USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 798 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 49 ASN : amide:sc= -0.0464 K(o=0.088,f=-1.3) USER MOD Set 1.2: A 51 HIS : no HE2:sc= 0.134 K(o=0.088,f=-1.5) USER MOD Set 2.1: A 26 ASN : amide:sc= -1.34 K(o=-2.2,f=-3.7!) USER MOD Set 2.2: A 84 ASN : amide:sc= -0.856 K(o=-2.2,f=-7.1!) USER MOD Single : A 1 GLY N :NH3+ -103:sc= 0.0578 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 THR OG1 : rot 38:sc= 0.416 USER MOD Single : A 16 LYS NZ :NH3+ 160:sc= 0.663 (180deg=0.426) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -72:sc= 0.125 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.744 K(o=-0.74,f=-12!) USER MOD Single : A 46 ASN : amide:sc=-0.00059 X(o=-0.00059,f=-0.15) USER MOD Single : A 47 THR OG1 : rot 44:sc= -0.759 USER MOD Single : A 56 ASN : amide:sc= -0.0545 X(o=-0.054,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.214 USER MOD Single : A 66 THR OG1 : rot -55:sc= 1.53 USER MOD Single : A 67 ASN : amide:sc= -0.288 K(o=-0.29,f=-7.5!) USER MOD Single : A 70 ASN : amide:sc= -0.276 K(o=-0.28,f=-3.6!) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 75 SER OG : rot -150:sc= -0.426 USER MOD Single : A 79 GLN : amide:sc=-0.00202 K(o=-0.002,f=-0.89) USER MOD Single : A 93 HIS : no HE2:sc= -1.13 K(o=-1.1,f=-2.4!) USER MOD Single : A 94 HIS : no HE2:sc=-0.00451 K(o=-0.0045,f=-0.69) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=-0.0075) USER MOD Single : A 96 HIS : no HE2:sc= -0.0878 K(o=-0.088,f=-0.88) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.759 26.708 -38.671 1.00 0.00 N ATOM 2 CA GLY A 1 -15.256 25.535 -37.907 1.00 0.00 C ATOM 3 C GLY A 1 -16.431 25.882 -37.005 1.00 0.00 C ATOM 4 O GLY A 1 -16.628 27.058 -36.666 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.095 26.650 -39.654 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.115 27.582 -38.235 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.719 26.714 -38.660 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.556 24.752 -38.604 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.445 25.130 -37.302 1.00 0.00 H new ATOM 10 N ASP A 2 -17.228 24.855 -36.628 1.00 0.00 N ATOM 11 CA ASP A 2 -18.343 24.995 -35.675 1.00 0.00 C ATOM 12 C ASP A 2 -17.774 25.237 -34.261 1.00 0.00 C ATOM 13 O ASP A 2 -17.333 24.294 -33.591 1.00 0.00 O ATOM 14 CB ASP A 2 -19.245 23.726 -35.709 1.00 0.00 C ATOM 15 CG ASP A 2 -20.497 23.841 -34.808 1.00 0.00 C ATOM 16 OD1 ASP A 2 -20.422 23.505 -33.601 1.00 0.00 O ATOM 17 OD2 ASP A 2 -21.558 24.292 -35.297 1.00 0.00 O ATOM 0 H ASP A 2 -17.112 23.905 -36.980 1.00 0.00 H new ATOM 0 HA ASP A 2 -18.961 25.848 -35.955 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -19.561 23.540 -36.736 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -18.658 22.863 -35.395 1.00 0.00 H new ATOM 22 N ARG A 3 -17.744 26.511 -33.844 1.00 0.00 N ATOM 23 CA ARG A 3 -17.161 26.917 -32.552 1.00 0.00 C ATOM 24 C ARG A 3 -18.210 26.872 -31.436 1.00 0.00 C ATOM 25 O ARG A 3 -19.223 27.576 -31.510 1.00 0.00 O ATOM 26 CB ARG A 3 -16.560 28.348 -32.641 1.00 0.00 C ATOM 27 CG ARG A 3 -15.408 28.515 -33.652 1.00 0.00 C ATOM 28 CD ARG A 3 -14.282 27.496 -33.433 1.00 0.00 C ATOM 29 NE ARG A 3 -13.797 27.475 -32.037 1.00 0.00 N ATOM 30 CZ ARG A 3 -12.753 26.756 -31.598 1.00 0.00 C ATOM 31 NH1 ARG A 3 -11.994 26.061 -32.438 1.00 0.00 N ATOM 32 NH2 ARG A 3 -12.465 26.746 -30.309 1.00 0.00 N ATOM 0 H ARG A 3 -18.121 27.287 -34.388 1.00 0.00 H new ATOM 0 HA ARG A 3 -16.365 26.210 -32.317 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -17.357 29.044 -32.904 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.200 28.635 -31.653 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -15.799 28.408 -34.664 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -15.002 29.523 -33.572 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -14.638 26.502 -33.705 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -13.451 27.730 -34.099 1.00 0.00 H new ATOM 0 HE ARG A 3 -14.293 28.050 -31.356 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -12.201 26.068 -33.437 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -11.205 25.521 -32.084 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -13.035 27.283 -29.655 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -11.673 26.202 -29.968 1.00 0.00 H new ATOM 46 N ARG A 4 -17.951 26.058 -30.401 1.00 0.00 N ATOM 47 CA ARG A 4 -18.776 25.996 -29.184 1.00 0.00 C ATOM 48 C ARG A 4 -17.930 25.438 -28.028 1.00 0.00 C ATOM 49 O ARG A 4 -17.088 24.553 -28.235 1.00 0.00 O ATOM 50 CB ARG A 4 -20.053 25.134 -29.401 1.00 0.00 C ATOM 51 CG ARG A 4 -19.791 23.643 -29.720 1.00 0.00 C ATOM 52 CD ARG A 4 -21.084 22.826 -29.801 1.00 0.00 C ATOM 53 NE ARG A 4 -20.816 21.387 -29.976 1.00 0.00 N ATOM 54 CZ ARG A 4 -21.610 20.393 -29.533 1.00 0.00 C ATOM 55 NH1 ARG A 4 -22.712 20.648 -28.831 1.00 0.00 N ATOM 56 NH2 ARG A 4 -21.285 19.130 -29.790 1.00 0.00 N ATOM 0 H ARG A 4 -17.156 25.419 -30.385 1.00 0.00 H new ATOM 0 HA ARG A 4 -19.110 27.004 -28.937 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -20.670 25.195 -28.505 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -20.631 25.568 -30.217 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -19.256 23.566 -30.666 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -19.144 23.219 -28.952 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -21.667 22.979 -28.893 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -21.689 23.186 -30.633 1.00 0.00 H new ATOM 0 HE ARG A 4 -19.964 21.124 -30.471 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -22.970 21.612 -28.619 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -23.299 19.880 -28.506 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -20.439 18.919 -30.319 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -21.881 18.372 -29.458 1.00 0.00 H new ATOM 70 N VAL A 5 -18.120 25.997 -26.825 1.00 0.00 N ATOM 71 CA VAL A 5 -17.442 25.530 -25.601 1.00 0.00 C ATOM 72 C VAL A 5 -18.405 24.638 -24.808 1.00 0.00 C ATOM 73 O VAL A 5 -19.540 25.044 -24.534 1.00 0.00 O ATOM 74 CB VAL A 5 -16.958 26.737 -24.704 1.00 0.00 C ATOM 75 CG1 VAL A 5 -16.192 26.245 -23.456 1.00 0.00 C ATOM 76 CG2 VAL A 5 -16.099 27.731 -25.523 1.00 0.00 C ATOM 0 H VAL A 5 -18.748 26.786 -26.670 1.00 0.00 H new ATOM 0 HA VAL A 5 -16.556 24.964 -25.890 1.00 0.00 H new ATOM 0 HB VAL A 5 -17.848 27.263 -24.359 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -15.874 27.102 -22.863 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -16.844 25.610 -22.856 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -15.317 25.675 -23.768 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -15.780 28.551 -24.880 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -15.223 27.216 -25.916 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -16.689 28.126 -26.350 1.00 0.00 H new ATOM 86 N ARG A 6 -17.945 23.428 -24.454 1.00 0.00 N ATOM 87 CA ARG A 6 -18.734 22.460 -23.682 1.00 0.00 C ATOM 88 C ARG A 6 -17.784 21.558 -22.877 1.00 0.00 C ATOM 89 O ARG A 6 -17.300 20.529 -23.372 1.00 0.00 O ATOM 90 CB ARG A 6 -19.663 21.642 -24.618 1.00 0.00 C ATOM 91 CG ARG A 6 -20.592 20.638 -23.892 1.00 0.00 C ATOM 92 CD ARG A 6 -21.692 20.080 -24.812 1.00 0.00 C ATOM 93 NE ARG A 6 -22.609 21.138 -25.282 1.00 0.00 N ATOM 94 CZ ARG A 6 -23.922 20.985 -25.520 1.00 0.00 C ATOM 95 NH1 ARG A 6 -24.509 19.794 -25.423 1.00 0.00 N ATOM 96 NH2 ARG A 6 -24.642 22.036 -25.869 1.00 0.00 N ATOM 0 H ARG A 6 -17.012 23.094 -24.697 1.00 0.00 H new ATOM 0 HA ARG A 6 -19.380 22.987 -22.980 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -20.278 22.335 -25.193 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -19.047 21.095 -25.332 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -19.996 19.813 -23.502 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -21.054 21.129 -23.036 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -21.233 19.590 -25.671 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -22.260 19.319 -24.277 1.00 0.00 H new ATOM 0 HE ARG A 6 -22.211 22.064 -25.439 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -23.960 18.974 -25.163 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -25.508 19.701 -25.608 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -24.200 22.951 -25.955 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -25.640 21.932 -26.052 1.00 0.00 H new ATOM 110 N LEU A 7 -17.479 21.994 -21.652 1.00 0.00 N ATOM 111 CA LEU A 7 -16.598 21.271 -20.730 1.00 0.00 C ATOM 112 C LEU A 7 -17.397 20.163 -20.015 1.00 0.00 C ATOM 113 O LEU A 7 -18.045 20.411 -18.989 1.00 0.00 O ATOM 114 CB LEU A 7 -15.966 22.276 -19.720 1.00 0.00 C ATOM 115 CG LEU A 7 -15.157 23.458 -20.356 1.00 0.00 C ATOM 116 CD1 LEU A 7 -14.657 24.449 -19.280 1.00 0.00 C ATOM 117 CD2 LEU A 7 -13.983 22.931 -21.215 1.00 0.00 C ATOM 0 H LEU A 7 -17.840 22.867 -21.268 1.00 0.00 H new ATOM 0 HA LEU A 7 -15.786 20.794 -21.279 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -16.763 22.694 -19.105 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -15.304 21.724 -19.052 1.00 0.00 H new ATOM 0 HG LEU A 7 -15.836 24.003 -21.012 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -14.100 25.255 -19.758 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -15.510 24.865 -18.744 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -14.007 23.926 -18.578 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -13.439 23.773 -21.644 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -13.310 22.345 -20.590 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -14.372 22.304 -22.017 1.00 0.00 H new ATOM 129 N ILE A 8 -17.392 18.957 -20.611 1.00 0.00 N ATOM 130 CA ILE A 8 -18.107 17.784 -20.075 1.00 0.00 C ATOM 131 C ILE A 8 -17.436 17.300 -18.758 1.00 0.00 C ATOM 132 O ILE A 8 -16.203 17.199 -18.661 1.00 0.00 O ATOM 133 CB ILE A 8 -18.189 16.617 -21.149 1.00 0.00 C ATOM 134 CG1 ILE A 8 -19.015 15.390 -20.630 1.00 0.00 C ATOM 135 CG2 ILE A 8 -16.788 16.166 -21.612 1.00 0.00 C ATOM 136 CD1 ILE A 8 -20.484 15.676 -20.364 1.00 0.00 C ATOM 0 H ILE A 8 -16.891 18.768 -21.479 1.00 0.00 H new ATOM 0 HA ILE A 8 -19.131 18.081 -19.847 1.00 0.00 H new ATOM 0 HB ILE A 8 -18.715 17.031 -22.009 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -18.943 14.586 -21.362 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -18.558 15.025 -19.710 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -16.887 15.367 -22.346 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -16.265 17.009 -22.062 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -16.221 15.803 -20.755 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -20.973 14.769 -20.009 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -20.572 16.456 -19.607 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -20.962 16.009 -21.285 1.00 0.00 H new ATOM 148 N ARG A 9 -18.269 17.030 -17.743 1.00 0.00 N ATOM 149 CA ARG A 9 -17.824 16.629 -16.404 1.00 0.00 C ATOM 150 C ARG A 9 -18.876 15.683 -15.807 1.00 0.00 C ATOM 151 O ARG A 9 -19.815 16.116 -15.127 1.00 0.00 O ATOM 152 CB ARG A 9 -17.599 17.890 -15.513 1.00 0.00 C ATOM 153 CG ARG A 9 -17.069 17.615 -14.081 1.00 0.00 C ATOM 154 CD ARG A 9 -15.676 16.959 -14.069 1.00 0.00 C ATOM 155 NE ARG A 9 -15.136 16.866 -12.700 1.00 0.00 N ATOM 156 CZ ARG A 9 -14.110 16.088 -12.310 1.00 0.00 C ATOM 157 NH1 ARG A 9 -13.539 15.227 -13.156 1.00 0.00 N ATOM 158 NH2 ARG A 9 -13.679 16.142 -11.052 1.00 0.00 N ATOM 0 H ARG A 9 -19.284 17.085 -17.832 1.00 0.00 H new ATOM 0 HA ARG A 9 -16.871 16.103 -16.457 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -16.896 18.550 -16.021 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -18.543 18.430 -15.434 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -17.027 18.554 -13.529 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -17.773 16.969 -13.557 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -15.738 15.962 -14.506 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -14.994 17.538 -14.692 1.00 0.00 H new ATOM 0 HE ARG A 9 -15.580 17.443 -11.985 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -13.880 15.152 -14.114 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -12.762 14.645 -12.844 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -14.126 16.772 -10.386 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.901 15.553 -10.754 1.00 0.00 H new ATOM 172 N THR A 10 -18.743 14.392 -16.140 1.00 0.00 N ATOM 173 CA THR A 10 -19.660 13.340 -15.692 1.00 0.00 C ATOM 174 C THR A 10 -19.084 12.656 -14.441 1.00 0.00 C ATOM 175 O THR A 10 -18.266 11.729 -14.549 1.00 0.00 O ATOM 176 CB THR A 10 -19.883 12.304 -16.843 1.00 0.00 C ATOM 177 OG1 THR A 10 -20.219 13.008 -18.048 1.00 0.00 O ATOM 178 CG2 THR A 10 -20.997 11.289 -16.525 1.00 0.00 C ATOM 0 H THR A 10 -17.988 14.047 -16.733 1.00 0.00 H new ATOM 0 HA THR A 10 -20.625 13.778 -15.436 1.00 0.00 H new ATOM 0 HB THR A 10 -18.956 11.742 -16.960 1.00 0.00 H new ATOM 0 HG1 THR A 10 -20.359 12.365 -18.774 1.00 0.00 H new ATOM 0 HG21 THR A 10 -21.107 10.596 -17.359 1.00 0.00 H new ATOM 0 HG22 THR A 10 -20.737 10.734 -15.624 1.00 0.00 H new ATOM 0 HG23 THR A 10 -21.937 11.818 -16.367 1.00 0.00 H new ATOM 186 N ARG A 11 -19.444 13.192 -13.260 1.00 0.00 N ATOM 187 CA ARG A 11 -19.047 12.631 -11.961 1.00 0.00 C ATOM 188 C ARG A 11 -19.837 11.344 -11.669 1.00 0.00 C ATOM 189 O ARG A 11 -21.066 11.310 -11.818 1.00 0.00 O ATOM 190 CB ARG A 11 -19.248 13.673 -10.824 1.00 0.00 C ATOM 191 CG ARG A 11 -18.227 14.841 -10.801 1.00 0.00 C ATOM 192 CD ARG A 11 -16.803 14.412 -10.374 1.00 0.00 C ATOM 193 NE ARG A 11 -16.079 13.673 -11.432 1.00 0.00 N ATOM 194 CZ ARG A 11 -15.161 12.705 -11.230 1.00 0.00 C ATOM 195 NH1 ARG A 11 -14.882 12.261 -10.011 1.00 0.00 N ATOM 196 NH2 ARG A 11 -14.531 12.177 -12.272 1.00 0.00 N ATOM 0 H ARG A 11 -20.021 14.030 -13.183 1.00 0.00 H new ATOM 0 HA ARG A 11 -17.987 12.381 -12.004 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -20.251 14.092 -10.911 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -19.202 13.154 -9.867 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -18.180 15.290 -11.793 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -18.585 15.612 -10.119 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -16.230 15.298 -10.100 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -16.870 13.787 -9.483 1.00 0.00 H new ATOM 0 HE ARG A 11 -16.293 13.917 -12.399 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -15.365 12.652 -9.203 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.184 11.528 -9.882 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.742 12.504 -13.215 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.835 11.445 -12.130 1.00 0.00 H new ATOM 210 N GLY A 12 -19.105 10.306 -11.257 1.00 0.00 N ATOM 211 CA GLY A 12 -19.663 8.982 -11.024 1.00 0.00 C ATOM 212 C GLY A 12 -18.589 8.011 -10.583 1.00 0.00 C ATOM 213 O GLY A 12 -18.266 7.059 -11.312 1.00 0.00 O ATOM 0 H GLY A 12 -18.103 10.366 -11.076 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -20.441 9.040 -10.263 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -20.136 8.617 -11.936 1.00 0.00 H new ATOM 217 N GLY A 13 -18.005 8.287 -9.397 1.00 0.00 N ATOM 218 CA GLY A 13 -17.036 7.390 -8.764 1.00 0.00 C ATOM 219 C GLY A 13 -17.724 6.130 -8.233 1.00 0.00 C ATOM 220 O GLY A 13 -17.955 5.995 -7.021 1.00 0.00 O ATOM 0 H GLY A 13 -18.196 9.134 -8.861 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -16.266 7.113 -9.484 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -16.535 7.908 -7.946 1.00 0.00 H new ATOM 224 N ASN A 14 -18.069 5.222 -9.162 1.00 0.00 N ATOM 225 CA ASN A 14 -18.929 4.060 -8.898 1.00 0.00 C ATOM 226 C ASN A 14 -18.196 3.021 -8.037 1.00 0.00 C ATOM 227 O ASN A 14 -17.026 2.731 -8.282 1.00 0.00 O ATOM 228 CB ASN A 14 -19.374 3.440 -10.242 1.00 0.00 C ATOM 229 CG ASN A 14 -20.442 2.350 -10.087 1.00 0.00 C ATOM 230 OD1 ASN A 14 -20.131 1.167 -9.934 1.00 0.00 O ATOM 231 ND2 ASN A 14 -21.703 2.732 -10.123 1.00 0.00 N ATOM 0 H ASN A 14 -17.753 5.277 -10.130 1.00 0.00 H new ATOM 0 HA ASN A 14 -19.809 4.386 -8.343 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -19.762 4.229 -10.887 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -18.504 3.017 -10.744 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -22.448 2.042 -10.023 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -21.934 3.717 -10.251 1.00 0.00 H new ATOM 238 N THR A 15 -18.895 2.481 -7.032 1.00 0.00 N ATOM 239 CA THR A 15 -18.373 1.424 -6.159 1.00 0.00 C ATOM 240 C THR A 15 -18.214 0.112 -6.969 1.00 0.00 C ATOM 241 O THR A 15 -19.211 -0.490 -7.381 1.00 0.00 O ATOM 242 CB THR A 15 -19.338 1.216 -4.938 1.00 0.00 C ATOM 243 OG1 THR A 15 -20.673 0.955 -5.406 1.00 0.00 O ATOM 244 CG2 THR A 15 -19.374 2.452 -4.017 1.00 0.00 C ATOM 0 H THR A 15 -19.846 2.768 -6.800 1.00 0.00 H new ATOM 0 HA THR A 15 -17.395 1.715 -5.776 1.00 0.00 H new ATOM 0 HB THR A 15 -18.958 0.368 -4.368 1.00 0.00 H new ATOM 0 HG1 THR A 15 -20.634 0.396 -6.210 1.00 0.00 H new ATOM 0 HG21 THR A 15 -20.053 2.266 -3.185 1.00 0.00 H new ATOM 0 HG22 THR A 15 -18.373 2.648 -3.632 1.00 0.00 H new ATOM 0 HG23 THR A 15 -19.721 3.317 -4.582 1.00 0.00 H new ATOM 252 N LYS A 16 -16.954 -0.297 -7.222 1.00 0.00 N ATOM 253 CA LYS A 16 -16.628 -1.460 -8.089 1.00 0.00 C ATOM 254 C LYS A 16 -16.082 -2.643 -7.266 1.00 0.00 C ATOM 255 O LYS A 16 -15.997 -2.578 -6.036 1.00 0.00 O ATOM 256 CB LYS A 16 -15.610 -1.066 -9.209 1.00 0.00 C ATOM 257 CG LYS A 16 -14.191 -0.643 -8.731 1.00 0.00 C ATOM 258 CD LYS A 16 -14.091 0.836 -8.283 1.00 0.00 C ATOM 259 CE LYS A 16 -14.274 1.826 -9.448 1.00 0.00 C ATOM 260 NZ LYS A 16 -14.298 3.236 -8.972 1.00 0.00 N ATOM 0 H LYS A 16 -16.132 0.165 -6.834 1.00 0.00 H new ATOM 0 HA LYS A 16 -17.557 -1.775 -8.563 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -15.504 -1.912 -9.889 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -16.036 -0.245 -9.786 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -13.892 -1.284 -7.901 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -13.480 -0.816 -9.539 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -14.847 1.033 -7.523 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -13.120 1.005 -7.818 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.464 1.698 -10.166 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -15.203 1.603 -9.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -14.083 3.874 -9.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -15.241 3.459 -8.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.587 3.362 -8.224 1.00 0.00 H new ATOM 274 N VAL A 17 -15.733 -3.727 -7.978 1.00 0.00 N ATOM 275 CA VAL A 17 -15.081 -4.919 -7.412 1.00 0.00 C ATOM 276 C VAL A 17 -13.609 -4.591 -7.056 1.00 0.00 C ATOM 277 O VAL A 17 -13.005 -3.725 -7.692 1.00 0.00 O ATOM 278 CB VAL A 17 -15.186 -6.120 -8.430 1.00 0.00 C ATOM 279 CG1 VAL A 17 -14.366 -5.869 -9.717 1.00 0.00 C ATOM 280 CG2 VAL A 17 -14.825 -7.469 -7.772 1.00 0.00 C ATOM 0 H VAL A 17 -15.899 -3.801 -8.982 1.00 0.00 H new ATOM 0 HA VAL A 17 -15.587 -5.218 -6.494 1.00 0.00 H new ATOM 0 HB VAL A 17 -16.232 -6.182 -8.731 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -14.469 -6.723 -10.387 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -14.734 -4.971 -10.214 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -13.315 -5.736 -9.459 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -14.911 -8.268 -8.509 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -13.802 -7.429 -7.398 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -15.507 -7.664 -6.944 1.00 0.00 H new ATOM 290 N ARG A 18 -13.048 -5.280 -6.042 1.00 0.00 N ATOM 291 CA ARG A 18 -11.735 -4.925 -5.449 1.00 0.00 C ATOM 292 C ARG A 18 -10.561 -5.034 -6.444 1.00 0.00 C ATOM 293 O ARG A 18 -9.992 -4.018 -6.838 1.00 0.00 O ATOM 294 CB ARG A 18 -11.465 -5.796 -4.196 1.00 0.00 C ATOM 295 CG ARG A 18 -12.427 -5.556 -3.014 1.00 0.00 C ATOM 296 CD ARG A 18 -12.404 -4.105 -2.508 1.00 0.00 C ATOM 297 NE ARG A 18 -13.119 -3.946 -1.236 1.00 0.00 N ATOM 298 CZ ARG A 18 -13.551 -2.781 -0.736 1.00 0.00 C ATOM 299 NH1 ARG A 18 -13.491 -1.665 -1.451 1.00 0.00 N ATOM 300 NH2 ARG A 18 -14.096 -2.743 0.466 1.00 0.00 N ATOM 0 H ARG A 18 -13.486 -6.094 -5.611 1.00 0.00 H new ATOM 0 HA ARG A 18 -11.796 -3.874 -5.165 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.522 -6.846 -4.483 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.445 -5.613 -3.858 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -13.441 -5.813 -3.320 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -12.162 -6.225 -2.195 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.370 -3.783 -2.384 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -12.853 -3.454 -3.258 1.00 0.00 H new ATOM 0 HE ARG A 18 -13.301 -4.788 -0.690 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -13.111 -1.685 -2.397 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -13.825 -0.787 -1.054 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -14.187 -3.600 1.012 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -14.426 -1.857 0.849 1.00 0.00 H new ATOM 314 N LEU A 19 -10.217 -6.263 -6.853 1.00 0.00 N ATOM 315 CA LEU A 19 -8.997 -6.527 -7.665 1.00 0.00 C ATOM 316 C LEU A 19 -9.237 -7.588 -8.762 1.00 0.00 C ATOM 317 O LEU A 19 -8.291 -8.225 -9.243 1.00 0.00 O ATOM 318 CB LEU A 19 -7.782 -6.908 -6.746 1.00 0.00 C ATOM 319 CG LEU A 19 -7.819 -8.290 -5.994 1.00 0.00 C ATOM 320 CD1 LEU A 19 -6.436 -8.642 -5.402 1.00 0.00 C ATOM 321 CD2 LEU A 19 -8.892 -8.328 -4.885 1.00 0.00 C ATOM 0 H LEU A 19 -10.761 -7.099 -6.640 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.749 -5.600 -8.183 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.882 -6.888 -7.360 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.674 -6.124 -5.996 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.086 -9.038 -6.740 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.494 -9.602 -4.889 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.701 -8.703 -6.205 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.136 -7.869 -4.694 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -8.877 -9.303 -4.397 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.683 -7.551 -4.150 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -9.875 -8.158 -5.324 1.00 0.00 H new ATOM 333 N ALA A 20 -10.497 -7.718 -9.206 1.00 0.00 N ATOM 334 CA ALA A 20 -10.876 -8.663 -10.285 1.00 0.00 C ATOM 335 C ALA A 20 -10.437 -8.167 -11.679 1.00 0.00 C ATOM 336 O ALA A 20 -10.299 -8.968 -12.606 1.00 0.00 O ATOM 337 CB ALA A 20 -12.384 -8.934 -10.258 1.00 0.00 C ATOM 0 H ALA A 20 -11.280 -7.180 -8.836 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.346 -9.596 -10.096 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -12.643 -9.629 -11.057 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.659 -9.367 -9.296 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.924 -7.998 -10.402 1.00 0.00 H new ATOM 343 N SER A 21 -10.215 -6.852 -11.811 1.00 0.00 N ATOM 344 CA SER A 21 -9.737 -6.224 -13.057 1.00 0.00 C ATOM 345 C SER A 21 -8.587 -5.267 -12.732 1.00 0.00 C ATOM 346 O SER A 21 -7.444 -5.501 -13.134 1.00 0.00 O ATOM 347 CB SER A 21 -10.891 -5.472 -13.757 1.00 0.00 C ATOM 348 OG SER A 21 -11.926 -6.353 -14.135 1.00 0.00 O ATOM 0 H SER A 21 -10.362 -6.187 -11.052 1.00 0.00 H new ATOM 0 HA SER A 21 -9.377 -6.996 -13.737 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.288 -4.708 -13.088 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.510 -4.957 -14.639 1.00 0.00 H new ATOM 0 HG SER A 21 -12.642 -5.848 -14.574 1.00 0.00 H new ATOM 354 N ASP A 22 -8.912 -4.189 -11.995 1.00 0.00 N ATOM 355 CA ASP A 22 -7.933 -3.215 -11.490 1.00 0.00 C ATOM 356 C ASP A 22 -7.359 -3.737 -10.167 1.00 0.00 C ATOM 357 O ASP A 22 -8.101 -3.816 -9.184 1.00 0.00 O ATOM 358 CB ASP A 22 -8.613 -1.826 -11.243 1.00 0.00 C ATOM 359 CG ASP A 22 -9.286 -1.210 -12.480 1.00 0.00 C ATOM 360 OD1 ASP A 22 -10.238 -1.817 -13.017 1.00 0.00 O ATOM 361 OD2 ASP A 22 -8.880 -0.106 -12.915 1.00 0.00 O ATOM 0 H ASP A 22 -9.873 -3.969 -11.732 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.141 -3.089 -12.228 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.360 -1.938 -10.458 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.861 -1.130 -10.871 1.00 0.00 H new ATOM 366 N THR A 23 -6.063 -4.116 -10.137 1.00 0.00 N ATOM 367 CA THR A 23 -5.395 -4.513 -8.889 1.00 0.00 C ATOM 368 C THR A 23 -5.309 -3.305 -7.940 1.00 0.00 C ATOM 369 O THR A 23 -4.608 -2.323 -8.221 1.00 0.00 O ATOM 370 CB THR A 23 -3.976 -5.087 -9.177 1.00 0.00 C ATOM 371 OG1 THR A 23 -4.091 -6.167 -10.113 1.00 0.00 O ATOM 372 CG2 THR A 23 -3.278 -5.591 -7.902 1.00 0.00 C ATOM 0 H THR A 23 -5.465 -4.154 -10.962 1.00 0.00 H new ATOM 0 HA THR A 23 -5.981 -5.298 -8.412 1.00 0.00 H new ATOM 0 HB THR A 23 -3.367 -4.280 -9.586 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.202 -6.533 -10.301 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.293 -5.981 -8.157 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.171 -4.767 -7.196 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.875 -6.382 -7.449 1.00 0.00 H new ATOM 380 N ARG A 24 -6.065 -3.369 -6.836 1.00 0.00 N ATOM 381 CA ARG A 24 -6.200 -2.251 -5.894 1.00 0.00 C ATOM 382 C ARG A 24 -5.671 -2.616 -4.509 1.00 0.00 C ATOM 383 O ARG A 24 -5.668 -3.790 -4.105 1.00 0.00 O ATOM 384 CB ARG A 24 -7.673 -1.787 -5.795 1.00 0.00 C ATOM 385 CG ARG A 24 -8.267 -1.207 -7.096 1.00 0.00 C ATOM 386 CD ARG A 24 -7.530 0.041 -7.611 1.00 0.00 C ATOM 387 NE ARG A 24 -8.307 0.730 -8.660 1.00 0.00 N ATOM 388 CZ ARG A 24 -8.449 2.062 -8.774 1.00 0.00 C ATOM 389 NH1 ARG A 24 -7.890 2.883 -7.890 1.00 0.00 N ATOM 390 NH2 ARG A 24 -9.149 2.563 -9.775 1.00 0.00 N ATOM 0 H ARG A 24 -6.599 -4.196 -6.571 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.598 -1.429 -6.281 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.284 -2.634 -5.481 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.748 -1.032 -5.012 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.245 -1.975 -7.869 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.314 -0.955 -6.926 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.347 0.725 -6.783 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.556 -0.247 -8.007 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.774 0.148 -9.355 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.346 2.504 -7.115 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.005 3.892 -7.987 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.580 1.940 -10.458 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.259 3.573 -9.865 1.00 0.00 H new ATOM 404 N ILE A 25 -5.233 -1.575 -3.801 1.00 0.00 N ATOM 405 CA ILE A 25 -4.741 -1.659 -2.430 1.00 0.00 C ATOM 406 C ILE A 25 -5.209 -0.421 -1.653 1.00 0.00 C ATOM 407 O ILE A 25 -5.261 0.687 -2.210 1.00 0.00 O ATOM 408 CB ILE A 25 -3.170 -1.768 -2.401 1.00 0.00 C ATOM 409 CG1 ILE A 25 -2.606 -1.863 -0.939 1.00 0.00 C ATOM 410 CG2 ILE A 25 -2.513 -0.598 -3.176 1.00 0.00 C ATOM 411 CD1 ILE A 25 -1.121 -2.175 -0.848 1.00 0.00 C ATOM 0 H ILE A 25 -5.211 -0.627 -4.177 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.142 -2.557 -1.961 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.909 -2.699 -2.904 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.797 -0.919 -0.429 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.158 -2.633 -0.401 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.428 -0.700 -3.138 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.844 -0.618 -4.214 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.804 0.349 -2.721 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.822 -2.221 0.199 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.921 -3.135 -1.325 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.553 -1.394 -1.353 1.00 0.00 H new ATOM 423 N ASN A 26 -5.567 -0.602 -0.381 1.00 0.00 N ATOM 424 CA ASN A 26 -5.904 0.511 0.502 1.00 0.00 C ATOM 425 C ASN A 26 -4.610 0.940 1.198 1.00 0.00 C ATOM 426 O ASN A 26 -4.134 0.280 2.130 1.00 0.00 O ATOM 427 CB ASN A 26 -6.999 0.091 1.507 1.00 0.00 C ATOM 428 CG ASN A 26 -8.328 -0.263 0.823 1.00 0.00 C ATOM 429 OD1 ASN A 26 -8.685 0.304 -0.211 1.00 0.00 O ATOM 430 ND2 ASN A 26 -9.056 -1.223 1.371 1.00 0.00 N ATOM 0 H ASN A 26 -5.631 -1.519 0.062 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.314 1.352 -0.057 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.650 -0.768 2.080 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -7.165 0.901 2.217 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.934 -1.508 0.937 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.739 -1.677 2.227 1.00 0.00 H new ATOM 437 N VAL A 27 -4.025 2.024 0.688 1.00 0.00 N ATOM 438 CA VAL A 27 -2.746 2.563 1.135 1.00 0.00 C ATOM 439 C VAL A 27 -2.981 3.498 2.315 1.00 0.00 C ATOM 440 O VAL A 27 -3.608 4.555 2.156 1.00 0.00 O ATOM 441 CB VAL A 27 -2.043 3.351 -0.032 1.00 0.00 C ATOM 442 CG1 VAL A 27 -0.698 3.972 0.418 1.00 0.00 C ATOM 443 CG2 VAL A 27 -1.850 2.448 -1.266 1.00 0.00 C ATOM 0 H VAL A 27 -4.442 2.565 -0.069 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.099 1.739 1.438 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.701 4.175 -0.310 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.246 4.507 -0.418 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.875 4.666 1.240 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.025 3.181 0.749 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.362 3.015 -2.059 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.230 1.593 -0.998 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.821 2.097 -1.615 1.00 0.00 H new ATOM 453 N VAL A 28 -2.502 3.097 3.494 1.00 0.00 N ATOM 454 CA VAL A 28 -2.587 3.904 4.704 1.00 0.00 C ATOM 455 C VAL A 28 -1.279 4.684 4.847 1.00 0.00 C ATOM 456 O VAL A 28 -0.245 4.116 5.227 1.00 0.00 O ATOM 457 CB VAL A 28 -2.827 3.012 5.983 1.00 0.00 C ATOM 458 CG1 VAL A 28 -3.028 3.882 7.248 1.00 0.00 C ATOM 459 CG2 VAL A 28 -4.016 2.038 5.785 1.00 0.00 C ATOM 0 H VAL A 28 -2.042 2.197 3.633 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.436 4.583 4.622 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.929 2.411 6.129 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.191 3.237 8.111 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.141 4.493 7.414 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.894 4.529 7.110 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.151 1.440 6.687 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.924 2.608 5.588 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.810 1.380 4.941 1.00 0.00 H new ATOM 469 N ASP A 29 -1.315 5.966 4.456 1.00 0.00 N ATOM 470 CA ASP A 29 -0.205 6.895 4.677 1.00 0.00 C ATOM 471 C ASP A 29 -0.024 7.076 6.202 1.00 0.00 C ATOM 472 O ASP A 29 -0.921 7.601 6.847 1.00 0.00 O ATOM 473 CB ASP A 29 -0.492 8.253 3.979 1.00 0.00 C ATOM 474 CG ASP A 29 0.692 9.238 4.071 1.00 0.00 C ATOM 475 OD1 ASP A 29 0.820 9.947 5.099 1.00 0.00 O ATOM 476 OD2 ASP A 29 1.504 9.304 3.119 1.00 0.00 O ATOM 0 H ASP A 29 -2.114 6.384 3.979 1.00 0.00 H new ATOM 0 HA ASP A 29 0.715 6.498 4.247 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.728 8.074 2.930 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.373 8.709 4.431 1.00 0.00 H new ATOM 481 N PRO A 30 1.111 6.620 6.806 1.00 0.00 N ATOM 482 CA PRO A 30 1.281 6.609 8.281 1.00 0.00 C ATOM 483 C PRO A 30 1.636 7.994 8.874 1.00 0.00 C ATOM 484 O PRO A 30 1.793 8.126 10.094 1.00 0.00 O ATOM 485 CB PRO A 30 2.426 5.583 8.476 1.00 0.00 C ATOM 486 CG PRO A 30 3.271 5.738 7.244 1.00 0.00 C ATOM 487 CD PRO A 30 2.317 6.089 6.116 1.00 0.00 C ATOM 0 HA PRO A 30 0.360 6.350 8.804 1.00 0.00 H new ATOM 0 HB2 PRO A 30 2.998 5.791 9.380 1.00 0.00 H new ATOM 0 HB3 PRO A 30 2.040 4.568 8.569 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.017 6.521 7.380 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.811 4.817 7.024 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.750 6.831 5.445 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.077 5.214 5.512 1.00 0.00 H new ATOM 495 N GLU A 31 1.771 9.014 8.011 1.00 0.00 N ATOM 496 CA GLU A 31 2.154 10.376 8.421 1.00 0.00 C ATOM 497 C GLU A 31 0.884 11.201 8.697 1.00 0.00 C ATOM 498 O GLU A 31 0.734 11.813 9.762 1.00 0.00 O ATOM 499 CB GLU A 31 2.993 11.041 7.286 1.00 0.00 C ATOM 500 CG GLU A 31 4.049 10.126 6.627 1.00 0.00 C ATOM 501 CD GLU A 31 5.197 9.740 7.570 1.00 0.00 C ATOM 502 OE1 GLU A 31 6.208 10.480 7.633 1.00 0.00 O ATOM 503 OE2 GLU A 31 5.111 8.688 8.231 1.00 0.00 O ATOM 0 H GLU A 31 1.617 8.918 7.007 1.00 0.00 H new ATOM 0 HA GLU A 31 2.755 10.335 9.329 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.312 11.398 6.514 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.498 11.916 7.694 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.561 9.219 6.271 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.461 10.630 5.753 1.00 0.00 H new ATOM 510 N THR A 32 -0.016 11.201 7.698 1.00 0.00 N ATOM 511 CA THR A 32 -1.294 11.931 7.728 1.00 0.00 C ATOM 512 C THR A 32 -2.446 11.050 8.238 1.00 0.00 C ATOM 513 O THR A 32 -3.373 11.543 8.885 1.00 0.00 O ATOM 514 CB THR A 32 -1.640 12.444 6.292 1.00 0.00 C ATOM 515 OG1 THR A 32 -1.688 11.333 5.383 1.00 0.00 O ATOM 516 CG2 THR A 32 -0.623 13.472 5.778 1.00 0.00 C ATOM 0 H THR A 32 0.128 10.683 6.831 1.00 0.00 H new ATOM 0 HA THR A 32 -1.178 12.769 8.415 1.00 0.00 H new ATOM 0 HB THR A 32 -2.611 12.937 6.348 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.780 11.001 5.223 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.908 13.797 4.777 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.605 14.332 6.447 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.367 13.018 5.744 1.00 0.00 H new ATOM 524 N GLY A 33 -2.363 9.747 7.937 1.00 0.00 N ATOM 525 CA GLY A 33 -3.438 8.787 8.231 1.00 0.00 C ATOM 526 C GLY A 33 -4.399 8.588 7.057 1.00 0.00 C ATOM 527 O GLY A 33 -5.415 7.896 7.209 1.00 0.00 O ATOM 0 H GLY A 33 -1.551 9.328 7.484 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.997 7.827 8.499 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.000 9.133 9.099 1.00 0.00 H new ATOM 531 N LYS A 34 -4.074 9.180 5.882 1.00 0.00 N ATOM 532 CA LYS A 34 -4.929 9.108 4.679 1.00 0.00 C ATOM 533 C LYS A 34 -4.935 7.683 4.090 1.00 0.00 C ATOM 534 O LYS A 34 -3.929 7.230 3.533 1.00 0.00 O ATOM 535 CB LYS A 34 -4.454 10.121 3.592 1.00 0.00 C ATOM 536 CG LYS A 34 -4.522 11.608 4.002 1.00 0.00 C ATOM 537 CD LYS A 34 -5.962 12.107 4.290 1.00 0.00 C ATOM 538 CE LYS A 34 -6.000 13.604 4.651 1.00 0.00 C ATOM 539 NZ LYS A 34 -7.380 14.102 4.885 1.00 0.00 N ATOM 0 H LYS A 34 -3.217 9.716 5.745 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.942 9.369 4.984 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.426 9.882 3.321 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.060 9.980 2.697 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.909 11.760 4.891 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.088 12.216 3.208 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.587 11.930 3.415 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.388 11.527 5.109 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.400 13.773 5.545 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.542 14.179 3.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.348 15.114 5.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.948 13.967 4.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.811 13.574 5.671 1.00 0.00 H new ATOM 553 N VAL A 35 -6.065 6.978 4.253 1.00 0.00 N ATOM 554 CA VAL A 35 -6.301 5.671 3.623 1.00 0.00 C ATOM 555 C VAL A 35 -6.982 5.906 2.264 1.00 0.00 C ATOM 556 O VAL A 35 -8.076 6.488 2.218 1.00 0.00 O ATOM 557 CB VAL A 35 -7.207 4.746 4.523 1.00 0.00 C ATOM 558 CG1 VAL A 35 -7.303 3.319 3.940 1.00 0.00 C ATOM 559 CG2 VAL A 35 -6.712 4.711 5.986 1.00 0.00 C ATOM 0 H VAL A 35 -6.844 7.300 4.828 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.345 5.163 3.494 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.208 5.178 4.524 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.934 2.705 4.583 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.736 3.363 2.941 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.307 2.881 3.885 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.362 4.063 6.575 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.693 4.326 6.016 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.732 5.719 6.401 1.00 0.00 H new ATOM 569 N GLU A 36 -6.347 5.468 1.171 1.00 0.00 N ATOM 570 CA GLU A 36 -6.827 5.735 -0.198 1.00 0.00 C ATOM 571 C GLU A 36 -6.586 4.515 -1.099 1.00 0.00 C ATOM 572 O GLU A 36 -5.569 3.839 -0.969 1.00 0.00 O ATOM 573 CB GLU A 36 -6.117 6.984 -0.782 1.00 0.00 C ATOM 574 CG GLU A 36 -6.608 7.415 -2.187 1.00 0.00 C ATOM 575 CD GLU A 36 -5.843 8.619 -2.760 1.00 0.00 C ATOM 576 OE1 GLU A 36 -6.120 9.766 -2.345 1.00 0.00 O ATOM 577 OE2 GLU A 36 -4.955 8.429 -3.615 1.00 0.00 O ATOM 0 H GLU A 36 -5.488 4.919 1.206 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.899 5.929 -0.158 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.255 7.818 -0.093 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.046 6.785 -0.832 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.510 6.573 -2.872 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.669 7.660 -2.133 1.00 0.00 H new ATOM 584 N ILE A 37 -7.533 4.265 -2.015 1.00 0.00 N ATOM 585 CA ILE A 37 -7.462 3.156 -2.973 1.00 0.00 C ATOM 586 C ILE A 37 -6.485 3.518 -4.117 1.00 0.00 C ATOM 587 O ILE A 37 -6.662 4.541 -4.789 1.00 0.00 O ATOM 588 CB ILE A 37 -8.894 2.824 -3.545 1.00 0.00 C ATOM 589 CG1 ILE A 37 -9.888 2.484 -2.378 1.00 0.00 C ATOM 590 CG2 ILE A 37 -8.826 1.675 -4.580 1.00 0.00 C ATOM 591 CD1 ILE A 37 -11.310 2.184 -2.821 1.00 0.00 C ATOM 0 H ILE A 37 -8.375 4.832 -2.111 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.092 2.268 -2.461 1.00 0.00 H new ATOM 0 HB ILE A 37 -9.270 3.707 -4.061 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.503 1.623 -1.831 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.908 3.322 -1.681 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -9.827 1.466 -4.958 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -8.179 1.968 -5.407 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.424 0.780 -4.105 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.924 1.961 -1.948 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -11.720 3.050 -3.340 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -11.308 1.326 -3.493 1.00 0.00 H new ATOM 603 N ALA A 38 -5.474 2.672 -4.330 1.00 0.00 N ATOM 604 CA ALA A 38 -4.401 2.905 -5.312 1.00 0.00 C ATOM 605 C ALA A 38 -4.280 1.707 -6.254 1.00 0.00 C ATOM 606 O ALA A 38 -4.686 0.594 -5.901 1.00 0.00 O ATOM 607 CB ALA A 38 -3.071 3.158 -4.586 1.00 0.00 C ATOM 0 H ALA A 38 -5.372 1.794 -3.821 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.646 3.786 -5.905 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.283 3.329 -5.319 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.167 4.035 -3.945 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.818 2.290 -3.977 1.00 0.00 H new ATOM 613 N GLU A 39 -3.695 1.946 -7.436 1.00 0.00 N ATOM 614 CA GLU A 39 -3.493 0.914 -8.470 1.00 0.00 C ATOM 615 C GLU A 39 -2.058 0.384 -8.359 1.00 0.00 C ATOM 616 O GLU A 39 -1.105 1.167 -8.471 1.00 0.00 O ATOM 617 CB GLU A 39 -3.733 1.477 -9.904 1.00 0.00 C ATOM 618 CG GLU A 39 -5.108 2.158 -10.131 1.00 0.00 C ATOM 619 CD GLU A 39 -5.117 3.659 -9.768 1.00 0.00 C ATOM 620 OE1 GLU A 39 -5.342 4.011 -8.588 1.00 0.00 O ATOM 621 OE2 GLU A 39 -4.903 4.497 -10.670 1.00 0.00 O ATOM 0 H GLU A 39 -3.346 2.865 -7.706 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.214 0.114 -8.306 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.948 2.199 -10.128 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.629 0.660 -10.618 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.394 2.043 -11.177 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.863 1.643 -9.536 1.00 0.00 H new ATOM 628 N ILE A 40 -1.905 -0.933 -8.129 1.00 0.00 N ATOM 629 CA ILE A 40 -0.584 -1.571 -8.016 1.00 0.00 C ATOM 630 C ILE A 40 0.013 -1.764 -9.424 1.00 0.00 C ATOM 631 O ILE A 40 -0.505 -2.538 -10.235 1.00 0.00 O ATOM 632 CB ILE A 40 -0.661 -2.940 -7.238 1.00 0.00 C ATOM 633 CG1 ILE A 40 -1.264 -2.700 -5.819 1.00 0.00 C ATOM 634 CG2 ILE A 40 0.728 -3.631 -7.156 1.00 0.00 C ATOM 635 CD1 ILE A 40 -1.369 -3.923 -4.936 1.00 0.00 C ATOM 0 H ILE A 40 -2.687 -1.578 -8.017 1.00 0.00 H new ATOM 0 HA ILE A 40 0.068 -0.918 -7.437 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.314 -3.618 -7.788 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.655 -1.956 -5.306 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.260 -2.272 -5.935 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.635 -4.571 -6.613 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.096 -3.828 -8.163 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.429 -2.979 -6.635 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.801 -3.642 -3.975 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.006 -4.665 -5.417 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.376 -4.344 -4.778 1.00 0.00 H new ATOM 647 N ARG A 41 1.093 -1.020 -9.689 1.00 0.00 N ATOM 648 CA ARG A 41 1.801 -1.010 -10.975 1.00 0.00 C ATOM 649 C ARG A 41 2.755 -2.215 -11.093 1.00 0.00 C ATOM 650 O ARG A 41 2.884 -2.813 -12.166 1.00 0.00 O ATOM 651 CB ARG A 41 2.575 0.331 -11.115 1.00 0.00 C ATOM 652 CG ARG A 41 1.679 1.588 -10.983 1.00 0.00 C ATOM 653 CD ARG A 41 2.424 2.894 -11.299 1.00 0.00 C ATOM 654 NE ARG A 41 3.550 3.133 -10.377 1.00 0.00 N ATOM 655 CZ ARG A 41 4.564 3.995 -10.599 1.00 0.00 C ATOM 656 NH1 ARG A 41 4.638 4.683 -11.735 1.00 0.00 N ATOM 657 NH2 ARG A 41 5.512 4.146 -9.689 1.00 0.00 N ATOM 0 H ARG A 41 1.509 -0.394 -9.000 1.00 0.00 H new ATOM 0 HA ARG A 41 1.077 -1.095 -11.785 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.355 0.371 -10.354 1.00 0.00 H new ATOM 0 HB3 ARG A 41 3.074 0.352 -12.084 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.826 1.491 -11.655 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.282 1.639 -9.969 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.797 2.859 -12.323 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.727 3.730 -11.242 1.00 0.00 H new ATOM 0 HE ARG A 41 3.563 2.606 -9.504 1.00 0.00 H new ATOM 0 HH11 ARG A 41 3.922 4.562 -12.452 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.410 5.331 -11.889 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.476 3.611 -8.821 1.00 0.00 H new ATOM 0 HH22 ARG A 41 6.279 4.797 -9.855 1.00 0.00 H new ATOM 671 N ASN A 42 3.409 -2.572 -9.976 1.00 0.00 N ATOM 672 CA ASN A 42 4.374 -3.694 -9.928 1.00 0.00 C ATOM 673 C ASN A 42 4.194 -4.452 -8.603 1.00 0.00 C ATOM 674 O ASN A 42 4.007 -3.827 -7.558 1.00 0.00 O ATOM 675 CB ASN A 42 5.831 -3.158 -10.075 1.00 0.00 C ATOM 676 CG ASN A 42 6.885 -4.241 -10.353 1.00 0.00 C ATOM 677 OD1 ASN A 42 6.738 -5.401 -9.982 1.00 0.00 O ATOM 678 ND2 ASN A 42 7.966 -3.867 -11.017 1.00 0.00 N ATOM 0 H ASN A 42 3.288 -2.096 -9.082 1.00 0.00 H new ATOM 0 HA ASN A 42 4.188 -4.379 -10.756 1.00 0.00 H new ATOM 0 HB2 ASN A 42 5.856 -2.429 -10.885 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.104 -2.630 -9.161 1.00 0.00 H new ATOM 0 HD21 ASN A 42 8.695 -4.548 -11.229 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.070 -2.898 -11.317 1.00 0.00 H new ATOM 685 N VAL A 43 4.251 -5.789 -8.654 1.00 0.00 N ATOM 686 CA VAL A 43 4.024 -6.657 -7.479 1.00 0.00 C ATOM 687 C VAL A 43 5.339 -7.035 -6.763 1.00 0.00 C ATOM 688 O VAL A 43 5.329 -7.323 -5.558 1.00 0.00 O ATOM 689 CB VAL A 43 3.233 -7.951 -7.894 1.00 0.00 C ATOM 690 CG1 VAL A 43 1.867 -7.575 -8.512 1.00 0.00 C ATOM 691 CG2 VAL A 43 4.044 -8.838 -8.865 1.00 0.00 C ATOM 0 H VAL A 43 4.456 -6.305 -9.510 1.00 0.00 H new ATOM 0 HA VAL A 43 3.426 -6.084 -6.770 1.00 0.00 H new ATOM 0 HB VAL A 43 3.062 -8.534 -6.989 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.333 -8.482 -8.794 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.278 -7.019 -7.782 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.025 -6.958 -9.397 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.460 -9.721 -9.125 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.272 -8.274 -9.769 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.973 -9.146 -8.386 1.00 0.00 H new ATOM 701 N VAL A 44 6.462 -7.055 -7.516 1.00 0.00 N ATOM 702 CA VAL A 44 7.790 -7.382 -6.966 1.00 0.00 C ATOM 703 C VAL A 44 8.537 -6.098 -6.542 1.00 0.00 C ATOM 704 O VAL A 44 8.377 -5.030 -7.153 1.00 0.00 O ATOM 705 CB VAL A 44 8.659 -8.242 -7.969 1.00 0.00 C ATOM 706 CG1 VAL A 44 7.948 -9.572 -8.327 1.00 0.00 C ATOM 707 CG2 VAL A 44 9.040 -7.458 -9.247 1.00 0.00 C ATOM 0 H VAL A 44 6.470 -6.846 -8.514 1.00 0.00 H new ATOM 0 HA VAL A 44 7.630 -7.997 -6.080 1.00 0.00 H new ATOM 0 HB VAL A 44 9.590 -8.477 -7.453 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.569 -10.142 -9.018 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.787 -10.154 -7.420 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.988 -9.357 -8.796 1.00 0.00 H new ATOM 0 HG21 VAL A 44 9.636 -8.095 -9.901 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.134 -7.150 -9.768 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.619 -6.576 -8.974 1.00 0.00 H new ATOM 717 N GLU A 45 9.369 -6.226 -5.497 1.00 0.00 N ATOM 718 CA GLU A 45 10.030 -5.084 -4.830 1.00 0.00 C ATOM 719 C GLU A 45 11.436 -4.834 -5.401 1.00 0.00 C ATOM 720 O GLU A 45 12.404 -5.487 -5.003 1.00 0.00 O ATOM 721 CB GLU A 45 10.059 -5.323 -3.298 1.00 0.00 C ATOM 722 CG GLU A 45 10.587 -6.701 -2.842 1.00 0.00 C ATOM 723 CD GLU A 45 10.423 -6.920 -1.330 1.00 0.00 C ATOM 724 OE1 GLU A 45 9.337 -7.350 -0.903 1.00 0.00 O ATOM 725 OE2 GLU A 45 11.368 -6.642 -0.564 1.00 0.00 O ATOM 0 H GLU A 45 9.606 -7.129 -5.085 1.00 0.00 H new ATOM 0 HA GLU A 45 9.455 -4.179 -5.026 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.675 -4.549 -2.840 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.048 -5.196 -2.910 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.056 -7.487 -3.380 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.641 -6.789 -3.107 1.00 0.00 H new ATOM 732 N ASN A 46 11.516 -3.930 -6.406 1.00 0.00 N ATOM 733 CA ASN A 46 12.788 -3.416 -7.017 1.00 0.00 C ATOM 734 C ASN A 46 13.516 -4.472 -7.898 1.00 0.00 C ATOM 735 O ASN A 46 14.334 -4.115 -8.753 1.00 0.00 O ATOM 736 CB ASN A 46 13.764 -2.867 -5.929 1.00 0.00 C ATOM 737 CG ASN A 46 15.002 -2.135 -6.480 1.00 0.00 C ATOM 738 OD1 ASN A 46 14.943 -1.446 -7.503 1.00 0.00 O ATOM 739 ND2 ASN A 46 16.132 -2.293 -5.817 1.00 0.00 N ATOM 0 H ASN A 46 10.684 -3.522 -6.832 1.00 0.00 H new ATOM 0 HA ASN A 46 12.488 -2.599 -7.673 1.00 0.00 H new ATOM 0 HB2 ASN A 46 13.215 -2.185 -5.280 1.00 0.00 H new ATOM 0 HB3 ASN A 46 14.098 -3.698 -5.308 1.00 0.00 H new ATOM 0 HD21 ASN A 46 16.984 -1.840 -6.147 1.00 0.00 H new ATOM 0 HD22 ASN A 46 16.153 -2.868 -4.975 1.00 0.00 H new ATOM 746 N THR A 47 13.190 -5.759 -7.698 1.00 0.00 N ATOM 747 CA THR A 47 13.917 -6.892 -8.267 1.00 0.00 C ATOM 748 C THR A 47 13.765 -6.941 -9.803 1.00 0.00 C ATOM 749 O THR A 47 12.744 -7.408 -10.326 1.00 0.00 O ATOM 750 CB THR A 47 13.417 -8.215 -7.605 1.00 0.00 C ATOM 751 OG1 THR A 47 11.986 -8.291 -7.713 1.00 0.00 O ATOM 752 CG2 THR A 47 13.802 -8.306 -6.118 1.00 0.00 C ATOM 0 H THR A 47 12.396 -6.041 -7.123 1.00 0.00 H new ATOM 0 HA THR A 47 14.980 -6.772 -8.057 1.00 0.00 H new ATOM 0 HB THR A 47 13.895 -9.042 -8.130 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.711 -8.025 -8.615 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.432 -9.244 -5.703 1.00 0.00 H new ATOM 0 HG22 THR A 47 14.887 -8.269 -6.020 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.360 -7.470 -5.576 1.00 0.00 H new ATOM 760 N ALA A 48 14.779 -6.414 -10.507 1.00 0.00 N ATOM 761 CA ALA A 48 14.779 -6.297 -11.972 1.00 0.00 C ATOM 762 C ALA A 48 15.054 -7.657 -12.632 1.00 0.00 C ATOM 763 O ALA A 48 14.475 -7.981 -13.675 1.00 0.00 O ATOM 764 CB ALA A 48 15.805 -5.242 -12.417 1.00 0.00 C ATOM 0 H ALA A 48 15.628 -6.055 -10.071 1.00 0.00 H new ATOM 0 HA ALA A 48 13.791 -5.972 -12.296 1.00 0.00 H new ATOM 0 HB1 ALA A 48 15.797 -5.163 -13.504 1.00 0.00 H new ATOM 0 HB2 ALA A 48 15.547 -4.277 -11.981 1.00 0.00 H new ATOM 0 HB3 ALA A 48 16.799 -5.537 -12.082 1.00 0.00 H new ATOM 770 N ASN A 49 15.929 -8.464 -12.003 1.00 0.00 N ATOM 771 CA ASN A 49 16.298 -9.797 -12.512 1.00 0.00 C ATOM 772 C ASN A 49 15.751 -10.899 -11.562 1.00 0.00 C ATOM 773 O ASN A 49 16.091 -10.919 -10.370 1.00 0.00 O ATOM 774 CB ASN A 49 17.844 -9.907 -12.711 1.00 0.00 C ATOM 775 CG ASN A 49 18.662 -9.676 -11.432 1.00 0.00 C ATOM 776 OD1 ASN A 49 18.983 -10.615 -10.710 1.00 0.00 O ATOM 777 ND2 ASN A 49 19.014 -8.435 -11.146 1.00 0.00 N ATOM 0 H ASN A 49 16.397 -8.212 -11.133 1.00 0.00 H new ATOM 0 HA ASN A 49 15.841 -9.945 -13.491 1.00 0.00 H new ATOM 0 HB2 ASN A 49 18.079 -10.896 -13.105 1.00 0.00 H new ATOM 0 HB3 ASN A 49 18.155 -9.182 -13.463 1.00 0.00 H new ATOM 0 HD21 ASN A 49 19.565 -8.241 -10.310 1.00 0.00 H new ATOM 0 HD22 ASN A 49 18.735 -7.671 -11.762 1.00 0.00 H new ATOM 784 N PRO A 50 14.835 -11.805 -12.053 1.00 0.00 N ATOM 785 CA PRO A 50 14.282 -12.919 -11.242 1.00 0.00 C ATOM 786 C PRO A 50 15.324 -14.033 -10.994 1.00 0.00 C ATOM 787 O PRO A 50 15.953 -14.519 -11.943 1.00 0.00 O ATOM 788 CB PRO A 50 13.075 -13.448 -12.090 1.00 0.00 C ATOM 789 CG PRO A 50 12.877 -12.426 -13.180 1.00 0.00 C ATOM 790 CD PRO A 50 14.239 -11.806 -13.414 1.00 0.00 C ATOM 0 HA PRO A 50 13.985 -12.588 -10.247 1.00 0.00 H new ATOM 0 HB2 PRO A 50 13.289 -14.432 -12.507 1.00 0.00 H new ATOM 0 HB3 PRO A 50 12.179 -13.549 -11.478 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.498 -12.892 -14.089 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.149 -11.671 -12.881 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.834 -12.389 -14.116 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.161 -10.799 -13.823 1.00 0.00 H new ATOM 798 N HIS A 51 15.497 -14.415 -9.717 1.00 0.00 N ATOM 799 CA HIS A 51 16.378 -15.527 -9.307 1.00 0.00 C ATOM 800 C HIS A 51 16.007 -16.006 -7.886 1.00 0.00 C ATOM 801 O HIS A 51 15.991 -17.213 -7.620 1.00 0.00 O ATOM 802 CB HIS A 51 17.888 -15.134 -9.417 1.00 0.00 C ATOM 803 CG HIS A 51 18.327 -13.989 -8.542 1.00 0.00 C ATOM 804 ND1 HIS A 51 18.094 -12.666 -8.850 1.00 0.00 N ATOM 805 CD2 HIS A 51 19.001 -13.976 -7.367 1.00 0.00 C ATOM 806 CE1 HIS A 51 18.604 -11.900 -7.907 1.00 0.00 C ATOM 807 NE2 HIS A 51 19.157 -12.669 -6.998 1.00 0.00 N ATOM 0 H HIS A 51 15.028 -13.960 -8.934 1.00 0.00 H new ATOM 0 HA HIS A 51 16.224 -16.360 -9.993 1.00 0.00 H new ATOM 0 HB2 HIS A 51 18.491 -16.008 -9.171 1.00 0.00 H new ATOM 0 HB3 HIS A 51 18.104 -14.879 -10.454 1.00 0.00 H new ATOM 0 HD1 HIS A 51 17.603 -12.332 -9.679 1.00 0.00 H new ATOM 0 HD2 HIS A 51 19.351 -14.840 -6.822 1.00 0.00 H new ATOM 0 HE1 HIS A 51 18.572 -10.821 -7.885 1.00 0.00 H new ATOM 816 N PHE A 52 15.738 -15.051 -6.969 1.00 0.00 N ATOM 817 CA PHE A 52 15.148 -15.352 -5.642 1.00 0.00 C ATOM 818 C PHE A 52 13.627 -15.228 -5.742 1.00 0.00 C ATOM 819 O PHE A 52 12.892 -16.101 -5.273 1.00 0.00 O ATOM 820 CB PHE A 52 15.692 -14.411 -4.536 1.00 0.00 C ATOM 821 CG PHE A 52 17.188 -14.564 -4.219 1.00 0.00 C ATOM 822 CD1 PHE A 52 17.792 -15.822 -4.196 1.00 0.00 C ATOM 823 CD2 PHE A 52 17.983 -13.449 -3.927 1.00 0.00 C ATOM 824 CE1 PHE A 52 19.137 -15.963 -3.904 1.00 0.00 C ATOM 825 CE2 PHE A 52 19.328 -13.594 -3.632 1.00 0.00 C ATOM 826 CZ PHE A 52 19.904 -14.853 -3.619 1.00 0.00 C ATOM 0 H PHE A 52 15.921 -14.059 -7.123 1.00 0.00 H new ATOM 0 HA PHE A 52 15.428 -16.367 -5.361 1.00 0.00 H new ATOM 0 HB2 PHE A 52 15.505 -13.380 -4.835 1.00 0.00 H new ATOM 0 HB3 PHE A 52 15.124 -14.586 -3.622 1.00 0.00 H new ATOM 0 HD1 PHE A 52 17.200 -16.700 -4.410 1.00 0.00 H new ATOM 0 HD2 PHE A 52 17.541 -12.463 -3.932 1.00 0.00 H new ATOM 0 HE1 PHE A 52 19.587 -16.945 -3.899 1.00 0.00 H new ATOM 0 HE2 PHE A 52 19.929 -12.724 -3.412 1.00 0.00 H new ATOM 0 HZ PHE A 52 20.953 -14.966 -3.386 1.00 0.00 H new ATOM 836 N VAL A 53 13.173 -14.118 -6.341 1.00 0.00 N ATOM 837 CA VAL A 53 11.765 -13.937 -6.737 1.00 0.00 C ATOM 838 C VAL A 53 11.593 -14.393 -8.199 1.00 0.00 C ATOM 839 O VAL A 53 12.588 -14.527 -8.926 1.00 0.00 O ATOM 840 CB VAL A 53 11.276 -12.446 -6.565 1.00 0.00 C ATOM 841 CG1 VAL A 53 11.513 -11.933 -5.122 1.00 0.00 C ATOM 842 CG2 VAL A 53 11.918 -11.508 -7.610 1.00 0.00 C ATOM 0 H VAL A 53 13.768 -13.321 -6.565 1.00 0.00 H new ATOM 0 HA VAL A 53 11.147 -14.545 -6.076 1.00 0.00 H new ATOM 0 HB VAL A 53 10.201 -12.439 -6.743 1.00 0.00 H new ATOM 0 HG11 VAL A 53 11.165 -10.903 -5.040 1.00 0.00 H new ATOM 0 HG12 VAL A 53 10.964 -12.559 -4.419 1.00 0.00 H new ATOM 0 HG13 VAL A 53 12.577 -11.975 -4.891 1.00 0.00 H new ATOM 0 HG21 VAL A 53 11.556 -10.491 -7.458 1.00 0.00 H new ATOM 0 HG22 VAL A 53 13.002 -11.527 -7.499 1.00 0.00 H new ATOM 0 HG23 VAL A 53 11.650 -11.842 -8.612 1.00 0.00 H new ATOM 852 N ARG A 54 10.339 -14.611 -8.615 1.00 0.00 N ATOM 853 CA ARG A 54 10.015 -15.095 -9.975 1.00 0.00 C ATOM 854 C ARG A 54 8.489 -15.020 -10.174 1.00 0.00 C ATOM 855 O ARG A 54 8.005 -14.774 -11.287 1.00 0.00 O ATOM 856 CB ARG A 54 10.556 -16.562 -10.169 1.00 0.00 C ATOM 857 CG ARG A 54 10.915 -16.986 -11.618 1.00 0.00 C ATOM 858 CD ARG A 54 9.706 -17.177 -12.538 1.00 0.00 C ATOM 859 NE ARG A 54 8.750 -18.162 -12.000 1.00 0.00 N ATOM 860 CZ ARG A 54 7.467 -18.280 -12.383 1.00 0.00 C ATOM 861 NH1 ARG A 54 6.964 -17.495 -13.326 1.00 0.00 N ATOM 862 NH2 ARG A 54 6.701 -19.198 -11.816 1.00 0.00 N ATOM 0 H ARG A 54 9.520 -14.460 -8.026 1.00 0.00 H new ATOM 0 HA ARG A 54 10.497 -14.470 -10.726 1.00 0.00 H new ATOM 0 HB2 ARG A 54 11.445 -16.682 -9.549 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.806 -17.255 -9.788 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.571 -16.232 -12.052 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.480 -17.918 -11.582 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.201 -16.221 -12.676 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.047 -17.503 -13.521 1.00 0.00 H new ATOM 0 HE ARG A 54 9.088 -18.803 -11.282 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.553 -16.791 -13.771 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.989 -17.596 -13.607 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.085 -19.808 -11.095 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.726 -19.295 -12.100 1.00 0.00 H new ATOM 876 N ARG A 55 7.755 -15.236 -9.070 1.00 0.00 N ATOM 877 CA ARG A 55 6.274 -15.262 -9.045 1.00 0.00 C ATOM 878 C ARG A 55 5.673 -13.871 -9.363 1.00 0.00 C ATOM 879 O ARG A 55 6.318 -12.832 -9.149 1.00 0.00 O ATOM 880 CB ARG A 55 5.777 -15.722 -7.644 1.00 0.00 C ATOM 881 CG ARG A 55 6.397 -17.044 -7.137 1.00 0.00 C ATOM 882 CD ARG A 55 6.026 -17.362 -5.673 1.00 0.00 C ATOM 883 NE ARG A 55 6.451 -16.294 -4.742 1.00 0.00 N ATOM 884 CZ ARG A 55 6.868 -16.478 -3.477 1.00 0.00 C ATOM 885 NH1 ARG A 55 6.930 -17.691 -2.941 1.00 0.00 N ATOM 886 NH2 ARG A 55 7.208 -15.429 -2.750 1.00 0.00 N ATOM 0 H ARG A 55 8.174 -15.400 -8.155 1.00 0.00 H new ATOM 0 HA ARG A 55 5.944 -15.963 -9.811 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.993 -14.935 -6.921 1.00 0.00 H new ATOM 0 HB3 ARG A 55 4.693 -15.835 -7.678 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.066 -17.863 -7.776 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.482 -16.988 -7.227 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.948 -17.501 -5.596 1.00 0.00 H new ATOM 0 HD3 ARG A 55 6.490 -18.303 -5.379 1.00 0.00 H new ATOM 0 HE ARG A 55 6.426 -15.335 -5.090 1.00 0.00 H new ATOM 0 HH11 ARG A 55 6.658 -18.506 -3.491 1.00 0.00 H new ATOM 0 HH12 ARG A 55 7.249 -17.808 -1.979 1.00 0.00 H new ATOM 0 HH21 ARG A 55 7.153 -14.492 -3.149 1.00 0.00 H new ATOM 0 HH22 ARG A 55 7.526 -15.556 -1.789 1.00 0.00 H new ATOM 900 N ASN A 56 4.416 -13.863 -9.832 1.00 0.00 N ATOM 901 CA ASN A 56 3.672 -12.619 -10.148 1.00 0.00 C ATOM 902 C ASN A 56 2.611 -12.348 -9.053 1.00 0.00 C ATOM 903 O ASN A 56 1.607 -11.672 -9.299 1.00 0.00 O ATOM 904 CB ASN A 56 3.025 -12.722 -11.567 1.00 0.00 C ATOM 905 CG ASN A 56 1.852 -13.717 -11.657 1.00 0.00 C ATOM 906 OD1 ASN A 56 2.048 -14.916 -11.855 1.00 0.00 O ATOM 907 ND2 ASN A 56 0.629 -13.222 -11.522 1.00 0.00 N ATOM 0 H ASN A 56 3.881 -14.714 -10.005 1.00 0.00 H new ATOM 0 HA ASN A 56 4.363 -11.776 -10.162 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.673 -11.735 -11.866 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.792 -13.017 -12.283 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.181 -13.840 -11.582 1.00 0.00 H new ATOM 0 HD22 ASN A 56 0.498 -12.224 -11.359 1.00 0.00 H new ATOM 914 N ILE A 57 2.898 -12.796 -7.816 1.00 0.00 N ATOM 915 CA ILE A 57 1.935 -12.750 -6.698 1.00 0.00 C ATOM 916 C ILE A 57 2.481 -11.842 -5.579 1.00 0.00 C ATOM 917 O ILE A 57 3.698 -11.721 -5.386 1.00 0.00 O ATOM 918 CB ILE A 57 1.597 -14.194 -6.125 1.00 0.00 C ATOM 919 CG1 ILE A 57 0.438 -14.125 -5.068 1.00 0.00 C ATOM 920 CG2 ILE A 57 2.850 -14.889 -5.530 1.00 0.00 C ATOM 921 CD1 ILE A 57 -0.029 -15.460 -4.517 1.00 0.00 C ATOM 0 H ILE A 57 3.800 -13.199 -7.564 1.00 0.00 H new ATOM 0 HA ILE A 57 1.003 -12.339 -7.085 1.00 0.00 H new ATOM 0 HB ILE A 57 1.257 -14.801 -6.964 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.767 -13.504 -4.235 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.415 -13.622 -5.523 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.574 -15.873 -5.150 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.608 -14.999 -6.306 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.249 -14.284 -4.716 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.830 -15.296 -3.797 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.396 -16.082 -5.333 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.804 -15.962 -4.025 1.00 0.00 H new ATOM 933 N ILE A 58 1.561 -11.181 -4.876 1.00 0.00 N ATOM 934 CA ILE A 58 1.854 -10.337 -3.718 1.00 0.00 C ATOM 935 C ILE A 58 1.764 -11.176 -2.426 1.00 0.00 C ATOM 936 O ILE A 58 0.916 -12.070 -2.310 1.00 0.00 O ATOM 937 CB ILE A 58 0.847 -9.127 -3.675 1.00 0.00 C ATOM 938 CG1 ILE A 58 0.962 -8.308 -5.001 1.00 0.00 C ATOM 939 CG2 ILE A 58 1.085 -8.224 -2.442 1.00 0.00 C ATOM 940 CD1 ILE A 58 -0.040 -7.188 -5.167 1.00 0.00 C ATOM 0 H ILE A 58 0.567 -11.219 -5.102 1.00 0.00 H new ATOM 0 HA ILE A 58 2.866 -9.940 -3.800 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.164 -9.523 -3.583 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.965 -7.886 -5.060 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.855 -8.994 -5.841 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.370 -7.401 -2.450 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.955 -8.809 -1.532 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.098 -7.824 -2.474 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.129 -6.686 -6.120 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.050 -7.597 -5.147 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.077 -6.472 -4.354 1.00 0.00 H new ATOM 952 N THR A 59 2.646 -10.876 -1.473 1.00 0.00 N ATOM 953 CA THR A 59 2.683 -11.526 -0.157 1.00 0.00 C ATOM 954 C THR A 59 2.763 -10.448 0.940 1.00 0.00 C ATOM 955 O THR A 59 2.884 -9.247 0.641 1.00 0.00 O ATOM 956 CB THR A 59 3.872 -12.558 -0.083 1.00 0.00 C ATOM 957 OG1 THR A 59 4.018 -13.078 1.245 1.00 0.00 O ATOM 958 CG2 THR A 59 5.213 -11.969 -0.547 1.00 0.00 C ATOM 0 H THR A 59 3.367 -10.164 -1.592 1.00 0.00 H new ATOM 0 HA THR A 59 1.769 -12.097 0.003 1.00 0.00 H new ATOM 0 HB THR A 59 3.610 -13.362 -0.770 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.760 -13.717 1.266 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.990 -12.730 -0.472 1.00 0.00 H new ATOM 0 HG22 THR A 59 5.127 -11.640 -1.582 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.475 -11.119 0.084 1.00 0.00 H new ATOM 966 N ARG A 60 2.641 -10.870 2.209 1.00 0.00 N ATOM 967 CA ARG A 60 2.673 -9.951 3.363 1.00 0.00 C ATOM 968 C ARG A 60 4.113 -9.471 3.604 1.00 0.00 C ATOM 969 O ARG A 60 5.047 -10.280 3.563 1.00 0.00 O ATOM 970 CB ARG A 60 2.115 -10.647 4.630 1.00 0.00 C ATOM 971 CG ARG A 60 1.766 -9.700 5.802 1.00 0.00 C ATOM 972 CD ARG A 60 1.385 -10.464 7.075 1.00 0.00 C ATOM 973 NE ARG A 60 0.387 -11.523 6.823 1.00 0.00 N ATOM 974 CZ ARG A 60 0.005 -12.446 7.721 1.00 0.00 C ATOM 975 NH1 ARG A 60 0.329 -12.336 8.999 1.00 0.00 N ATOM 976 NH2 ARG A 60 -0.745 -13.466 7.331 1.00 0.00 N ATOM 0 H ARG A 60 2.518 -11.850 2.465 1.00 0.00 H new ATOM 0 HA ARG A 60 2.043 -9.089 3.145 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.219 -11.204 4.355 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.848 -11.375 4.978 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.619 -9.054 6.010 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.940 -9.052 5.509 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.280 -10.909 7.509 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.989 -9.764 7.810 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.044 -11.556 5.899 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.879 -11.539 9.319 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.029 -13.048 9.664 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.028 -13.547 6.355 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.039 -14.171 8.007 1.00 0.00 H new ATOM 990 N GLY A 61 4.292 -8.149 3.813 1.00 0.00 N ATOM 991 CA GLY A 61 5.625 -7.558 3.978 1.00 0.00 C ATOM 992 C GLY A 61 6.324 -7.292 2.652 1.00 0.00 C ATOM 993 O GLY A 61 7.437 -6.756 2.638 1.00 0.00 O ATOM 0 H GLY A 61 3.527 -7.477 3.870 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.536 -6.622 4.530 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.241 -8.226 4.580 1.00 0.00 H new ATOM 997 N ALA A 62 5.671 -7.679 1.533 1.00 0.00 N ATOM 998 CA ALA A 62 6.186 -7.426 0.183 1.00 0.00 C ATOM 999 C ALA A 62 5.929 -5.971 -0.183 1.00 0.00 C ATOM 1000 O ALA A 62 4.814 -5.461 0.028 1.00 0.00 O ATOM 1001 CB ALA A 62 5.547 -8.358 -0.851 1.00 0.00 C ATOM 0 H ALA A 62 4.778 -8.172 1.548 1.00 0.00 H new ATOM 0 HA ALA A 62 7.257 -7.626 0.178 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.954 -8.140 -1.838 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.764 -9.394 -0.590 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.468 -8.204 -0.861 1.00 0.00 H new ATOM 1007 N VAL A 63 6.965 -5.300 -0.697 1.00 0.00 N ATOM 1008 CA VAL A 63 6.863 -3.921 -1.144 1.00 0.00 C ATOM 1009 C VAL A 63 6.300 -3.910 -2.574 1.00 0.00 C ATOM 1010 O VAL A 63 6.937 -4.398 -3.516 1.00 0.00 O ATOM 1011 CB VAL A 63 8.248 -3.177 -1.096 1.00 0.00 C ATOM 1012 CG1 VAL A 63 8.093 -1.668 -1.389 1.00 0.00 C ATOM 1013 CG2 VAL A 63 8.983 -3.424 0.244 1.00 0.00 C ATOM 0 H VAL A 63 7.895 -5.704 -0.812 1.00 0.00 H new ATOM 0 HA VAL A 63 6.196 -3.386 -0.468 1.00 0.00 H new ATOM 0 HB VAL A 63 8.868 -3.599 -1.887 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.070 -1.187 -1.347 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.664 -1.532 -2.382 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.435 -1.219 -0.645 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.936 -2.894 0.240 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.369 -3.060 1.068 1.00 0.00 H new ATOM 0 HG23 VAL A 63 9.162 -4.492 0.369 1.00 0.00 H new ATOM 1023 N VAL A 64 5.100 -3.364 -2.712 1.00 0.00 N ATOM 1024 CA VAL A 64 4.428 -3.215 -3.997 1.00 0.00 C ATOM 1025 C VAL A 64 4.575 -1.760 -4.464 1.00 0.00 C ATOM 1026 O VAL A 64 4.627 -0.825 -3.645 1.00 0.00 O ATOM 1027 CB VAL A 64 2.904 -3.621 -3.918 1.00 0.00 C ATOM 1028 CG1 VAL A 64 2.747 -5.099 -3.488 1.00 0.00 C ATOM 1029 CG2 VAL A 64 2.085 -2.681 -2.994 1.00 0.00 C ATOM 0 H VAL A 64 4.558 -3.007 -1.925 1.00 0.00 H new ATOM 0 HA VAL A 64 4.895 -3.889 -4.715 1.00 0.00 H new ATOM 0 HB VAL A 64 2.495 -3.508 -4.922 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.688 -5.354 -3.441 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.244 -5.744 -4.213 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.198 -5.242 -2.506 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.044 -3.005 -2.976 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.494 -2.717 -1.984 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.141 -1.660 -3.372 1.00 0.00 H new ATOM 1039 N GLU A 65 4.674 -1.582 -5.774 1.00 0.00 N ATOM 1040 CA GLU A 65 4.763 -0.270 -6.395 1.00 0.00 C ATOM 1041 C GLU A 65 3.356 0.121 -6.822 1.00 0.00 C ATOM 1042 O GLU A 65 2.675 -0.672 -7.469 1.00 0.00 O ATOM 1043 CB GLU A 65 5.725 -0.301 -7.605 1.00 0.00 C ATOM 1044 CG GLU A 65 5.925 1.066 -8.290 1.00 0.00 C ATOM 1045 CD GLU A 65 6.488 2.145 -7.335 1.00 0.00 C ATOM 1046 OE1 GLU A 65 7.694 2.097 -7.023 1.00 0.00 O ATOM 1047 OE2 GLU A 65 5.728 3.057 -6.915 1.00 0.00 O ATOM 0 H GLU A 65 4.695 -2.353 -6.441 1.00 0.00 H new ATOM 0 HA GLU A 65 5.164 0.463 -5.694 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.694 -0.674 -7.275 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.344 -1.010 -8.340 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.603 0.947 -9.135 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.971 1.407 -8.693 1.00 0.00 H new ATOM 1054 N THR A 66 2.911 1.314 -6.428 1.00 0.00 N ATOM 1055 CA THR A 66 1.570 1.821 -6.752 1.00 0.00 C ATOM 1056 C THR A 66 1.707 3.175 -7.444 1.00 0.00 C ATOM 1057 O THR A 66 2.825 3.682 -7.616 1.00 0.00 O ATOM 1058 CB THR A 66 0.670 1.945 -5.468 1.00 0.00 C ATOM 1059 OG1 THR A 66 1.226 2.894 -4.552 1.00 0.00 O ATOM 1060 CG2 THR A 66 0.509 0.601 -4.741 1.00 0.00 C ATOM 0 H THR A 66 3.470 1.962 -5.873 1.00 0.00 H new ATOM 0 HA THR A 66 1.079 1.112 -7.419 1.00 0.00 H new ATOM 0 HB THR A 66 -0.311 2.278 -5.808 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.151 2.646 -4.346 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.120 0.736 -3.861 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.044 -0.122 -5.412 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.488 0.234 -4.434 1.00 0.00 H new ATOM 1068 N ASN A 67 0.573 3.760 -7.849 1.00 0.00 N ATOM 1069 CA ASN A 67 0.538 5.112 -8.442 1.00 0.00 C ATOM 1070 C ASN A 67 0.792 6.190 -7.363 1.00 0.00 C ATOM 1071 O ASN A 67 1.049 7.348 -7.694 1.00 0.00 O ATOM 1072 CB ASN A 67 -0.809 5.370 -9.171 1.00 0.00 C ATOM 1073 CG ASN A 67 -2.041 5.277 -8.259 1.00 0.00 C ATOM 1074 OD1 ASN A 67 -2.069 4.504 -7.300 1.00 0.00 O ATOM 1075 ND2 ASN A 67 -3.055 6.072 -8.535 1.00 0.00 N ATOM 0 H ASN A 67 -0.343 3.317 -7.778 1.00 0.00 H new ATOM 0 HA ASN A 67 1.336 5.173 -9.182 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -0.780 6.360 -9.626 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.915 4.650 -9.982 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.889 6.057 -7.948 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.006 6.703 -9.335 1.00 0.00 H new ATOM 1082 N LEU A 68 0.744 5.787 -6.068 1.00 0.00 N ATOM 1083 CA LEU A 68 1.053 6.678 -4.937 1.00 0.00 C ATOM 1084 C LEU A 68 2.534 6.548 -4.540 1.00 0.00 C ATOM 1085 O LEU A 68 3.230 7.559 -4.400 1.00 0.00 O ATOM 1086 CB LEU A 68 0.137 6.361 -3.730 1.00 0.00 C ATOM 1087 CG LEU A 68 -1.399 6.523 -3.974 1.00 0.00 C ATOM 1088 CD1 LEU A 68 -2.215 6.247 -2.689 1.00 0.00 C ATOM 1089 CD2 LEU A 68 -1.734 7.918 -4.551 1.00 0.00 C ATOM 0 H LEU A 68 0.491 4.840 -5.787 1.00 0.00 H new ATOM 0 HA LEU A 68 0.868 7.706 -5.247 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.328 5.336 -3.413 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.424 7.009 -2.902 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.686 5.776 -4.714 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.277 6.370 -2.899 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.027 5.228 -2.351 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.916 6.949 -1.910 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.810 7.998 -4.709 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.412 8.688 -3.850 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.217 8.053 -5.501 1.00 0.00 H new ATOM 1101 N GLY A 69 3.004 5.298 -4.358 1.00 0.00 N ATOM 1102 CA GLY A 69 4.403 5.031 -4.008 1.00 0.00 C ATOM 1103 C GLY A 69 4.653 3.587 -3.586 1.00 0.00 C ATOM 1104 O GLY A 69 3.962 2.665 -4.037 1.00 0.00 O ATOM 0 H GLY A 69 2.430 4.460 -4.449 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.036 5.267 -4.863 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.701 5.696 -3.198 1.00 0.00 H new ATOM 1108 N ASN A 70 5.652 3.400 -2.716 1.00 0.00 N ATOM 1109 CA ASN A 70 6.065 2.076 -2.211 1.00 0.00 C ATOM 1110 C ASN A 70 5.242 1.735 -0.967 1.00 0.00 C ATOM 1111 O ASN A 70 5.295 2.461 0.019 1.00 0.00 O ATOM 1112 CB ASN A 70 7.572 2.089 -1.861 1.00 0.00 C ATOM 1113 CG ASN A 70 8.456 2.460 -3.045 1.00 0.00 C ATOM 1114 OD1 ASN A 70 9.351 3.283 -2.918 1.00 0.00 O ATOM 1115 ND2 ASN A 70 8.231 1.839 -4.198 1.00 0.00 N ATOM 0 H ASN A 70 6.205 4.168 -2.336 1.00 0.00 H new ATOM 0 HA ASN A 70 5.893 1.323 -2.980 1.00 0.00 H new ATOM 0 HB2 ASN A 70 7.745 2.797 -1.050 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.862 1.105 -1.493 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.813 2.044 -5.010 1.00 0.00 H new ATOM 0 HD22 ASN A 70 7.476 1.157 -4.271 1.00 0.00 H new ATOM 1122 N VAL A 71 4.455 0.655 -1.020 1.00 0.00 N ATOM 1123 CA VAL A 71 3.567 0.239 0.085 1.00 0.00 C ATOM 1124 C VAL A 71 3.943 -1.186 0.535 1.00 0.00 C ATOM 1125 O VAL A 71 4.321 -2.002 -0.296 1.00 0.00 O ATOM 1126 CB VAL A 71 2.055 0.270 -0.387 1.00 0.00 C ATOM 1127 CG1 VAL A 71 1.078 0.105 0.798 1.00 0.00 C ATOM 1128 CG2 VAL A 71 1.738 1.557 -1.185 1.00 0.00 C ATOM 0 H VAL A 71 4.412 0.038 -1.831 1.00 0.00 H new ATOM 0 HA VAL A 71 3.688 0.929 0.920 1.00 0.00 H new ATOM 0 HB VAL A 71 1.914 -0.583 -1.051 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.052 0.132 0.430 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.262 -0.850 1.291 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.230 0.916 1.510 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.693 1.546 -1.493 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.922 2.429 -0.557 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.376 1.604 -2.067 1.00 0.00 H new ATOM 1138 N ARG A 72 3.838 -1.488 1.840 1.00 0.00 N ATOM 1139 CA ARG A 72 4.001 -2.864 2.365 1.00 0.00 C ATOM 1140 C ARG A 72 2.662 -3.382 2.831 1.00 0.00 C ATOM 1141 O ARG A 72 1.976 -2.704 3.585 1.00 0.00 O ATOM 1142 CB ARG A 72 5.045 -2.965 3.512 1.00 0.00 C ATOM 1143 CG ARG A 72 6.458 -3.325 3.024 1.00 0.00 C ATOM 1144 CD ARG A 72 7.419 -3.690 4.163 1.00 0.00 C ATOM 1145 NE ARG A 72 8.723 -4.154 3.641 1.00 0.00 N ATOM 1146 CZ ARG A 72 9.917 -3.661 3.990 1.00 0.00 C ATOM 1147 NH1 ARG A 72 10.019 -2.673 4.859 1.00 0.00 N ATOM 1148 NH2 ARG A 72 11.010 -4.169 3.455 1.00 0.00 N ATOM 0 H ARG A 72 3.639 -0.794 2.561 1.00 0.00 H new ATOM 0 HA ARG A 72 4.384 -3.477 1.549 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.084 -2.014 4.042 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.714 -3.716 4.229 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.393 -4.163 2.330 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.868 -2.482 2.468 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.570 -2.823 4.805 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.974 -4.470 4.781 1.00 0.00 H new ATOM 0 HE ARG A 72 8.711 -4.912 2.959 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.179 -2.272 5.277 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.938 -2.310 5.113 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.941 -4.931 2.781 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.924 -3.799 3.715 1.00 0.00 H new ATOM 1162 N VAL A 73 2.330 -4.603 2.411 1.00 0.00 N ATOM 1163 CA VAL A 73 1.042 -5.224 2.696 1.00 0.00 C ATOM 1164 C VAL A 73 1.062 -5.802 4.123 1.00 0.00 C ATOM 1165 O VAL A 73 1.651 -6.856 4.364 1.00 0.00 O ATOM 1166 CB VAL A 73 0.722 -6.331 1.633 1.00 0.00 C ATOM 1167 CG1 VAL A 73 -0.680 -6.950 1.840 1.00 0.00 C ATOM 1168 CG2 VAL A 73 0.873 -5.758 0.202 1.00 0.00 C ATOM 0 H VAL A 73 2.954 -5.191 1.859 1.00 0.00 H new ATOM 0 HA VAL A 73 0.252 -4.476 2.635 1.00 0.00 H new ATOM 0 HB VAL A 73 1.444 -7.137 1.767 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.857 -7.712 1.081 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.735 -7.404 2.829 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.438 -6.171 1.756 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.648 -6.536 -0.527 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.182 -4.925 0.069 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.895 -5.408 0.056 1.00 0.00 H new ATOM 1178 N THR A 74 0.486 -5.044 5.069 1.00 0.00 N ATOM 1179 CA THR A 74 0.363 -5.448 6.480 1.00 0.00 C ATOM 1180 C THR A 74 -0.727 -6.520 6.675 1.00 0.00 C ATOM 1181 O THR A 74 -0.646 -7.351 7.587 1.00 0.00 O ATOM 1182 CB THR A 74 0.063 -4.202 7.367 1.00 0.00 C ATOM 1183 OG1 THR A 74 -1.070 -3.487 6.837 1.00 0.00 O ATOM 1184 CG2 THR A 74 1.274 -3.250 7.452 1.00 0.00 C ATOM 0 H THR A 74 0.089 -4.125 4.875 1.00 0.00 H new ATOM 0 HA THR A 74 1.312 -5.888 6.785 1.00 0.00 H new ATOM 0 HB THR A 74 -0.155 -4.560 8.373 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.256 -2.706 7.399 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.022 -2.395 8.080 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.123 -3.779 7.884 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.534 -2.902 6.452 1.00 0.00 H new ATOM 1192 N SER A 75 -1.732 -6.489 5.794 1.00 0.00 N ATOM 1193 CA SER A 75 -2.838 -7.460 5.789 1.00 0.00 C ATOM 1194 C SER A 75 -2.507 -8.666 4.890 1.00 0.00 C ATOM 1195 O SER A 75 -1.364 -8.836 4.447 1.00 0.00 O ATOM 1196 CB SER A 75 -4.125 -6.755 5.332 1.00 0.00 C ATOM 1197 OG SER A 75 -4.453 -5.703 6.219 1.00 0.00 O ATOM 0 H SER A 75 -1.804 -5.786 5.058 1.00 0.00 H new ATOM 0 HA SER A 75 -2.986 -7.846 6.798 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.993 -6.362 4.324 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.945 -7.472 5.290 1.00 0.00 H new ATOM 0 HG SER A 75 -5.425 -5.581 6.237 1.00 0.00 H new ATOM 1203 N ARG A 76 -3.518 -9.520 4.658 1.00 0.00 N ATOM 1204 CA ARG A 76 -3.410 -10.690 3.784 1.00 0.00 C ATOM 1205 C ARG A 76 -3.960 -10.291 2.396 1.00 0.00 C ATOM 1206 O ARG A 76 -5.167 -10.037 2.272 1.00 0.00 O ATOM 1207 CB ARG A 76 -4.205 -11.898 4.368 1.00 0.00 C ATOM 1208 CG ARG A 76 -3.682 -12.468 5.711 1.00 0.00 C ATOM 1209 CD ARG A 76 -3.885 -11.532 6.913 1.00 0.00 C ATOM 1210 NE ARG A 76 -3.321 -12.103 8.138 1.00 0.00 N ATOM 1211 CZ ARG A 76 -3.101 -11.435 9.281 1.00 0.00 C ATOM 1212 NH1 ARG A 76 -3.403 -10.144 9.393 1.00 0.00 N ATOM 1213 NH2 ARG A 76 -2.590 -12.074 10.326 1.00 0.00 N ATOM 0 H ARG A 76 -4.441 -9.412 5.079 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.369 -11.003 3.703 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -5.243 -11.593 4.505 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.203 -12.700 3.630 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.185 -13.414 5.912 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.619 -12.687 5.611 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.416 -10.569 6.709 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.949 -11.345 7.054 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.074 -13.093 8.121 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.809 -9.645 8.602 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.228 -9.654 10.270 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.367 -13.067 10.257 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.420 -11.572 11.198 1.00 0.00 H new ATOM 1227 N PRO A 77 -3.084 -10.213 1.337 1.00 0.00 N ATOM 1228 CA PRO A 77 -3.466 -9.678 0.004 1.00 0.00 C ATOM 1229 C PRO A 77 -4.577 -10.512 -0.683 1.00 0.00 C ATOM 1230 O PRO A 77 -4.311 -11.562 -1.278 1.00 0.00 O ATOM 1231 CB PRO A 77 -2.127 -9.699 -0.798 1.00 0.00 C ATOM 1232 CG PRO A 77 -1.290 -10.739 -0.107 1.00 0.00 C ATOM 1233 CD PRO A 77 -1.658 -10.645 1.357 1.00 0.00 C ATOM 0 HA PRO A 77 -3.901 -8.681 0.070 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.295 -9.956 -1.844 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.640 -8.724 -0.783 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -1.497 -11.734 -0.501 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.227 -10.551 -0.258 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.537 -11.603 1.862 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.029 -9.926 1.882 1.00 0.00 H new ATOM 1241 N GLY A 78 -5.833 -10.055 -0.523 1.00 0.00 N ATOM 1242 CA GLY A 78 -6.995 -10.685 -1.158 1.00 0.00 C ATOM 1243 C GLY A 78 -7.841 -11.529 -0.207 1.00 0.00 C ATOM 1244 O GLY A 78 -9.025 -11.754 -0.485 1.00 0.00 O ATOM 0 H GLY A 78 -6.065 -9.242 0.048 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.623 -9.908 -1.595 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.651 -11.315 -1.978 1.00 0.00 H new ATOM 1248 N GLN A 79 -7.246 -12.017 0.911 1.00 0.00 N ATOM 1249 CA GLN A 79 -8.003 -12.772 1.945 1.00 0.00 C ATOM 1250 C GLN A 79 -8.902 -11.825 2.751 1.00 0.00 C ATOM 1251 O GLN A 79 -9.981 -12.220 3.206 1.00 0.00 O ATOM 1252 CB GLN A 79 -7.075 -13.567 2.899 1.00 0.00 C ATOM 1253 CG GLN A 79 -6.233 -14.666 2.216 1.00 0.00 C ATOM 1254 CD GLN A 79 -5.478 -15.580 3.194 1.00 0.00 C ATOM 1255 OE1 GLN A 79 -5.101 -15.174 4.294 1.00 0.00 O ATOM 1256 NE2 GLN A 79 -5.224 -16.821 2.793 1.00 0.00 N ATOM 0 H GLN A 79 -6.254 -11.903 1.119 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.622 -13.498 1.417 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.401 -12.868 3.394 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.685 -14.027 3.677 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.889 -15.278 1.597 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -5.513 -14.194 1.548 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -5.545 -17.137 1.878 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -4.708 -17.458 3.400 1.00 0.00 H new ATOM 1265 N ASP A 80 -8.456 -10.562 2.893 1.00 0.00 N ATOM 1266 CA ASP A 80 -9.268 -9.468 3.467 1.00 0.00 C ATOM 1267 C ASP A 80 -10.305 -8.943 2.446 1.00 0.00 C ATOM 1268 O ASP A 80 -10.997 -7.961 2.727 1.00 0.00 O ATOM 1269 CB ASP A 80 -8.346 -8.297 3.917 1.00 0.00 C ATOM 1270 CG ASP A 80 -7.465 -8.645 5.122 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -6.547 -9.472 4.977 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -7.678 -8.094 6.225 1.00 0.00 O ATOM 0 H ASP A 80 -7.520 -10.269 2.613 1.00 0.00 H new ATOM 0 HA ASP A 80 -9.803 -9.867 4.329 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.709 -8.005 3.082 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -8.963 -7.433 4.165 1.00 0.00 H new ATOM 1277 N GLY A 81 -10.393 -9.584 1.254 1.00 0.00 N ATOM 1278 CA GLY A 81 -11.222 -9.098 0.148 1.00 0.00 C ATOM 1279 C GLY A 81 -10.443 -8.170 -0.769 1.00 0.00 C ATOM 1280 O GLY A 81 -10.647 -8.160 -1.981 1.00 0.00 O ATOM 0 H GLY A 81 -9.890 -10.446 1.044 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -11.598 -9.945 -0.425 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -12.090 -8.572 0.547 1.00 0.00 H new ATOM 1284 N VAL A 82 -9.529 -7.410 -0.168 1.00 0.00 N ATOM 1285 CA VAL A 82 -8.683 -6.440 -0.845 1.00 0.00 C ATOM 1286 C VAL A 82 -7.269 -6.518 -0.235 1.00 0.00 C ATOM 1287 O VAL A 82 -7.068 -7.102 0.844 1.00 0.00 O ATOM 1288 CB VAL A 82 -9.294 -4.984 -0.711 1.00 0.00 C ATOM 1289 CG1 VAL A 82 -9.376 -4.528 0.755 1.00 0.00 C ATOM 1290 CG2 VAL A 82 -8.555 -3.940 -1.585 1.00 0.00 C ATOM 0 H VAL A 82 -9.355 -7.457 0.836 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.626 -6.667 -1.910 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.312 -5.049 -1.094 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.800 -3.525 0.801 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -10.009 -5.216 1.315 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -8.376 -4.519 1.190 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.017 -2.962 -1.452 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.508 -3.890 -1.285 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.619 -4.232 -2.633 1.00 0.00 H new ATOM 1300 N ILE A 83 -6.297 -5.946 -0.935 1.00 0.00 N ATOM 1301 CA ILE A 83 -4.929 -5.814 -0.451 1.00 0.00 C ATOM 1302 C ILE A 83 -4.869 -4.540 0.416 1.00 0.00 C ATOM 1303 O ILE A 83 -5.412 -3.514 0.017 1.00 0.00 O ATOM 1304 CB ILE A 83 -3.953 -5.732 -1.678 1.00 0.00 C ATOM 1305 CG1 ILE A 83 -4.228 -6.918 -2.664 1.00 0.00 C ATOM 1306 CG2 ILE A 83 -2.477 -5.720 -1.227 1.00 0.00 C ATOM 1307 CD1 ILE A 83 -3.414 -6.900 -3.942 1.00 0.00 C ATOM 0 H ILE A 83 -6.439 -5.556 -1.867 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.626 -6.672 0.150 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.139 -4.793 -2.199 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.034 -7.855 -2.142 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.286 -6.913 -2.926 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.830 -5.663 -2.102 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.299 -4.856 -0.587 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.258 -6.633 -0.673 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -3.679 -7.762 -4.554 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.624 -5.984 -4.494 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.352 -6.941 -3.698 1.00 0.00 H new ATOM 1319 N ASN A 84 -4.267 -4.613 1.610 1.00 0.00 N ATOM 1320 CA ASN A 84 -4.192 -3.463 2.544 1.00 0.00 C ATOM 1321 C ASN A 84 -2.767 -3.344 3.073 1.00 0.00 C ATOM 1322 O ASN A 84 -2.106 -4.368 3.306 1.00 0.00 O ATOM 1323 CB ASN A 84 -5.168 -3.647 3.740 1.00 0.00 C ATOM 1324 CG ASN A 84 -6.647 -3.717 3.363 1.00 0.00 C ATOM 1325 OD1 ASN A 84 -7.101 -3.044 2.443 1.00 0.00 O ATOM 1326 ND2 ASN A 84 -7.414 -4.534 4.076 1.00 0.00 N ATOM 0 H ASN A 84 -3.819 -5.459 1.961 1.00 0.00 H new ATOM 0 HA ASN A 84 -4.476 -2.559 2.005 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -4.900 -4.561 4.270 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -5.025 -2.821 4.436 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.409 -4.614 3.864 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.008 -5.081 4.835 1.00 0.00 H new ATOM 1333 N GLY A 85 -2.308 -2.101 3.287 1.00 0.00 N ATOM 1334 CA GLY A 85 -0.938 -1.871 3.741 1.00 0.00 C ATOM 1335 C GLY A 85 -0.626 -0.433 4.127 1.00 0.00 C ATOM 1336 O GLY A 85 -1.518 0.402 4.176 1.00 0.00 O ATOM 0 H GLY A 85 -2.861 -1.254 3.154 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.742 -2.513 4.600 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.252 -2.177 2.951 1.00 0.00 H new ATOM 1340 N VAL A 86 0.665 -0.163 4.403 1.00 0.00 N ATOM 1341 CA VAL A 86 1.153 1.155 4.859 1.00 0.00 C ATOM 1342 C VAL A 86 2.169 1.724 3.858 1.00 0.00 C ATOM 1343 O VAL A 86 3.023 0.988 3.340 1.00 0.00 O ATOM 1344 CB VAL A 86 1.800 1.074 6.298 1.00 0.00 C ATOM 1345 CG1 VAL A 86 0.723 0.797 7.377 1.00 0.00 C ATOM 1346 CG2 VAL A 86 2.925 0.007 6.348 1.00 0.00 C ATOM 0 H VAL A 86 1.405 -0.859 4.315 1.00 0.00 H new ATOM 0 HA VAL A 86 0.292 1.821 4.917 1.00 0.00 H new ATOM 0 HB VAL A 86 2.251 2.043 6.515 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.195 0.746 8.358 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.014 1.600 7.370 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.229 -0.151 7.163 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.351 -0.026 7.351 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.511 -0.970 6.098 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.704 0.266 5.631 1.00 0.00 H new ATOM 1356 N LEU A 87 2.057 3.032 3.565 1.00 0.00 N ATOM 1357 CA LEU A 87 2.947 3.710 2.610 1.00 0.00 C ATOM 1358 C LEU A 87 4.341 3.924 3.232 1.00 0.00 C ATOM 1359 O LEU A 87 4.504 4.728 4.156 1.00 0.00 O ATOM 1360 CB LEU A 87 2.347 5.063 2.168 1.00 0.00 C ATOM 1361 CG LEU A 87 3.124 5.821 1.038 1.00 0.00 C ATOM 1362 CD1 LEU A 87 3.128 5.026 -0.288 1.00 0.00 C ATOM 1363 CD2 LEU A 87 2.549 7.232 0.828 1.00 0.00 C ATOM 0 H LEU A 87 1.353 3.643 3.980 1.00 0.00 H new ATOM 0 HA LEU A 87 3.049 3.074 1.730 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.326 4.891 1.828 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.287 5.714 3.040 1.00 0.00 H new ATOM 0 HG LEU A 87 4.160 5.917 1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.677 5.585 -1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.608 4.060 -0.132 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.102 4.871 -0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.105 7.738 0.039 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.500 7.158 0.543 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.634 7.801 1.754 1.00 0.00 H new ATOM 1375 N ILE A 88 5.330 3.181 2.737 1.00 0.00 N ATOM 1376 CA ILE A 88 6.743 3.326 3.134 1.00 0.00 C ATOM 1377 C ILE A 88 7.520 4.095 2.040 1.00 0.00 C ATOM 1378 O ILE A 88 6.952 4.506 1.019 1.00 0.00 O ATOM 1379 CB ILE A 88 7.400 1.911 3.393 1.00 0.00 C ATOM 1380 CG1 ILE A 88 7.493 1.075 2.077 1.00 0.00 C ATOM 1381 CG2 ILE A 88 6.613 1.129 4.479 1.00 0.00 C ATOM 1382 CD1 ILE A 88 8.172 -0.266 2.231 1.00 0.00 C ATOM 0 H ILE A 88 5.178 2.451 2.041 1.00 0.00 H new ATOM 0 HA ILE A 88 6.789 3.893 4.064 1.00 0.00 H new ATOM 0 HB ILE A 88 8.414 2.081 3.754 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.486 0.916 1.691 1.00 0.00 H new ATOM 0 HG13 ILE A 88 8.032 1.657 1.330 1.00 0.00 H new ATOM 0 HG21 ILE A 88 7.083 0.159 4.641 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.619 1.695 5.411 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.584 0.984 4.149 1.00 0.00 H new ATOM 0 HD11 ILE A 88 8.192 -0.777 1.268 1.00 0.00 H new ATOM 0 HD12 ILE A 88 9.193 -0.119 2.584 1.00 0.00 H new ATOM 0 HD13 ILE A 88 7.622 -0.872 2.952 1.00 0.00 H new ATOM 1394 N ARG A 89 8.826 4.307 2.277 1.00 0.00 N ATOM 1395 CA ARG A 89 9.743 4.942 1.310 1.00 0.00 C ATOM 1396 C ARG A 89 10.949 4.002 1.088 1.00 0.00 C ATOM 1397 O ARG A 89 12.106 4.401 1.292 1.00 0.00 O ATOM 1398 CB ARG A 89 10.225 6.361 1.795 1.00 0.00 C ATOM 1399 CG ARG A 89 9.159 7.492 1.875 1.00 0.00 C ATOM 1400 CD ARG A 89 8.236 7.391 3.104 1.00 0.00 C ATOM 1401 NE ARG A 89 7.441 8.620 3.287 1.00 0.00 N ATOM 1402 CZ ARG A 89 7.230 9.241 4.461 1.00 0.00 C ATOM 1403 NH1 ARG A 89 7.652 8.705 5.606 1.00 0.00 N ATOM 1404 NH2 ARG A 89 6.572 10.393 4.489 1.00 0.00 N ATOM 0 H ARG A 89 9.280 4.041 3.151 1.00 0.00 H new ATOM 0 HA ARG A 89 9.210 5.100 0.372 1.00 0.00 H new ATOM 0 HB2 ARG A 89 10.669 6.246 2.784 1.00 0.00 H new ATOM 0 HB3 ARG A 89 11.019 6.693 1.126 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.667 8.456 1.892 1.00 0.00 H new ATOM 0 HG3 ARG A 89 8.549 7.468 0.972 1.00 0.00 H new ATOM 0 HD2 ARG A 89 7.567 6.538 2.989 1.00 0.00 H new ATOM 0 HD3 ARG A 89 8.835 7.208 3.996 1.00 0.00 H new ATOM 0 HE ARG A 89 7.017 9.032 2.456 1.00 0.00 H new ATOM 0 HH11 ARG A 89 8.143 7.811 5.600 1.00 0.00 H new ATOM 0 HH12 ARG A 89 7.484 9.189 6.488 1.00 0.00 H new ATOM 0 HH21 ARG A 89 6.228 10.805 3.622 1.00 0.00 H new ATOM 0 HH22 ARG A 89 6.410 10.866 5.378 1.00 0.00 H new ATOM 1418 N GLU A 90 10.666 2.737 0.680 1.00 0.00 N ATOM 1419 CA GLU A 90 11.713 1.711 0.423 1.00 0.00 C ATOM 1420 C GLU A 90 12.637 2.217 -0.691 1.00 0.00 C ATOM 1421 O GLU A 90 13.848 2.350 -0.502 1.00 0.00 O ATOM 1422 CB GLU A 90 11.047 0.350 0.045 1.00 0.00 C ATOM 1423 CG GLU A 90 11.921 -0.919 0.228 1.00 0.00 C ATOM 1424 CD GLU A 90 13.037 -1.095 -0.819 1.00 0.00 C ATOM 1425 OE1 GLU A 90 12.755 -1.627 -1.917 1.00 0.00 O ATOM 1426 OE2 GLU A 90 14.201 -0.723 -0.548 1.00 0.00 O ATOM 0 H GLU A 90 9.716 2.401 0.521 1.00 0.00 H new ATOM 0 HA GLU A 90 12.308 1.544 1.321 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.144 0.233 0.645 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.733 0.401 -0.997 1.00 0.00 H new ATOM 0 HG2 GLU A 90 12.374 -0.891 1.219 1.00 0.00 H new ATOM 0 HG3 GLU A 90 11.274 -1.795 0.198 1.00 0.00 H new ATOM 1433 N LEU A 91 12.021 2.502 -1.840 1.00 0.00 N ATOM 1434 CA LEU A 91 12.655 3.192 -2.965 1.00 0.00 C ATOM 1435 C LEU A 91 12.228 4.676 -2.915 1.00 0.00 C ATOM 1436 O LEU A 91 11.976 5.222 -1.831 1.00 0.00 O ATOM 1437 CB LEU A 91 12.187 2.513 -4.290 1.00 0.00 C ATOM 1438 CG LEU A 91 12.433 0.978 -4.416 1.00 0.00 C ATOM 1439 CD1 LEU A 91 11.889 0.440 -5.761 1.00 0.00 C ATOM 1440 CD2 LEU A 91 13.932 0.639 -4.242 1.00 0.00 C ATOM 0 H LEU A 91 11.048 2.254 -2.018 1.00 0.00 H new ATOM 0 HA LEU A 91 13.742 3.134 -2.913 1.00 0.00 H new ATOM 0 HB2 LEU A 91 11.119 2.697 -4.408 1.00 0.00 H new ATOM 0 HB3 LEU A 91 12.689 3.007 -5.121 1.00 0.00 H new ATOM 0 HG LEU A 91 11.887 0.482 -3.613 1.00 0.00 H new ATOM 0 HD11 LEU A 91 12.073 -0.633 -5.825 1.00 0.00 H new ATOM 0 HD12 LEU A 91 10.817 0.629 -5.822 1.00 0.00 H new ATOM 0 HD13 LEU A 91 12.393 0.944 -6.585 1.00 0.00 H new ATOM 0 HD21 LEU A 91 14.075 -0.438 -4.335 1.00 0.00 H new ATOM 0 HD22 LEU A 91 14.512 1.149 -5.011 1.00 0.00 H new ATOM 0 HD23 LEU A 91 14.267 0.966 -3.258 1.00 0.00 H new ATOM 1452 N GLU A 92 12.188 5.336 -4.082 1.00 0.00 N ATOM 1453 CA GLU A 92 11.517 6.637 -4.244 1.00 0.00 C ATOM 1454 C GLU A 92 10.442 6.520 -5.329 1.00 0.00 C ATOM 1455 O GLU A 92 10.592 5.760 -6.298 1.00 0.00 O ATOM 1456 CB GLU A 92 12.541 7.753 -4.609 1.00 0.00 C ATOM 1457 CG GLU A 92 13.515 8.120 -3.473 1.00 0.00 C ATOM 1458 CD GLU A 92 14.480 9.255 -3.849 1.00 0.00 C ATOM 1459 OE1 GLU A 92 14.121 10.435 -3.685 1.00 0.00 O ATOM 1460 OE2 GLU A 92 15.601 8.969 -4.325 1.00 0.00 O ATOM 0 H GLU A 92 12.618 4.986 -4.938 1.00 0.00 H new ATOM 0 HA GLU A 92 11.050 6.913 -3.299 1.00 0.00 H new ATOM 0 HB2 GLU A 92 13.118 7.430 -5.476 1.00 0.00 H new ATOM 0 HB3 GLU A 92 11.994 8.648 -4.905 1.00 0.00 H new ATOM 0 HG2 GLU A 92 12.943 8.414 -2.593 1.00 0.00 H new ATOM 0 HG3 GLU A 92 14.092 7.237 -3.198 1.00 0.00 H new ATOM 1467 N HIS A 93 9.365 7.310 -5.172 1.00 0.00 N ATOM 1468 CA HIS A 93 8.333 7.492 -6.217 1.00 0.00 C ATOM 1469 C HIS A 93 8.706 8.731 -7.078 1.00 0.00 C ATOM 1470 O HIS A 93 7.854 9.411 -7.660 1.00 0.00 O ATOM 1471 CB HIS A 93 6.934 7.624 -5.552 1.00 0.00 C ATOM 1472 CG HIS A 93 5.772 7.467 -6.512 1.00 0.00 C ATOM 1473 ND1 HIS A 93 5.373 6.243 -7.013 1.00 0.00 N ATOM 1474 CD2 HIS A 93 4.919 8.378 -7.054 1.00 0.00 C ATOM 1475 CE1 HIS A 93 4.343 6.413 -7.813 1.00 0.00 C ATOM 1476 NE2 HIS A 93 4.047 7.689 -7.853 1.00 0.00 N ATOM 0 H HIS A 93 9.183 7.841 -4.320 1.00 0.00 H new ATOM 0 HA HIS A 93 8.290 6.626 -6.878 1.00 0.00 H new ATOM 0 HB2 HIS A 93 6.845 6.874 -4.766 1.00 0.00 H new ATOM 0 HB3 HIS A 93 6.864 8.599 -5.071 1.00 0.00 H new ATOM 0 HD1 HIS A 93 5.809 5.347 -6.796 1.00 0.00 H new ATOM 0 HD2 HIS A 93 4.928 9.445 -6.885 1.00 0.00 H new ATOM 0 HE1 HIS A 93 3.826 5.630 -8.349 1.00 0.00 H new ATOM 1485 N HIS A 94 10.019 8.961 -7.189 1.00 0.00 N ATOM 1486 CA HIS A 94 10.621 10.103 -7.866 1.00 0.00 C ATOM 1487 C HIS A 94 11.741 9.568 -8.760 1.00 0.00 C ATOM 1488 O HIS A 94 12.471 8.652 -8.352 1.00 0.00 O ATOM 1489 CB HIS A 94 11.187 11.068 -6.805 1.00 0.00 C ATOM 1490 CG HIS A 94 11.872 12.294 -7.355 1.00 0.00 C ATOM 1491 ND1 HIS A 94 13.182 12.300 -7.788 1.00 0.00 N ATOM 1492 CD2 HIS A 94 11.421 13.559 -7.545 1.00 0.00 C ATOM 1493 CE1 HIS A 94 13.497 13.501 -8.211 1.00 0.00 C ATOM 1494 NE2 HIS A 94 12.449 14.282 -8.079 1.00 0.00 N ATOM 0 H HIS A 94 10.714 8.329 -6.792 1.00 0.00 H new ATOM 0 HA HIS A 94 9.891 10.642 -8.470 1.00 0.00 H new ATOM 0 HB2 HIS A 94 10.372 11.387 -6.155 1.00 0.00 H new ATOM 0 HB3 HIS A 94 11.897 10.523 -6.182 1.00 0.00 H new ATOM 0 HD1 HIS A 94 13.809 11.495 -7.780 1.00 0.00 H new ATOM 0 HD2 HIS A 94 10.432 13.927 -7.316 1.00 0.00 H new ATOM 0 HE1 HIS A 94 14.458 13.798 -8.603 1.00 0.00 H new ATOM 1503 N HIS A 95 11.868 10.146 -9.960 1.00 0.00 N ATOM 1504 CA HIS A 95 12.858 9.723 -10.970 1.00 0.00 C ATOM 1505 C HIS A 95 14.301 9.864 -10.445 1.00 0.00 C ATOM 1506 O HIS A 95 14.652 10.884 -9.854 1.00 0.00 O ATOM 1507 CB HIS A 95 12.693 10.548 -12.280 1.00 0.00 C ATOM 1508 CG HIS A 95 11.449 10.216 -13.075 1.00 0.00 C ATOM 1509 ND1 HIS A 95 11.475 9.881 -14.415 1.00 0.00 N ATOM 1510 CD2 HIS A 95 10.147 10.170 -12.715 1.00 0.00 C ATOM 1511 CE1 HIS A 95 10.249 9.647 -14.832 1.00 0.00 C ATOM 1512 NE2 HIS A 95 9.427 9.812 -13.821 1.00 0.00 N ATOM 0 H HIS A 95 11.285 10.926 -10.264 1.00 0.00 H new ATOM 0 HA HIS A 95 12.673 8.670 -11.183 1.00 0.00 H new ATOM 0 HB2 HIS A 95 12.676 11.608 -12.028 1.00 0.00 H new ATOM 0 HB3 HIS A 95 13.567 10.384 -12.911 1.00 0.00 H new ATOM 0 HD2 HIS A 95 9.748 10.378 -11.733 1.00 0.00 H new ATOM 0 HE1 HIS A 95 9.966 9.367 -15.836 1.00 0.00 H new ATOM 0 HE2 HIS A 95 8.415 9.692 -13.855 1.00 0.00 H new ATOM 1521 N HIS A 96 15.102 8.808 -10.627 1.00 0.00 N ATOM 1522 CA HIS A 96 16.556 8.828 -10.368 1.00 0.00 C ATOM 1523 C HIS A 96 17.301 9.131 -11.668 1.00 0.00 C ATOM 1524 O HIS A 96 16.812 8.810 -12.754 1.00 0.00 O ATOM 1525 CB HIS A 96 17.029 7.462 -9.807 1.00 0.00 C ATOM 1526 CG HIS A 96 16.660 7.192 -8.362 1.00 0.00 C ATOM 1527 ND1 HIS A 96 17.566 6.711 -7.440 1.00 0.00 N ATOM 1528 CD2 HIS A 96 15.490 7.330 -7.683 1.00 0.00 C ATOM 1529 CE1 HIS A 96 16.977 6.564 -6.276 1.00 0.00 C ATOM 1530 NE2 HIS A 96 15.718 6.934 -6.393 1.00 0.00 N ATOM 0 H HIS A 96 14.762 7.906 -10.961 1.00 0.00 H new ATOM 0 HA HIS A 96 16.769 9.602 -9.630 1.00 0.00 H new ATOM 0 HB2 HIS A 96 16.610 6.669 -10.426 1.00 0.00 H new ATOM 0 HB3 HIS A 96 18.113 7.403 -9.905 1.00 0.00 H new ATOM 0 HD1 HIS A 96 18.545 6.501 -7.633 1.00 0.00 H new ATOM 0 HD2 HIS A 96 14.554 7.686 -8.087 1.00 0.00 H new ATOM 0 HE1 HIS A 96 17.446 6.201 -5.374 1.00 0.00 H new ATOM 1539 N HIS A 97 18.493 9.737 -11.555 1.00 0.00 N ATOM 1540 CA HIS A 97 19.357 9.970 -12.717 1.00 0.00 C ATOM 1541 C HIS A 97 20.009 8.641 -13.140 1.00 0.00 C ATOM 1542 O HIS A 97 21.006 8.216 -12.557 1.00 0.00 O ATOM 1543 CB HIS A 97 20.429 11.043 -12.419 1.00 0.00 C ATOM 1544 CG HIS A 97 19.859 12.409 -12.114 1.00 0.00 C ATOM 1545 ND1 HIS A 97 20.114 13.094 -10.944 1.00 0.00 N ATOM 1546 CD2 HIS A 97 19.055 13.222 -12.846 1.00 0.00 C ATOM 1547 CE1 HIS A 97 19.492 14.255 -10.972 1.00 0.00 C ATOM 1548 NE2 HIS A 97 18.844 14.354 -12.108 1.00 0.00 N ATOM 0 H HIS A 97 18.878 10.073 -10.672 1.00 0.00 H new ATOM 0 HA HIS A 97 18.747 10.349 -13.537 1.00 0.00 H new ATOM 0 HB2 HIS A 97 21.032 10.715 -11.573 1.00 0.00 H new ATOM 0 HB3 HIS A 97 21.098 11.122 -13.276 1.00 0.00 H new ATOM 0 HD2 HIS A 97 18.656 13.014 -13.828 1.00 0.00 H new ATOM 0 HE1 HIS A 97 19.512 15.000 -10.191 1.00 0.00 H new ATOM 0 HE2 HIS A 97 18.273 15.149 -12.395 1.00 0.00 H new ATOM 1557 N HIS A 98 19.380 7.965 -14.109 1.00 0.00 N ATOM 1558 CA HIS A 98 19.883 6.707 -14.688 1.00 0.00 C ATOM 1559 C HIS A 98 20.975 7.010 -15.742 1.00 0.00 C ATOM 1560 O HIS A 98 22.159 6.718 -15.489 1.00 0.00 O ATOM 1561 CB HIS A 98 18.714 5.881 -15.305 1.00 0.00 C ATOM 1562 CG HIS A 98 17.854 5.142 -14.305 1.00 0.00 C ATOM 1563 ND1 HIS A 98 17.379 3.861 -14.518 1.00 0.00 N ATOM 1564 CD2 HIS A 98 17.379 5.510 -13.090 1.00 0.00 C ATOM 1565 CE1 HIS A 98 16.658 3.479 -13.479 1.00 0.00 C ATOM 1566 NE2 HIS A 98 16.646 4.461 -12.603 1.00 0.00 N ATOM 1567 OXT HIS A 98 20.646 7.580 -16.805 1.00 0.00 O ATOM 0 H HIS A 98 18.499 8.276 -14.519 1.00 0.00 H new ATOM 0 HA HIS A 98 20.330 6.105 -13.896 1.00 0.00 H new ATOM 0 HB2 HIS A 98 18.078 6.554 -15.880 1.00 0.00 H new ATOM 0 HB3 HIS A 98 19.131 5.158 -16.007 1.00 0.00 H new ATOM 0 HD2 HIS A 98 17.548 6.456 -12.597 1.00 0.00 H new ATOM 0 HE1 HIS A 98 16.164 2.525 -13.368 1.00 0.00 H new ATOM 0 HE2 HIS A 98 16.166 4.443 -11.703 1.00 0.00 H new TER 1576 HIS A 98