.327 1.00 0.00 C ATOM 883 C ALA A 61 10.889 -5.234 -7.025 1.00 0.00 C ATOM 884 O ALA A 61 11.915 -5.916 -7.034 1.00 0.00 O ATOM 885 CB ALA A 61 11.232 -4.514 -9.396 1.00 0.00 C ATOM 0 H ALA A 61 9.776 -2.833 -7.908 1.00 0.00 H new ATOM 0 HA ALA A 61 9.602 -5.691 -8.661 1.00 0.00 H new ATOM 0 HB1 ALA A 61 11.894 -5.368 -9.536 1.00 0.00 H new ATOM 0 HB2 ALA A 61 10.725 -4.290 -10.335 1.00 0.00 H new ATOM 0 HB3 ALA A 61 11.817 -3.649 -9.084 1.00 0.00 H new ATOM 891 N THR A 62 10.320 -4.800 -5.905 1.00 0.00 N ATOM 892 CA THR A 62 10.881 -5.104 -4.595 1.00 0.00 C ATOM 893 C THR A 62 10.183 -6.303 -3.963 1.00 0.00 C ATOM 894 O THR A 62 8.962 -6.446 -4.028 1.00 0.00 O ATOM 895 CB THR A 62 10.770 -3.899 -3.642 1.00 0.00 C ATOM 896 OG1 THR A 62 11.537 -2.801 -4.149 1.00 0.00 O ATOM 897 CG2 THR A 62 11.258 -4.264 -2.248 1.00 0.00 C ATOM 0 H THR A 62 9.470 -4.236 -5.879 1.00 0.00 H new ATOM 0 HA THR A 62 11.934 -5.339 -4.749 1.00 0.00 H new ATOM 0 HB THR A 62 9.721 -3.610 -3.578 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.592 -2.098 -3.468 1.00 0.00 H new ATOM 0 HG21 THR A 62 11.170 -3.397 -1.593 1.00 0.00 H new ATOM 0 HG22 THR A 62 10.653 -5.080 -1.853 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.301 -4.576 -2.298 1.00 0.00 H new ATOM 905 N PRO A 63 10.973 -7.186 -3.335 1.00 0.00 N ATOM 906 CA PRO A 63 10.452 -8.388 -2.678 1.00 0.00 C ATOM 907 C PRO A 63 9.654 -8.061 -1.420 1.00 0.00 C ATOM 908 O PRO A 63 10.084 -7.259 -0.591 1.00 0.00 O ATOM 909 CB PRO A 63 11.716 -9.173 -2.320 1.00 0.00 C ATOM 910 CG PRO A 63 12.786 -8.142 -2.213 1.00 0.00 C ATOM 911 CD PRO A 63 12.437 -7.079 -3.219 1.00 0.00 C ATOM 0 HA PRO A 63 9.761 -8.936 -3.319 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.593 -9.715 -1.382 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.953 -9.912 -3.086 1.00 0.00 H new ATOM 0 HG2 PRO A 63 12.829 -7.727 -1.206 1.00 0.00 H new ATOM 0 HG3 PRO A 63 13.765 -8.572 -2.423 1.00 0.00 H new ATOM 0 HD2 PRO A 63 12.742 -6.089 -2.880 1.00 0.00 H new ATOM 0 HD3 PRO A 63 12.930 -7.254 -4.175 1.00 0.00 H new ATOM 919 N HIS A 64 8.490 -8.688 -1.284 1.00 0.00 N ATOM 920 CA HIS A 64 7.632 -8.464 -0.126 1.00 0.00 C ATOM 921 C HIS A 64 8.464 -8.263 1.136 1.00 0.00 C ATOM 922 O HIS A 64 8.310 -7.267 1.841 1.00 0.00 O ATOM 923 CB HIS A 64 6.675 -9.642 0.062 1.00 0.00 C ATOM 924 CG HIS A 64 5.952 -9.623 1.373 1.00 0.00 C ATOM 925 ND1 HIS A 64 4.591 -9.431 1.480 1.00 0.00 N ATOM 926 CD2 HIS A 64 6.409 -9.775 2.638 1.00 0.00 C ATOM 927 CE1 HIS A 64 4.242 -9.465 2.754 1.00 0.00 C ATOM 928 NE2 HIS A 64 5.327 -9.672 3.478 1.00 0.00 N ATOM 0 H HIS A 64 8.119 -9.355 -1.961 1.00 0.00 H new ATOM 0 HA HIS A 64 7.051 -7.559 -0.305 1.00 0.00 H new ATOM 0 HB2 HIS A 64 5.944 -9.638 -0.747 1.00 0.00 H new ATOM 0 HB3 HIS A 64 7.237 -10.572 -0.020 1.00 0.00 H new ATOM 0 HD1 HIS A 64 3.953 -9.285 0.698 1.00 0.00 H new ATOM 0 HD2 HIS A 64 7.434 -9.946 2.932 1.00 0.00 H new ATOM 0 HE1 HIS A 64 3.240 -9.344 3.138 1.00 0.00 H new ATOM 936 N ALA A 65 9.347 -9.217 1.415 1.00 0.00 N ATOM 937 CA ALA A 65 10.204 -9.144 2.592 1.00 0.00 C ATOM 938 C ALA A 65 10.597 -7.703 2.896 1.00 0.00 C ATOM 939 O ALA A 65 10.321 -7.190 3.980 1.00 0.00 O ATOM 940 CB ALA A 65 11.446 -10.002 2.394 1.00 0.00 C ATOM 0 H ALA A 65 9.487 -10.049 0.842 1.00 0.00 H new ATOM 0 HA ALA A 65 9.643 -9.527 3.444 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.077 -9.938 3.280 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.150 -11.039 2.233 1.00 0.00 H new ATOM 0 HB3 ALA A 65 12.001 -9.644 1.527 1.00 0.00 H new ATOM 946 N ARG A 66 11.244 -7.055 1.933 1.00 0.00 N ATOM 947 CA ARG A 66 11.677 -5.673 2.099 1.00 0.00 C ATOM 948 C ARG A 66 10.479 -4.746 2.283 1.00 0.00 C ATOM 949 O ARG A 66 10.435 -3.951 3.222 1.00 0.00 O ATOM 950 CB ARG A 66 12.501 -5.225 0.890 1.00 0.00 C ATOM 951 CG ARG A 66 12.736 -3.724 0.835 1.00 0.00 C ATOM 952 CD ARG A 66 13.677 -3.267 1.939 1.00 0.00 C ATOM 953 NE ARG A 66 14.424 -2.071 1.562 1.00 0.00 N ATOM 954 CZ ARG A 66 15.295 -2.034 0.559 1.00 0.00 C ATOM 955 NH1 ARG A 66 15.526 -3.122 -0.162 1.00 0.00 N ATOM 956 NH2 ARG A 66 15.935 -0.907 0.276 1.00 0.00 N ATOM 0 H ARG A 66 11.480 -7.465 1.029 1.00 0.00 H new ATOM 0 HA ARG A 66 12.298 -5.618 2.993 1.00 0.00 H new ATOM 0 HB2 ARG A 66 13.464 -5.735 0.909 1.00 0.00 H new ATOM 0 HB3 ARG A 66 11.992 -5.538 -0.022 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.154 -3.455 -0.135 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.784 -3.202 0.928 1.00 0.00 H new ATOM 0 HD2 ARG A 66 13.103 -3.066 2.844 1.00 0.00 H new ATOM 0 HD3 ARG A 66 14.375 -4.070 2.176 1.00 0.00 H new ATOM 0 HE ARG A 66 14.269 -1.217 2.098 1.00 0.00 H new ATOM 0 HH11 ARG A 66 15.035 -3.990 0.053 1.00 0.00 H new ATOM 0 HH12 ARG A 66 16.195 -3.091 -0.931 1.00 0.00 H new ATOM 0 HH21 ARG A 66 15.759 -0.068 0.828 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.603 -0.880 -0.494 1.00 0.00 H new ATOM 970 N ILE A 67 9.511 -4.854 1.380 1.00 0.00 N ATOM 971 CA ILE A 67 8.312 -4.026 1.443 1.00 0.00 C ATOM 972 C ILE A 67 7.796 -3.915 2.874 1.00 0.00 C ATOM 973 O ILE A 67 7.390 -2.839 3.315 1.00 0.00 O ATOM 974 CB ILE A 67 7.192 -4.588 0.547 1.00 0.00 C ATOM 975 CG1 ILE A 67 7.670 -4.687 -0.903 1.00 0.00 C ATOM 976 CG2 ILE A 67 5.950 -3.715 0.643 1.00 0.00 C ATOM 977 CD1 ILE A 67 6.664 -5.335 -1.827 1.00 0.00 C ATOM 0 H ILE A 67 9.533 -5.506 0.596 1.00 0.00 H new ATOM 0 HA ILE A 67 8.592 -3.036 1.082 1.00 0.00 H new ATOM 0 HB ILE A 67 6.937 -5.589 0.894 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.898 -3.687 -1.271 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.599 -5.257 -0.933 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.167 -4.125 0.005 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.601 -3.691 1.675 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.191 -2.703 0.318 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.070 -5.372 -2.838 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.454 -6.348 -1.483 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.742 -4.753 -1.827 1.00 0.00 H new ATOM 989 N ILE A 68 7.817 -5.032 3.593 1.00 0.00 N ATOM 990 CA ILE A 68 7.354 -5.058 4.975 1.00 0.00 C ATOM 991 C ILE A 68 8.237 -4.193 5.867 1.00 0.00 C ATOM 992 O ILE A 68 7.740 -3.403 6.669 1.00 0.00 O ATOM 993 CB ILE A 68 7.329 -6.494 5.532 1.00 0.00 C ATOM 994 CG1 ILE A 68 6.466 -7.394 4.646 1.00 0.00 C ATOM 995 CG2 ILE A 68 6.812 -6.497 6.963 1.00 0.00 C ATOM 996 CD1 ILE A 68 4.988 -7.081 4.725 1.00 0.00 C ATOM 0 H ILE A 68 8.149 -5.930 3.242 1.00 0.00 H new ATOM 0 HA ILE A 68 6.340 -4.659 4.976 1.00 0.00 H new ATOM 0 HB ILE A 68 8.346 -6.886 5.532 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.795 -7.295 3.612 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.625 -8.433 4.933 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.800 -7.518 7.343 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.464 -5.885 7.587 1.00 0.00 H new ATOM 0 HG23 ILE A 68 5.801 -6.089 6.986 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.437 -7.758 4.072 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.644 -7.208 5.751 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.817 -6.052 4.409 1.00 0.00 H new ATOM 1008 N GLU A 69 9.549 -4.348 5.721 1.00 0.00 N ATOM 1009 CA GLU A 69 10.501 -3.579 6.513 1.00 0.00 C ATOM 1010 C GLU A 69 10.314 -2.081 6.288 1.00 0.00 C ATOM 1011 O GLU A 69 10.476 -1.278 7.207 1.00 0.00 O ATOM 1012 CB GLU A 69 11.935 -3.983 6.162 1.00 0.00 C ATOM 1013 CG GLU A 69 12.461 -5.143 6.992 1.00 0.00 C ATOM 1014 CD GLU A 69 13.544 -5.927 6.278 1.00 0.00 C ATOM 1015 OE1 GLU A 69 13.205 -6.738 5.392 1.00 0.00 O ATOM 1016 OE2 GLU A 69 14.733 -5.728 6.605 1.00 0.00 O ATOM 0 H GLU A 69 9.976 -4.999 5.062 1.00 0.00 H new ATOM 0 HA GLU A 69 10.317 -3.796 7.565 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.980 -4.253 5.107 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.590 -3.123 6.299 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.855 -4.762 7.934 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.636 -5.812 7.239 1.00 0.00 H new ATOM 1023 N LEU A 70 9.972 -1.713 5.058 1.00 0.00 N ATOM 1024 CA LEU A 70 9.763 -0.312 4.709 1.00 0.00 C ATOM 1025 C LEU A 70 8.495 0.228 5.363 1.00 0.00 C ATOM 1026 O LEU A 70 8.555 1.090 6.241 1.00 0.00 O ATOM 1027 CB LEU A 70 9.675 -0.152 3.191 1.00 0.00 C ATOM 1028 CG LEU A 70 11.008 -0.061 2.447 1.00 0.00 C ATOM 1029 CD1 LEU A 70 10.778 0.022 0.946 1.00 0.00 C ATOM 1030 CD2 LEU A 70 11.810 1.138 2.933 1.00 0.00 C ATOM 0 H LEU A 70 9.834 -2.365 4.286 1.00 0.00 H new ATOM 0 HA LEU A 70 10.613 0.260 5.080 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.114 -0.996 2.789 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.098 0.747 2.973 1.00 0.00 H new ATOM 0 HG LEU A 70 11.581 -0.965 2.656 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.738 0.086 0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.246 -0.868 0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.185 0.907 0.717 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.755 1.187 2.393 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.243 2.052 2.755 1.00 0.00 H new ATOM 0 HD23 LEU A 70 12.007 1.036 4.000 1.00 0.00 H new ATOM 1042 N LEU A 71 7.348 -0.285 4.932 1.00 0.00 N ATOM 1043 CA LEU A 71 6.065 0.144 5.477 1.00 0.00 C ATOM 1044 C LEU A 71 6.136 0.278 6.995 1.00 0.00 C ATOM 1045 O LEU A 71 5.648 1.254 7.566 1.00 0.00 O ATOM 1046 CB LEU A 71 4.967 -0.850 5.092 1.00 0.00 C ATOM 1047 CG LEU A 71 4.264 -0.589 3.760 1.00 0.00 C ATOM 1048 CD1 LEU A 71 3.404 -1.781 3.368 1.00 0.00 C ATOM 1049 CD2 LEU A 71 3.421 0.676 3.840 1.00 0.00 C ATOM 0 H LEU A 71 7.280 -0.999 4.207 1.00 0.00 H new ATOM 0 HA LEU A 71 5.827 1.120 5.055 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.403 -1.848 5.060 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.216 -0.855 5.882 1.00 0.00 H new ATOM 0 HG LEU A 71 5.024 -0.447 2.992 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.911 -1.577 2.417 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.032 -2.666 3.269 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.651 -1.955 4.137 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.928 0.846 2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.669 0.563 4.621 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.062 1.526 4.074 1.00 0.00 H new ATOM 1061 N THR A 72 6.748 -0.708 7.643 1.00 0.00 N ATOM 1062 CA THR A 72 6.884 -0.700 9.094 1.00 0.00 C ATOM 1063 C THR A 72 7.660 0.524 9.567 1.00 0.00 C ATOM 1064 O THR A 72 7.236 1.221 10.487 1.00 0.00 O ATOM 1065 CB THR A 72 7.593 -1.971 9.599 1.00 0.00 C ATOM 1066 OG1 THR A 72 6.852 -3.133 9.210 1.00 0.00 O ATOM 1067 CG2 THR A 72 7.742 -1.942 11.113 1.00 0.00 C ATOM 0 H THR A 72 7.157 -1.523 7.186 1.00 0.00 H new ATOM 0 HA THR A 72 5.875 -0.668 9.506 1.00 0.00 H new ATOM 0 HB THR A 72 8.587 -2.008 9.152 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.162 -3.440 8.332 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.245 -2.850 11.447 1.00 0.00 H new ATOM 0 HG22 THR A 72 8.331 -1.072 11.404 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.756 -1.883 11.575 1.00 0.00 H new ATOM 1075 N GLU A 73 8.799 0.778 8.931 1.00 0.00 N ATOM 1076 CA GLU A 73 9.634 1.919 9.288 1.00 0.00 C ATOM 1077 C GLU A 73 8.852 3.224 9.170 1.00 0.00 C ATOM 1078 O GLU A 73 9.122 4.188 9.886 1.00 0.00 O ATOM 1079 CB GLU A 73 10.874 1.972 8.392 1.00 0.00 C ATOM 1080 CG GLU A 73 11.954 0.980 8.788 1.00 0.00 C ATOM 1081 CD GLU A 73 12.836 0.580 7.621 1.00 0.00 C ATOM 1082 OE1 GLU A 73 13.447 1.479 7.005 1.00 0.00 O ATOM 1083 OE2 GLU A 73 12.915 -0.630 7.324 1.00 0.00 O ATOM 0 H GLU A 73 9.165 0.210 8.167 1.00 0.00 H new ATOM 0 HA GLU A 73 9.948 1.796 10.325 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.576 1.779 7.361 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.290 2.979 8.420 1.00 0.00 H new ATOM 0 HG2 GLU A 73 12.572 1.416 9.573 1.00 0.00 H new ATOM 0 HG3 GLU A 73 11.487 0.089 9.208 1.00 0.00 H new ATOM 1090 N ALA A 74 7.882 3.246 8.262 1.00 0.00 N ATOM 1091 CA ALA A 74 7.060 4.431 8.052 1.00 0.00 C ATOM 1092 C ALA A 74 5.917 4.492 9.059 1.00 0.00 C ATOM 1093 O ALA A 74 5.011 3.658 9.036 1.00 0.00 O ATOM 1094 CB ALA A 74 6.516 4.450 6.631 1.00 0.00 C ATOM 0 H ALA A 74 7.646 2.457 7.660 1.00 0.00 H new ATOM 0 HA ALA A 74 7.688 5.310 8.201 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.904 5.340 6.488 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.346 4.462 5.924 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.908 3.561 6.462 1.00 0.00 H new ATOM 1100 N TYR A 75 5.965 5.483 9.942 1.00 0.00 N ATOM 1101 CA TYR A 75 4.934 5.650 10.960 1.00 0.00 C ATOM 1102 C TYR A 75 4.161 6.948 10.745 1.00 0.00 C ATOM 1103 O TYR A 75 4.564 7.800 9.954 1.00 0.00 O ATOM 1104 CB TYR A 75 5.560 5.642 12.356 1.00 0.00 C ATOM 1105 CG TYR A 75 6.275 4.353 12.691 1.00 0.00 C ATOM 1106 CD1 TYR A 75 7.611 4.168 12.356 1.00 0.00 C ATOM 1107 CD2 TYR A 75 5.615 3.319 13.344 1.00 0.00 C ATOM 1108 CE1 TYR A 75 8.267 2.991 12.660 1.00 0.00 C ATOM 1109 CE2 TYR A 75 6.264 2.140 13.654 1.00 0.00 C ATOM 1110 CZ TYR A 75 7.590 1.980 13.309 1.00 0.00 C ATOM 1111 OH TYR A 75 8.241 0.807 13.615 1.00 0.00 O ATOM 0 H TYR A 75 6.706 6.183 9.974 1.00 0.00 H new ATOM 0 HA TYR A 75 4.238 4.815 10.876 1.00 0.00 H new ATOM 0 HB2 TYR A 75 6.265 6.470 12.434 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.779 5.818 13.096 1.00 0.00 H new ATOM 0 HD1 TYR A 75 8.145 4.958 11.849 1.00 0.00 H new ATOM 0 HD2 TYR A 75 4.576 3.440 13.614 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.305 2.863 12.391 1.00 0.00 H new ATOM 0 HE2 TYR A 75 5.736 1.348 14.164 1.00 0.00 H new ATOM 0 HH TYR A 75 7.623 0.199 14.072 1.00 0.00 H new ATOM 1121 N GLY A 76 3.047 7.091 11.456 1.00 0.00 N ATOM 1122 CA GLY A 76 2.234 8.286 11.330 1.00 0.00 C ATOM 1123 C GLY A 76 1.607 8.419 9.956 1.00 0.00 C ATOM 1124 O GLY A 76 0.727 7.640 9.592 1.00 0.00 O ATOM 0 H GLY A 76 2.693 6.400 12.117 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.448 8.268 12.085 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.849 9.163 11.532 1.00 0.00 H new ATOM 1128 N GLU A 77 2.060 9.409 9.193 1.00 0.00 N ATOM 1129 CA GLU A 77 1.534 9.641 7.853 1.00 0.00 C ATOM 1130 C GLU A 77 2.208 8.724 6.838 1.00 0.00 C ATOM 1131 O GLU A 77 3.294 9.022 6.339 1.00 0.00 O ATOM 1132 CB GLU A 77 1.735 11.103 7.449 1.00 0.00 C ATOM 1133 CG GLU A 77 0.762 11.580 6.384 1.00 0.00 C ATOM 1134 CD GLU A 77 1.108 12.957 5.851 1.00 0.00 C ATOM 1135 OE1 GLU A 77 1.495 13.825 6.661 1.00 0.00 O ATOM 1136 OE2 GLU A 77 0.991 13.166 4.626 1.00 0.00 O ATOM 0 H GLU A 77 2.789 10.062 9.480 1.00 0.00 H new ATOM 0 HA GLU A 77 0.467 9.418 7.865 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.631 11.733 8.333 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.753 11.233 7.083 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.754 10.867 5.559 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.245 11.598 6.800 1.00 0.00 H new ATOM 1143 N VAL A 78 1.557 7.605 6.536 1.00 0.00 N ATOM 1144 CA VAL A 78 2.092 6.643 5.580 1.00 0.00 C ATOM 1145 C VAL A 78 1.392 6.761 4.231 1.00 0.00 C ATOM 1146 O VAL A 78 0.167 6.667 4.145 1.00 0.00 O ATOM 1147 CB VAL A 78 1.948 5.199 6.096 1.00 0.00 C ATOM 1148 CG1 VAL A 78 2.366 4.204 5.023 1.00 0.00 C ATOM 1149 CG2 VAL A 78 2.766 5.003 7.364 1.00 0.00 C ATOM 0 H VAL A 78 0.658 7.342 6.940 1.00 0.00 H new ATOM 0 HA VAL A 78 3.150 6.874 5.458 1.00 0.00 H new ATOM 0 HB VAL A 78 0.900 5.020 6.335 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.258 3.189 5.406 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.734 4.330 4.144 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.406 4.379 4.750 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.653 3.977 7.715 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.817 5.201 7.153 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.415 5.691 8.133 1.00 0.00 H new ATOM 1159 N HIS A 79 2.177 6.967 3.178 1.00 0.00 N ATOM 1160 CA HIS A 79 1.632 7.097 1.832 1.00 0.00 C ATOM 1161 C HIS A 79 1.814 5.803 1.045 1.00 0.00 C ATOM 1162 O HIS A 79 2.927 5.459 0.645 1.00 0.00 O ATOM 1163 CB HIS A 79 2.308 8.255 1.095 1.00 0.00 C ATOM 1164 CG HIS A 79 2.208 9.563 1.817 1.00 0.00 C ATOM 1165 ND1 HIS A 79 1.942 10.756 1.179 1.00 0.00 N ATOM 1166 CD2 HIS A 79 2.340 9.862 3.130 1.00 0.00 C ATOM 1167 CE1 HIS A 79 1.916 11.733 2.068 1.00 0.00 C ATOM 1168 NE2 HIS A 79 2.154 11.216 3.260 1.00 0.00 N ATOM 0 H HIS A 79 3.192 7.047 3.231 1.00 0.00 H new ATOM 0 HA HIS A 79 0.565 7.303 1.917 1.00 0.00 H new ATOM 0 HB2 HIS A 79 3.360 8.013 0.942 1.00 0.00 H new ATOM 0 HB3 HIS A 79 1.858 8.359 0.108 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.552 9.165 3.927 1.00 0.00 H new ATOM 0 HE1 HIS A 79 1.732 12.776 1.856 1.00 0.00 H new ATOM 0 HE2 HIS A 79 2.193 11.738 4.135 1.00 0.00 H new ATOM 1176 N ILE A 80 0.714 5.090 0.827 1.00 0.00 N ATOM 1177 CA ILE A 80 0.753 3.834 0.088 1.00 0.00 C ATOM 1178 C ILE A 80 0.103 3.983 -1.284 1.00 0.00 C ATOM 1179 O ILE A 80 -1.102 4.209 -1.391 1.00 0.00 O ATOM 1180 CB ILE A 80 0.044 2.705 0.859 1.00 0.00 C ATOM 1181 CG1 ILE A 80 0.817 2.367 2.136 1.00 0.00 C ATOM 1182 CG2 ILE A 80 -0.100 1.472 -0.021 1.00 0.00 C ATOM 1183 CD1 ILE A 80 -0.048 1.773 3.225 1.00 0.00 C ATOM 0 H ILE A 80 -0.214 5.360 1.151 1.00 0.00 H new ATOM 0 HA ILE A 80 1.804 3.574 -0.037 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.953 3.046 1.139 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.615 1.665 1.893 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.293 3.272 2.514 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.603 0.683 0.538 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.688 1.722 -0.904 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.887 1.127 -0.328 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.565 1.558 4.100 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.830 2.482 3.495 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.503 0.850 2.865 1.00 0.00 H new ATOM 1195 N LYS A 81 0.910 3.854 -2.332 1.00 0.00 N ATOM 1196 CA LYS A 81 0.415 3.971 -3.698 1.00 0.00 C ATOM 1197 C LYS A 81 -0.049 2.617 -4.226 1.00 0.00 C ATOM 1198 O LYS A 81 0.764 1.737 -4.510 1.00 0.00 O ATOM 1199 CB LYS A 81 1.504 4.539 -4.610 1.00 0.00 C ATOM 1200 CG LYS A 81 0.960 5.314 -5.798 1.00 0.00 C ATOM 1201 CD LYS A 81 1.997 6.271 -6.362 1.00 0.00 C ATOM 1202 CE LYS A 81 1.347 7.378 -7.178 1.00 0.00 C ATOM 1203 NZ LYS A 81 2.359 8.217 -7.879 1.00 0.00 N ATOM 0 H LYS A 81 1.910 3.668 -2.261 1.00 0.00 H new ATOM 0 HA LYS A 81 -0.437 4.651 -3.692 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.151 5.193 -4.025 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.124 3.720 -4.974 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.646 4.617 -6.575 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.075 5.873 -5.494 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.572 6.709 -5.546 1.00 0.00 H new ATOM 0 HD3 LYS A 81 2.700 5.721 -6.988 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.669 6.939 -7.910 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.745 8.007 -6.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 1.877 8.960 -8.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 2.991 8.656 -7.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 2.917 7.622 -8.524 1.00 0.00 H new ATOM 1217 N THR A 82 -1.363 2.457 -4.358 1.00 0.00 N ATOM 1218 CA THR A 82 -1.935 1.211 -4.852 1.00 0.00 C ATOM 1219 C THR A 82 -2.281 1.315 -6.333 1.00 0.00 C ATOM 1220 O THR A 82 -2.604 2.393 -6.831 1.00 0.00 O ATOM 1221 CB THR A 82 -3.202 0.824 -4.067 1.00 0.00 C ATOM 1222 OG1 THR A 82 -4.022 1.980 -3.860 1.00 0.00 O ATOM 1223 CG2 THR A 82 -2.839 0.207 -2.725 1.00 0.00 C ATOM 0 H THR A 82 -2.050 3.175 -4.129 1.00 0.00 H new ATOM 0 HA THR A 82 -1.179 0.438 -4.711 1.00 0.00 H new ATOM 0 HB THR A 82 -3.754 0.087 -4.651 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.863 2.627 -4.579 1.00 0.00 H new ATOM 0 HG21 THR A 82 -3.750 -0.058 -2.188 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.239 -0.689 -2.887 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.268 0.925 -2.137 1.00 0.00 H new ATOM 1231 N MET A 83 -2.212 0.186 -7.033 1.00 0.00 N ATOM 1232 CA MET A 83 -2.520 0.151 -8.458 1.00 0.00 C ATOM 1233 C MET A 83 -2.945 -1.250 -8.887 1.00 0.00 C ATOM 1234 O MET A 83 -2.381 -2.255 -8.455 1.00 0.00 O ATOM 1235 CB MET A 83 -1.307 0.601 -9.275 1.00 0.00 C ATOM 1236 CG MET A 83 -1.667 1.132 -10.653 1.00 0.00 C ATOM 1237 SD MET A 83 -0.268 1.908 -11.485 1.00 0.00 S ATOM 1238 CE MET A 83 -1.086 2.669 -12.885 1.00 0.00 C ATOM 0 H MET A 83 -1.946 -0.715 -6.636 1.00 0.00 H new ATOM 0 HA MET A 83 -3.348 0.836 -8.643 1.00 0.00 H new ATOM 0 HB2 MET A 83 -0.775 1.376 -8.723 1.00 0.00 H new ATOM 0 HB3 MET A 83 -0.622 -0.239 -9.386 1.00 0.00 H new ATOM 0 HG2 MET A 83 -2.042 0.313 -11.267 1.00 0.00 H new ATOM 0 HG3 MET A 83 -2.476 1.856 -10.559 1.00 0.00 H new ATOM 0 HE1 MET A 83 -0.384 3.319 -13.407 1.00 0.00 H new ATOM 0 HE2 MET A 83 -1.438 1.894 -13.566 1.00 0.00 H new ATOM 0 HE3 MET A 83 -1.934 3.258 -12.535 1.00 0.00 H new ATOM 1248 N PRO A 84 -3.964 -1.319 -9.757 1.00 0.00 N ATOM 1249 CA PRO A 84 -4.487 -2.591 -10.263 1.00 0.00 C ATOM 1250 C PRO A 84 -3.508 -3.287 -11.203 1.00 0.00 C ATOM 1251 O PRO A 84 -3.206 -2.783 -12.284 1.00 0.00 O ATOM 1252 CB PRO A 84 -5.753 -2.179 -11.019 1.00 0.00 C ATOM 1253 CG PRO A 84 -5.514 -0.762 -11.413 1.00 0.00 C ATOM 1254 CD PRO A 84 -4.683 -0.161 -10.313 1.00 0.00 C ATOM 0 HA PRO A 84 -4.667 -3.306 -9.460 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -5.916 -2.811 -11.892 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -6.638 -2.271 -10.389 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -4.995 -0.705 -12.370 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -6.455 -0.225 -11.529 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -3.995 0.593 -10.695 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -5.304 0.326 -9.561 1.00 0.00 H new ATOM 1262 N ALA A 85 -3.017 -4.449 -10.784 1.00 0.00 N ATOM 1263 CA ALA A 85 -2.074 -5.215 -11.590 1.00 0.00 C ATOM 1264 C ALA A 85 -2.479 -5.211 -13.060 1.00 0.00 C ATOM 1265 O ALA A 85 -1.634 -5.078 -13.945 1.00 0.00 O ATOM 1266 CB ALA A 85 -1.975 -6.642 -11.071 1.00 0.00 C ATOM 0 H ALA A 85 -3.257 -4.880 -9.891 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.095 -4.742 -11.509 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.268 -7.203 -11.682 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.632 -6.630 -10.037 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.955 -7.117 -11.122 1.00 0.00 H new ATOM 1272 N ALA A 86 -3.775 -5.357 -13.312 1.00 0.00 N ATOM 1273 CA ALA A 86 -4.291 -5.369 -14.675 1.00 0.00 C ATOM 1274 C ALA A 86 -3.840 -4.131 -15.444 1.00 0.00 C ATOM 1275 O ALA A 86 -3.093 -4.230 -16.418 1.00 0.00 O ATOM 1276 CB ALA A 86 -5.810 -5.461 -14.664 1.00 0.00 C ATOM 0 H ALA A 86 -4.487 -5.469 -12.590 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.888 -6.246 -15.181 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.181 -5.469 -15.689 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.115 -6.378 -14.160 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.223 -4.602 -14.135 1.00 0.00 H new ATOM 1282 N THR A 87 -4.299 -2.965 -15.001 1.00 0.00 N ATOM 1283 CA THR A 87 -3.944 -1.708 -15.648 1.00 0.00 C ATOM 1284 C THR A 87 -2.432 -1.548 -15.745 1.00 0.00 C ATOM 1285 O THR A 87 -1.881 -1.410 -16.837 1.00 0.00 O ATOM 1286 CB THR A 87 -4.530 -0.502 -14.890 1.00 0.00 C ATOM 1287 OG1 THR A 87 -5.873 -0.784 -14.482 1.00 0.00 O ATOM 1288 CG2 THR A 87 -4.511 0.745 -15.762 1.00 0.00 C ATOM 0 H THR A 87 -4.918 -2.865 -14.196 1.00 0.00 H new ATOM 0 HA THR A 87 -4.368 -1.738 -16.652 1.00 0.00 H new ATOM 0 HB THR A 87 -3.914 -0.321 -14.009 1.00 0.00 H new ATOM 0 HG1 THR A 87 -6.237 -0.013 -13.999 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.929 1.584 -15.206 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.484 0.974 -16.047 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.106 0.571 -16.659 1.00 0.00 H new ATOM 1296 N TYR A 88 -1.765 -1.567 -14.596 1.00 0.00 N ATOM 1297 CA TYR A 88 -0.314 -1.422 -14.552 1.00 0.00 C ATOM 1298 C TYR A 88 0.349 -2.244 -15.652 1.00 0.00 C ATOM 1299 O TYR A 88 1.024 -1.702 -16.527 1.00 0.00 O ATOM 1300 CB TYR A 88 0.221 -1.852 -13.185 1.00 0.00 C ATOM 1301 CG TYR A 88 1.561 -1.243 -12.841 1.00 0.00 C ATOM 1302 CD1 TYR A 88 1.804 0.110 -13.043 1.00 0.00 C ATOM 1303 CD2 TYR A 88 2.585 -2.021 -12.315 1.00 0.00 C ATOM 1304 CE1 TYR A 88 3.027 0.671 -12.731 1.00 0.00 C ATOM 1305 CE2 TYR A 88 3.811 -1.468 -11.998 1.00 0.00 C ATOM 1306 CZ TYR A 88 4.028 -0.122 -12.208 1.00 0.00 C ATOM 1307 OH TYR A 88 5.248 0.432 -11.896 1.00 0.00 O ATOM 0 H TYR A 88 -2.205 -1.681 -13.683 1.00 0.00 H new ATOM 0 HA TYR A 88 -0.074 -0.371 -14.714 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.502 -1.575 -12.418 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.309 -2.938 -13.164 1.00 0.00 H new ATOM 0 HD1 TYR A 88 1.023 0.734 -13.451 1.00 0.00 H new ATOM 0 HD2 TYR A 88 2.420 -3.076 -12.151 1.00 0.00 H new ATOM 0 HE1 TYR A 88 3.199 1.724 -12.895 1.00 0.00 H new ATOM 0 HE2 TYR A 88 4.596 -2.087 -11.588 1.00 0.00 H new ATOM 0 HH TYR A 88 5.649 -0.060 -11.149 1.00 0.00 H new ATOM 1317 N ARG A 89 0.152 -3.558 -15.601 1.00 0.00 N ATOM 1318 CA ARG A 89 0.731 -4.457 -16.592 1.00 0.00 C ATOM 1319 C ARG A 89 0.419 -3.980 -18.007 1.00 0.00 C ATOM 1320 O ARG A 89 1.323 -3.775 -18.818 1.00 0.00 O ATOM 1321 CB ARG A 89 0.202 -5.878 -16.393 1.00 0.00 C ATOM 1322 CG ARG A 89 0.807 -6.591 -15.195 1.00 0.00 C ATOM 1323 CD ARG A 89 2.152 -7.213 -15.537 1.00 0.00 C ATOM 1324 NE ARG A 89 3.258 -6.287 -15.305 1.00 0.00 N ATOM 1325 CZ ARG A 89 4.537 -6.634 -15.389 1.00 0.00 C ATOM 1326 NH1 ARG A 89 4.871 -7.880 -15.699 1.00 0.00 N ATOM 1327 NH2 ARG A 89 5.486 -5.735 -15.163 1.00 0.00 N ATOM 0 H ARG A 89 -0.404 -4.023 -14.884 1.00 0.00 H new ATOM 0 HA ARG A 89 1.813 -4.457 -16.458 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.881 -5.840 -16.274 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.404 -6.461 -17.292 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.930 -5.885 -14.374 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.124 -7.367 -14.849 1.00 0.00 H new ATOM 0 HD2 ARG A 89 2.299 -8.111 -14.937 1.00 0.00 H new ATOM 0 HD3 ARG A 89 2.153 -7.524 -16.582 1.00 0.00 H new ATOM 0 HE ARG A 89 3.035 -5.321 -15.065 1.00 0.00 H new ATOM 0 HH11 ARG A 89 4.144 -8.574 -15.874 1.00 0.00 H new ATOM 0 HH12 ARG A 89 5.854 -8.144 -15.763 1.00 0.00 H new ATOM 0 HH21 ARG A 89 5.234 -4.776 -14.924 1.00 0.00 H new ATOM 0 HH22 ARG A 89 6.468 -6.003 -15.228 1.00 0.00 H new ATOM 1341 N LEU A 90 -0.866 -3.805 -18.297 1.00 0.00 N ATOM 1342 CA LEU A 90 -1.298 -3.353 -19.614 1.00 0.00 C ATOM 1343 C LEU A 90 -0.563 -2.079 -20.021 1.00 0.00 C ATOM 1344 O LEU A 90 -0.210 -1.899 -21.187 1.00 0.00 O ATOM 1345 CB LEU A 90 -2.808 -3.108 -19.621 1.00 0.00 C ATOM 1346 CG LEU A 90 -3.691 -4.356 -19.578 1.00 0.00 C ATOM 1347 CD1 LEU A 90 -5.131 -3.981 -19.268 1.00 0.00 C ATOM 1348 CD2 LEU A 90 -3.607 -5.115 -20.894 1.00 0.00 C ATOM 0 H LEU A 90 -1.626 -3.969 -17.637 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.059 -4.135 -20.335 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.058 -2.481 -18.765 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.060 -2.540 -20.517 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.328 -5.007 -18.783 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.744 -4.882 -19.242 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.177 -3.482 -18.300 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.506 -3.309 -20.040 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.242 -6.000 -20.845 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.943 -4.472 -21.707 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.576 -5.418 -21.074 1.00 0.00 H new ATOM 1360 N LEU A 91 -0.334 -1.200 -19.052 1.00 0.00 N ATOM 1361 CA LEU A 91 0.361 0.057 -19.308 1.00 0.00 C ATOM 1362 C LEU A 91 1.816 -0.195 -19.692 1.00 0.00 C ATOM 1363 O LEU A 91 2.302 0.319 -20.700 1.00 0.00 O ATOM 1364 CB LEU A 91 0.296 0.959 -18.075 1.00 0.00 C ATOM 1365 CG LEU A 91 -1.104 1.385 -17.629 1.00 0.00 C ATOM 1366 CD1 LEU A 91 -1.138 1.614 -16.126 1.00 0.00 C ATOM 1367 CD2 LEU A 91 -1.542 2.639 -18.371 1.00 0.00 C ATOM 0 H LEU A 91 -0.619 -1.334 -18.082 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.135 0.555 -20.141 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.778 0.442 -17.245 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.881 1.857 -18.275 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.801 0.582 -17.870 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.142 1.916 -15.827 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.868 0.692 -15.611 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.429 2.398 -15.861 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.540 2.927 -18.041 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.843 3.449 -18.162 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.557 2.441 -19.443 1.00 0.00 H new ATOM 1379 N THR A 92 2.508 -0.990 -18.881 1.00 0.00 N ATOM 1380 CA THR A 92 3.906 -1.311 -19.136 1.00 0.00 C ATOM 1381 C THR A 92 4.036 -2.565 -19.993 1.00 0.00 C ATOM 1382 O THR A 92 5.059 -3.247 -19.961 1.00 0.00 O ATOM 1383 CB THR A 92 4.683 -1.518 -17.822 1.00 0.00 C ATOM 1384 OG1 THR A 92 6.064 -1.773 -18.104 1.00 0.00 O ATOM 1385 CG2 THR A 92 4.101 -2.676 -17.026 1.00 0.00 C ATOM 0 H THR A 92 2.122 -1.423 -18.042 1.00 0.00 H new ATOM 0 HA THR A 92 4.332 -0.463 -19.672 1.00 0.00 H new ATOM 0 HB THR A 92 4.596 -0.609 -17.227 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.138 -2.545 -18.703 1.00 0.00 H new ATOM 0 HG21 THR A 92 4.666 -2.803 -16.103 1.00 0.00 H new ATOM 0 HG22 THR A 92 3.058 -2.466 -16.788 1.00 0.00 H new ATOM 0 HG23 THR A 92 4.161 -3.590 -17.617 1.00 0.00 H new ATOM 1393 N GLY A 93 2.991 -2.864 -20.759 1.00 0.00 N ATOM 1394 CA GLY A 93 3.009 -4.036 -21.614 1.00 0.00 C ATOM 1395 C GLY A 93 3.588 -3.745 -22.984 1.00 0.00 C ATOM 1396 O GLY A 93 4.377 -4.530 -23.510 1.00 0.00 O ATOM 0 H GLY A 93 2.132 -2.315 -20.802 1.00 0.00 H new ATOM 0 HA2 GLY A 93 3.593 -4.822 -21.136 1.00 0.00 H new ATOM 0 HA3 GLY A 93 1.994 -4.416 -21.725 1.00 0.00 H new ATOM 1400 N GLN A 94 3.194 -2.616 -23.564 1.00 0.00 N ATOM 1401 CA GLN A 94 3.679 -2.225 -24.883 1.00 0.00 C ATOM 1402 C GLN A 94 5.203 -2.234 -24.927 1.00 0.00 C ATOM 1403 O GLN A 94 5.806 -1.941 -25.960 1.00 0.00 O ATOM 1404 CB GLN A 94 3.154 -0.837 -25.251 1.00 0.00 C ATOM 1405 CG GLN A 94 3.835 0.292 -24.495 1.00 0.00 C ATOM 1406 CD GLN A 94 3.840 1.595 -25.270 1.00 0.00 C ATOM 1407 OE1 GLN A 94 4.083 1.612 -26.477 1.00 0.00 O ATOM 1408 NE2 GLN A 94 3.570 2.696 -24.579 1.00 0.00 N ATOM 0 H GLN A 94 2.541 -1.956 -23.142 1.00 0.00 H new ATOM 0 HA GLN A 94 3.309 -2.950 -25.608 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.288 -0.679 -26.321 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.082 -0.799 -25.055 1.00 0.00 H new ATOM 0 HG2 GLN A 94 3.328 0.443 -23.542 1.00 0.00 H new ATOM 0 HG3 GLN A 94 4.862 0.005 -24.268 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.374 2.636 -23.580 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.558 3.602 -25.047 1.00 0.00 H new TER 1417 GLN A 94