USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 965 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 17 GLN : amide:sc= 1.01 K(o=2.1,f=-5.2!) USER MOD Set 1.2: A 45 SER OG : rot 110:sc= -0.0238 USER MOD Set 1.3: A 91 LYS NZ :NH3+ -175:sc= 1.1 (180deg=-0.155) USER MOD Set 2.1: A 51 TYR OH : rot 44:sc= 0.796 USER MOD Set 2.2: A 55 SER OG : rot 175:sc= 1.59 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= -0.0052 (180deg=-0.152) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-0.084) USER MOD Single : A 26 LYS NZ :NH3+ 176:sc= 1.28 (180deg=1.21) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.211 K(o=-0.21,f=-1.6) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 45:sc= 0.393 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.075 USER MOD Single : A 47 SER OG : rot 69:sc= 0.133 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc=-0.00796 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot -78:sc= 0.191 USER MOD Single : A 63 ASN : amide:sc= -3.63 K(o=-3.6,f=-0.61) USER MOD Single : A 66 GLN : amide:sc= -2.61! K(o=-2.6!,f=-0.36) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0162 USER MOD Single : A 73 THR OG1 : rot 72:sc= 1.17 USER MOD Single : A 77 GLN : amide:sc= -0.0519 K(o=-0.052,f=-3!) USER MOD Single : A 79 GLN : amide:sc= -5.76! C(o=-5.8!,f=-7.6!) USER MOD Single : A 85 SER OG : rot 41:sc= 0.237 USER MOD Single : A 89 LYS NZ :NH3+ -108:sc= 2.25 (180deg=-0.261) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -28:sc= 0.301 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -154:sc= 2.33 (180deg=1.53) USER MOD Single : A 111 GLN : amide:sc= -4.85! C(o=-4.8!,f=-5.8!) USER MOD Single : A 113 LYS NZ :NH3+ 130:sc= 1.23 (180deg=0.55) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.815 -11.265 16.258 1.00 16.25 N ATOM 2 CA MET A 1 17.631 -12.683 15.871 1.00 15.99 C ATOM 3 C MET A 1 16.187 -12.974 15.452 1.00 15.41 C ATOM 4 O MET A 1 15.936 -13.899 14.681 1.00 15.45 O ATOM 5 CB MET A 1 18.022 -13.566 17.053 1.00 16.51 C ATOM 6 CG MET A 1 17.984 -15.043 16.736 1.00 16.79 C ATOM 7 SD MET A 1 18.448 -16.082 18.132 1.00 17.24 S ATOM 8 CE MET A 1 18.323 -17.693 17.362 1.00 17.83 C ATOM 0 H1 MET A 1 18.830 -11.060 16.355 1.00 16.25 H new ATOM 0 H2 MET A 1 17.406 -10.650 15.526 1.00 16.25 H new ATOM 0 H3 MET A 1 17.338 -11.088 17.165 1.00 16.25 H new ATOM 0 HA MET A 1 18.266 -12.896 15.011 1.00 15.99 H new ATOM 0 HB2 MET A 1 19.026 -13.298 17.381 1.00 16.51 H new ATOM 0 HB3 MET A 1 17.350 -13.363 17.887 1.00 16.51 H new ATOM 0 HG2 MET A 1 16.979 -15.312 16.410 1.00 16.79 H new ATOM 0 HG3 MET A 1 18.655 -15.246 15.902 1.00 16.79 H new ATOM 0 HE1 MET A 1 18.578 -18.464 18.089 1.00 17.83 H new ATOM 0 HE2 MET A 1 17.304 -17.850 17.010 1.00 17.83 H new ATOM 0 HE3 MET A 1 19.011 -17.747 16.518 1.00 17.83 H new ATOM 20 N GLY A 2 15.246 -12.196 15.990 1.00 15.02 N ATOM 21 CA GLY A 2 13.848 -12.393 15.683 1.00 14.60 C ATOM 22 C GLY A 2 13.507 -12.135 14.222 1.00 13.81 C ATOM 23 O GLY A 2 13.519 -13.057 13.405 1.00 13.66 O ATOM 0 H GLY A 2 15.436 -11.430 16.636 1.00 15.02 H new ATOM 0 HA2 GLY A 2 13.568 -13.415 15.939 1.00 14.60 H new ATOM 0 HA3 GLY A 2 13.249 -11.732 16.310 1.00 14.60 H new ATOM 27 N ASP A 3 13.202 -10.882 13.893 1.00 13.48 N ATOM 28 CA ASP A 3 12.863 -10.508 12.522 1.00 12.89 C ATOM 29 C ASP A 3 13.417 -9.126 12.200 1.00 12.18 C ATOM 30 O ASP A 3 13.011 -8.122 12.794 1.00 12.23 O ATOM 31 CB ASP A 3 11.348 -10.528 12.287 1.00 13.20 C ATOM 32 CG ASP A 3 10.998 -10.338 10.827 1.00 13.55 C ATOM 33 OD1 ASP A 3 11.146 -9.209 10.308 1.00 13.96 O ATOM 34 OD2 ASP A 3 10.584 -11.320 10.183 1.00 13.59 O ATOM 0 H ASP A 3 13.183 -10.108 14.557 1.00 13.48 H new ATOM 0 HA ASP A 3 13.316 -11.245 11.859 1.00 12.89 H new ATOM 0 HB2 ASP A 3 10.939 -11.476 12.637 1.00 13.20 H new ATOM 0 HB3 ASP A 3 10.879 -9.741 12.878 1.00 13.20 H new ATOM 39 N THR A 4 14.352 -9.078 11.262 1.00 11.73 N ATOM 40 CA THR A 4 14.973 -7.821 10.863 1.00 11.23 C ATOM 41 C THR A 4 14.593 -7.497 9.419 1.00 10.51 C ATOM 42 O THR A 4 15.444 -7.223 8.569 1.00 10.53 O ATOM 43 CB THR A 4 16.491 -7.919 11.020 1.00 11.64 C ATOM 44 OG1 THR A 4 16.818 -8.929 11.956 1.00 12.39 O ATOM 45 CG2 THR A 4 17.133 -6.637 11.492 1.00 11.87 C ATOM 0 H THR A 4 14.699 -9.896 10.761 1.00 11.73 H new ATOM 0 HA THR A 4 14.615 -7.016 11.504 1.00 11.23 H new ATOM 0 HB THR A 4 16.875 -8.147 10.026 1.00 11.64 H new ATOM 0 HG1 THR A 4 17.792 -8.986 12.049 1.00 12.39 H new ATOM 0 HG21 THR A 4 18.210 -6.781 11.581 1.00 11.87 H new ATOM 0 HG22 THR A 4 16.931 -5.843 10.773 1.00 11.87 H new ATOM 0 HG23 THR A 4 16.723 -6.361 12.463 1.00 11.87 H new ATOM 53 N GLY A 5 13.305 -7.563 9.157 1.00 10.10 N ATOM 54 CA GLY A 5 12.790 -7.307 7.831 1.00 9.63 C ATOM 55 C GLY A 5 12.524 -5.847 7.548 1.00 9.04 C ATOM 56 O GLY A 5 12.234 -5.485 6.408 1.00 9.05 O ATOM 0 H GLY A 5 12.593 -7.793 9.850 1.00 10.10 H new ATOM 0 HA2 GLY A 5 13.501 -7.685 7.097 1.00 9.63 H new ATOM 0 HA3 GLY A 5 11.865 -7.867 7.697 1.00 9.63 H new ATOM 60 N LYS A 6 12.625 -4.987 8.551 1.00 8.78 N ATOM 61 CA LYS A 6 12.384 -3.564 8.338 1.00 8.49 C ATOM 62 C LYS A 6 13.622 -2.880 7.750 1.00 7.56 C ATOM 63 O LYS A 6 13.950 -1.734 8.069 1.00 7.43 O ATOM 64 CB LYS A 6 11.935 -2.895 9.636 1.00 9.13 C ATOM 65 CG LYS A 6 10.526 -3.298 10.061 1.00 9.99 C ATOM 66 CD LYS A 6 10.047 -2.536 11.283 1.00 10.66 C ATOM 67 CE LYS A 6 8.638 -2.962 11.672 1.00 11.46 C ATOM 68 NZ LYS A 6 8.158 -2.231 12.864 1.00 11.90 N ATOM 0 H LYS A 6 12.869 -5.242 9.508 1.00 8.78 H new ATOM 0 HA LYS A 6 11.578 -3.456 7.612 1.00 8.49 H new ATOM 0 HB2 LYS A 6 12.635 -3.152 10.431 1.00 9.13 H new ATOM 0 HB3 LYS A 6 11.975 -1.813 9.513 1.00 9.13 H new ATOM 0 HG2 LYS A 6 9.837 -3.123 9.235 1.00 9.99 H new ATOM 0 HG3 LYS A 6 10.506 -4.367 10.272 1.00 9.99 H new ATOM 0 HD2 LYS A 6 10.727 -2.712 12.116 1.00 10.66 H new ATOM 0 HD3 LYS A 6 10.064 -1.465 11.079 1.00 10.66 H new ATOM 0 HE2 LYS A 6 7.960 -2.783 10.838 1.00 11.46 H new ATOM 0 HE3 LYS A 6 8.623 -4.034 11.871 1.00 11.46 H new ATOM 0 HZ1 LYS A 6 7.196 -2.546 13.100 1.00 11.90 H new ATOM 0 HZ2 LYS A 6 8.792 -2.421 13.666 1.00 11.90 H new ATOM 0 HZ3 LYS A 6 8.149 -1.210 12.665 1.00 11.90 H new ATOM 82 N LEU A 7 14.278 -3.595 6.851 1.00 7.18 N ATOM 83 CA LEU A 7 15.446 -3.094 6.156 1.00 6.55 C ATOM 84 C LEU A 7 15.093 -2.971 4.685 1.00 5.97 C ATOM 85 O LEU A 7 15.102 -3.950 3.940 1.00 6.20 O ATOM 86 CB LEU A 7 16.670 -3.996 6.372 1.00 7.03 C ATOM 87 CG LEU A 7 17.468 -3.724 7.643 1.00 7.64 C ATOM 88 CD1 LEU A 7 17.905 -2.261 7.687 1.00 8.38 C ATOM 89 CD2 LEU A 7 16.678 -4.091 8.886 1.00 7.67 C ATOM 0 H LEU A 7 14.012 -4.543 6.584 1.00 7.18 H new ATOM 0 HA LEU A 7 15.723 -2.118 6.555 1.00 6.55 H new ATOM 0 HB2 LEU A 7 16.337 -5.034 6.388 1.00 7.03 H new ATOM 0 HB3 LEU A 7 17.335 -3.888 5.516 1.00 7.03 H new ATOM 0 HG LEU A 7 18.357 -4.355 7.626 1.00 7.64 H new ATOM 0 HD11 LEU A 7 18.474 -2.078 8.599 1.00 8.38 H new ATOM 0 HD12 LEU A 7 18.528 -2.041 6.820 1.00 8.38 H new ATOM 0 HD13 LEU A 7 17.025 -1.618 7.674 1.00 8.38 H new ATOM 0 HD21 LEU A 7 17.278 -3.884 9.772 1.00 7.67 H new ATOM 0 HD22 LEU A 7 15.762 -3.502 8.922 1.00 7.67 H new ATOM 0 HD23 LEU A 7 16.427 -5.151 8.857 1.00 7.67 H new ATOM 101 N GLY A 8 14.688 -1.771 4.309 1.00 5.56 N ATOM 102 CA GLY A 8 14.222 -1.514 2.968 1.00 5.28 C ATOM 103 C GLY A 8 12.736 -1.204 3.050 1.00 4.37 C ATOM 104 O GLY A 8 12.194 -0.384 2.305 1.00 4.43 O ATOM 0 H GLY A 8 14.675 -0.956 4.923 1.00 5.56 H new ATOM 0 HA2 GLY A 8 14.764 -0.677 2.528 1.00 5.28 H new ATOM 0 HA3 GLY A 8 14.398 -2.379 2.329 1.00 5.28 H new ATOM 108 N ARG A 9 12.100 -1.830 4.034 1.00 3.85 N ATOM 109 CA ARG A 9 10.698 -1.617 4.322 1.00 3.14 C ATOM 110 C ARG A 9 10.605 -0.460 5.313 1.00 2.98 C ATOM 111 O ARG A 9 10.281 -0.634 6.486 1.00 3.23 O ATOM 112 CB ARG A 9 10.065 -2.906 4.871 1.00 2.97 C ATOM 113 CG ARG A 9 10.253 -4.096 3.928 1.00 3.11 C ATOM 114 CD ARG A 9 9.765 -5.419 4.510 1.00 3.35 C ATOM 115 NE ARG A 9 10.203 -6.555 3.682 1.00 3.78 N ATOM 116 CZ ARG A 9 9.671 -6.892 2.509 1.00 4.27 C ATOM 117 NH1 ARG A 9 8.422 -6.547 2.226 1.00 4.46 N ATOM 118 NH2 ARG A 9 10.251 -7.853 1.797 1.00 4.95 N ATOM 0 H ARG A 9 12.551 -2.502 4.654 1.00 3.85 H new ATOM 0 HA ARG A 9 10.143 -1.363 3.419 1.00 3.14 H new ATOM 0 HB2 ARG A 9 10.507 -3.140 5.840 1.00 2.97 H new ATOM 0 HB3 ARG A 9 9.000 -2.742 5.037 1.00 2.97 H new ATOM 0 HG2 ARG A 9 9.720 -3.899 2.998 1.00 3.11 H new ATOM 0 HG3 ARG A 9 11.310 -4.187 3.677 1.00 3.11 H new ATOM 0 HD2 ARG A 9 10.146 -5.536 5.525 1.00 3.35 H new ATOM 0 HD3 ARG A 9 8.677 -5.411 4.577 1.00 3.35 H new ATOM 0 HE ARG A 9 10.971 -7.126 4.033 1.00 3.78 H new ATOM 0 HH11 ARG A 9 7.871 -6.024 2.907 1.00 4.46 H new ATOM 0 HH12 ARG A 9 8.013 -6.804 1.328 1.00 4.46 H new ATOM 0 HH21 ARG A 9 11.087 -8.317 2.152 1.00 4.95 H new ATOM 0 HH22 ARG A 9 9.860 -8.127 0.896 1.00 4.95 H new ATOM 132 N ILE A 10 10.968 0.719 4.809 1.00 2.78 N ATOM 133 CA ILE A 10 11.012 1.952 5.600 1.00 2.70 C ATOM 134 C ILE A 10 9.647 2.376 6.173 1.00 2.20 C ATOM 135 O ILE A 10 9.569 2.852 7.309 1.00 2.49 O ATOM 136 CB ILE A 10 11.608 3.090 4.750 1.00 2.80 C ATOM 137 CG1 ILE A 10 11.609 4.419 5.509 1.00 2.80 C ATOM 138 CG2 ILE A 10 10.864 3.209 3.439 1.00 2.55 C ATOM 139 CD1 ILE A 10 12.258 5.551 4.738 1.00 3.25 C ATOM 0 H ILE A 10 11.242 0.848 3.835 1.00 2.78 H new ATOM 0 HA ILE A 10 11.646 1.745 6.462 1.00 2.70 H new ATOM 0 HB ILE A 10 12.648 2.843 4.536 1.00 2.80 H new ATOM 0 HG12 ILE A 10 10.581 4.694 5.747 1.00 2.80 H new ATOM 0 HG13 ILE A 10 12.132 4.288 6.456 1.00 2.80 H new ATOM 0 HG21 ILE A 10 11.295 4.017 2.848 1.00 2.55 H new ATOM 0 HG22 ILE A 10 10.946 2.272 2.888 1.00 2.55 H new ATOM 0 HG23 ILE A 10 9.813 3.424 3.635 1.00 2.55 H new ATOM 0 HD11 ILE A 10 12.224 6.463 5.334 1.00 3.25 H new ATOM 0 HD12 ILE A 10 13.296 5.296 4.522 1.00 3.25 H new ATOM 0 HD13 ILE A 10 11.721 5.709 3.803 1.00 3.25 H new ATOM 151 N ILE A 11 8.582 2.223 5.398 1.00 1.98 N ATOM 152 CA ILE A 11 7.268 2.620 5.863 1.00 1.56 C ATOM 153 C ILE A 11 6.574 1.490 6.626 1.00 1.31 C ATOM 154 O ILE A 11 6.880 1.261 7.798 1.00 1.71 O ATOM 155 CB ILE A 11 6.377 3.161 4.714 1.00 1.37 C ATOM 156 CG1 ILE A 11 7.170 4.170 3.884 1.00 1.94 C ATOM 157 CG2 ILE A 11 5.131 3.811 5.298 1.00 1.05 C ATOM 158 CD1 ILE A 11 6.395 4.745 2.706 1.00 2.05 C ATOM 0 H ILE A 11 8.604 1.831 4.456 1.00 1.98 H new ATOM 0 HA ILE A 11 7.418 3.443 6.561 1.00 1.56 H new ATOM 0 HB ILE A 11 6.071 2.339 4.067 1.00 1.37 H new ATOM 0 HG12 ILE A 11 7.488 4.988 4.531 1.00 1.94 H new ATOM 0 HG13 ILE A 11 8.074 3.688 3.511 1.00 1.94 H new ATOM 0 HG21 ILE A 11 4.506 4.191 4.490 1.00 1.05 H new ATOM 0 HG22 ILE A 11 4.572 3.073 5.874 1.00 1.05 H new ATOM 0 HG23 ILE A 11 5.422 4.635 5.949 1.00 1.05 H new ATOM 0 HD11 ILE A 11 7.025 5.452 2.167 1.00 2.05 H new ATOM 0 HD12 ILE A 11 6.100 3.938 2.036 1.00 2.05 H new ATOM 0 HD13 ILE A 11 5.505 5.257 3.071 1.00 2.05 H new ATOM 170 N ARG A 12 5.649 0.788 5.976 1.00 0.96 N ATOM 171 CA ARG A 12 4.930 -0.299 6.628 1.00 1.02 C ATOM 172 C ARG A 12 4.380 -1.318 5.623 1.00 0.77 C ATOM 173 O ARG A 12 4.463 -1.125 4.415 1.00 0.91 O ATOM 174 CB ARG A 12 3.768 0.258 7.442 1.00 1.53 C ATOM 175 CG ARG A 12 3.555 -0.483 8.747 1.00 2.10 C ATOM 176 CD ARG A 12 2.116 -0.924 8.870 1.00 2.67 C ATOM 177 NE ARG A 12 1.831 -1.574 10.145 1.00 3.29 N ATOM 178 CZ ARG A 12 1.921 -0.980 11.332 1.00 3.98 C ATOM 179 NH1 ARG A 12 2.011 0.339 11.405 1.00 4.30 N ATOM 180 NH2 ARG A 12 1.614 -1.664 12.424 1.00 4.72 N ATOM 0 H ARG A 12 5.382 0.952 5.005 1.00 0.96 H new ATOM 0 HA ARG A 12 5.644 -0.807 7.275 1.00 1.02 H new ATOM 0 HB2 ARG A 12 3.951 1.311 7.654 1.00 1.53 H new ATOM 0 HB3 ARG A 12 2.856 0.206 6.847 1.00 1.53 H new ATOM 0 HG2 ARG A 12 4.213 -1.350 8.792 1.00 2.10 H new ATOM 0 HG3 ARG A 12 3.818 0.161 9.586 1.00 2.10 H new ATOM 0 HD2 ARG A 12 1.464 -0.058 8.755 1.00 2.67 H new ATOM 0 HD3 ARG A 12 1.880 -1.610 8.057 1.00 2.67 H new ATOM 0 HE ARG A 12 1.543 -2.552 10.125 1.00 3.29 H new ATOM 0 HH11 ARG A 12 2.011 0.898 10.552 1.00 4.30 H new ATOM 0 HH12 ARG A 12 2.080 0.796 12.314 1.00 4.30 H new ATOM 0 HH21 ARG A 12 1.312 -2.636 12.349 1.00 4.72 H new ATOM 0 HH22 ARG A 12 1.679 -1.219 13.340 1.00 4.72 H new ATOM 194 N HIS A 13 3.782 -2.383 6.157 1.00 0.70 N ATOM 195 CA HIS A 13 3.160 -3.443 5.361 1.00 0.68 C ATOM 196 C HIS A 13 1.954 -3.972 6.122 1.00 0.74 C ATOM 197 O HIS A 13 1.977 -4.004 7.354 1.00 1.04 O ATOM 198 CB HIS A 13 4.150 -4.580 5.075 1.00 0.93 C ATOM 199 CG HIS A 13 4.822 -5.176 6.287 1.00 1.07 C ATOM 200 ND1 HIS A 13 5.629 -6.283 6.209 1.00 1.69 N ATOM 201 CD2 HIS A 13 4.821 -4.814 7.597 1.00 1.46 C ATOM 202 CE1 HIS A 13 6.088 -6.577 7.409 1.00 1.98 C ATOM 203 NE2 HIS A 13 5.615 -5.699 8.263 1.00 1.80 N ATOM 0 H HIS A 13 3.715 -2.536 7.163 1.00 0.70 H new ATOM 0 HA HIS A 13 2.849 -3.034 4.400 1.00 0.68 H new ATOM 0 HB2 HIS A 13 3.622 -5.374 4.547 1.00 0.93 H new ATOM 0 HB3 HIS A 13 4.921 -4.206 4.401 1.00 0.93 H new ATOM 0 HD2 HIS A 13 4.289 -3.980 8.030 1.00 1.46 H new ATOM 0 HE1 HIS A 13 6.743 -7.401 7.649 1.00 1.98 H new ATOM 0 HE2 HIS A 13 5.810 -5.682 9.264 1.00 1.80 H new ATOM 212 N ASP A 14 0.901 -4.368 5.421 1.00 0.60 N ATOM 213 CA ASP A 14 -0.281 -4.873 6.092 1.00 0.69 C ATOM 214 C ASP A 14 -1.092 -5.743 5.144 1.00 0.61 C ATOM 215 O ASP A 14 -1.047 -5.556 3.925 1.00 0.86 O ATOM 216 CB ASP A 14 -1.145 -3.722 6.623 1.00 0.83 C ATOM 217 CG ASP A 14 -1.889 -4.104 7.880 1.00 1.31 C ATOM 218 OD1 ASP A 14 -1.857 -5.294 8.263 1.00 1.78 O ATOM 219 OD2 ASP A 14 -2.510 -3.220 8.488 1.00 2.03 O ATOM 0 H ASP A 14 0.843 -4.349 4.403 1.00 0.60 H new ATOM 0 HA ASP A 14 0.041 -5.477 6.940 1.00 0.69 H new ATOM 0 HB2 ASP A 14 -0.512 -2.858 6.825 1.00 0.83 H new ATOM 0 HB3 ASP A 14 -1.859 -3.422 5.856 1.00 0.83 H new ATOM 224 N ALA A 15 -1.821 -6.698 5.697 1.00 0.75 N ATOM 225 CA ALA A 15 -2.637 -7.598 4.897 1.00 0.71 C ATOM 226 C ALA A 15 -4.079 -7.102 4.823 1.00 0.68 C ATOM 227 O ALA A 15 -4.813 -7.136 5.815 1.00 0.88 O ATOM 228 CB ALA A 15 -2.600 -8.999 5.478 1.00 0.84 C ATOM 0 H ALA A 15 -1.865 -6.871 6.701 1.00 0.75 H new ATOM 0 HA ALA A 15 -2.227 -7.621 3.887 1.00 0.71 H new ATOM 0 HB1 ALA A 15 -3.215 -9.662 4.869 1.00 0.84 H new ATOM 0 HB2 ALA A 15 -1.572 -9.363 5.486 1.00 0.84 H new ATOM 0 HB3 ALA A 15 -2.986 -8.981 6.497 1.00 0.84 H new ATOM 234 N PHE A 16 -4.477 -6.642 3.649 1.00 0.60 N ATOM 235 CA PHE A 16 -5.827 -6.136 3.429 1.00 0.67 C ATOM 236 C PHE A 16 -6.618 -7.092 2.532 1.00 0.68 C ATOM 237 O PHE A 16 -6.048 -7.854 1.755 1.00 1.00 O ATOM 238 CB PHE A 16 -5.755 -4.755 2.773 1.00 0.77 C ATOM 239 CG PHE A 16 -5.129 -3.698 3.633 1.00 1.09 C ATOM 240 CD1 PHE A 16 -5.161 -3.781 5.014 1.00 1.74 C ATOM 241 CD2 PHE A 16 -4.521 -2.607 3.049 1.00 1.83 C ATOM 242 CE1 PHE A 16 -4.577 -2.796 5.780 1.00 2.26 C ATOM 243 CE2 PHE A 16 -3.944 -1.622 3.818 1.00 2.36 C ATOM 244 CZ PHE A 16 -3.968 -1.725 5.181 1.00 2.35 C ATOM 0 H PHE A 16 -3.879 -6.607 2.823 1.00 0.60 H new ATOM 0 HA PHE A 16 -6.335 -6.059 4.390 1.00 0.67 H new ATOM 0 HB2 PHE A 16 -5.189 -4.835 1.845 1.00 0.77 H new ATOM 0 HB3 PHE A 16 -6.763 -4.439 2.505 1.00 0.77 H new ATOM 0 HD1 PHE A 16 -5.645 -4.620 5.492 1.00 1.74 H new ATOM 0 HD2 PHE A 16 -4.497 -2.524 1.972 1.00 1.83 H new ATOM 0 HE1 PHE A 16 -4.599 -2.868 6.857 1.00 2.26 H new ATOM 0 HE2 PHE A 16 -3.474 -0.771 3.347 1.00 2.36 H new ATOM 0 HZ PHE A 16 -3.506 -0.960 5.787 1.00 2.35 H new ATOM 254 N GLN A 17 -7.923 -7.028 2.629 1.00 0.59 N ATOM 255 CA GLN A 17 -8.796 -7.856 1.819 1.00 0.60 C ATOM 256 C GLN A 17 -10.048 -7.054 1.556 1.00 0.64 C ATOM 257 O GLN A 17 -11.095 -7.279 2.147 1.00 0.95 O ATOM 258 CB GLN A 17 -9.108 -9.171 2.539 1.00 0.74 C ATOM 259 CG GLN A 17 -10.016 -10.093 1.748 1.00 1.07 C ATOM 260 CD GLN A 17 -10.497 -11.288 2.552 1.00 1.26 C ATOM 261 OE1 GLN A 17 -11.028 -11.133 3.655 1.00 1.81 O ATOM 262 NE2 GLN A 17 -10.355 -12.473 1.991 1.00 1.63 N ATOM 0 H GLN A 17 -8.414 -6.403 3.269 1.00 0.59 H new ATOM 0 HA GLN A 17 -8.320 -8.125 0.876 1.00 0.60 H new ATOM 0 HB2 GLN A 17 -8.173 -9.690 2.752 1.00 0.74 H new ATOM 0 HB3 GLN A 17 -9.576 -8.949 3.498 1.00 0.74 H new ATOM 0 HG2 GLN A 17 -10.879 -9.528 1.395 1.00 1.07 H new ATOM 0 HG3 GLN A 17 -9.484 -10.447 0.865 1.00 1.07 H new ATOM 0 HE21 GLN A 17 -9.910 -12.554 1.077 1.00 1.63 H new ATOM 0 HE22 GLN A 17 -10.691 -13.308 2.471 1.00 1.63 H new ATOM 271 N VAL A 18 -9.883 -6.052 0.723 1.00 0.51 N ATOM 272 CA VAL A 18 -10.939 -5.114 0.431 1.00 0.59 C ATOM 273 C VAL A 18 -11.054 -4.831 -1.067 1.00 0.60 C ATOM 274 O VAL A 18 -10.083 -4.936 -1.819 1.00 1.04 O ATOM 275 CB VAL A 18 -10.657 -3.822 1.238 1.00 0.83 C ATOM 276 CG1 VAL A 18 -9.173 -3.510 1.192 1.00 0.84 C ATOM 277 CG2 VAL A 18 -11.486 -2.636 0.774 1.00 1.24 C ATOM 0 H VAL A 18 -9.011 -5.865 0.229 1.00 0.51 H new ATOM 0 HA VAL A 18 -11.900 -5.536 0.725 1.00 0.59 H new ATOM 0 HB VAL A 18 -10.959 -4.005 2.269 1.00 0.83 H new ATOM 0 HG11 VAL A 18 -8.975 -2.601 1.760 1.00 0.84 H new ATOM 0 HG12 VAL A 18 -8.613 -4.338 1.626 1.00 0.84 H new ATOM 0 HG13 VAL A 18 -8.863 -3.366 0.157 1.00 0.84 H new ATOM 0 HG21 VAL A 18 -11.242 -1.763 1.379 1.00 1.24 H new ATOM 0 HG22 VAL A 18 -11.266 -2.426 -0.273 1.00 1.24 H new ATOM 0 HG23 VAL A 18 -12.545 -2.868 0.883 1.00 1.24 H new ATOM 287 N TRP A 19 -12.279 -4.511 -1.464 1.00 0.63 N ATOM 288 CA TRP A 19 -12.661 -4.220 -2.840 1.00 0.65 C ATOM 289 C TRP A 19 -11.587 -3.429 -3.583 1.00 0.68 C ATOM 290 O TRP A 19 -11.248 -2.308 -3.210 1.00 1.04 O ATOM 291 CB TRP A 19 -13.977 -3.440 -2.832 1.00 0.72 C ATOM 292 CG TRP A 19 -15.038 -4.028 -1.933 1.00 0.75 C ATOM 293 CD1 TRP A 19 -15.927 -5.018 -2.245 1.00 0.83 C ATOM 294 CD2 TRP A 19 -15.289 -3.684 -0.562 1.00 0.78 C ATOM 295 NE1 TRP A 19 -16.747 -5.276 -1.168 1.00 0.90 N ATOM 296 CE2 TRP A 19 -16.367 -4.473 -0.120 1.00 0.87 C ATOM 297 CE3 TRP A 19 -14.715 -2.775 0.329 1.00 0.79 C ATOM 298 CZ2 TRP A 19 -16.875 -4.378 1.173 1.00 0.95 C ATOM 299 CZ3 TRP A 19 -15.216 -2.688 1.611 1.00 0.89 C ATOM 300 CH2 TRP A 19 -16.291 -3.485 2.023 1.00 0.96 C ATOM 0 H TRP A 19 -13.062 -4.445 -0.813 1.00 0.63 H new ATOM 0 HA TRP A 19 -12.781 -5.166 -3.368 1.00 0.65 H new ATOM 0 HB2 TRP A 19 -13.777 -2.415 -2.518 1.00 0.72 H new ATOM 0 HB3 TRP A 19 -14.364 -3.392 -3.850 1.00 0.72 H new ATOM 0 HD1 TRP A 19 -15.979 -5.525 -3.197 1.00 0.83 H new ATOM 0 HE1 TRP A 19 -17.511 -5.952 -1.152 1.00 0.90 H new ATOM 0 HE3 TRP A 19 -13.891 -2.149 0.019 1.00 0.79 H new ATOM 0 HZ2 TRP A 19 -17.704 -4.991 1.493 1.00 0.95 H new ATOM 0 HZ3 TRP A 19 -14.772 -1.994 2.309 1.00 0.89 H new ATOM 0 HH2 TRP A 19 -16.665 -3.391 3.032 1.00 0.96 H new ATOM 311 N GLU A 20 -11.063 -4.028 -4.649 1.00 0.69 N ATOM 312 CA GLU A 20 -10.022 -3.400 -5.453 1.00 0.77 C ATOM 313 C GLU A 20 -10.639 -2.533 -6.541 1.00 1.18 C ATOM 314 O GLU A 20 -10.079 -2.332 -7.613 1.00 1.81 O ATOM 315 CB GLU A 20 -9.149 -4.487 -6.080 1.00 1.04 C ATOM 316 CG GLU A 20 -7.923 -3.970 -6.793 1.00 1.26 C ATOM 317 CD GLU A 20 -7.137 -5.075 -7.448 1.00 1.90 C ATOM 318 OE1 GLU A 20 -7.566 -6.244 -7.380 1.00 2.62 O ATOM 319 OE2 GLU A 20 -6.068 -4.784 -8.014 1.00 2.42 O ATOM 0 H GLU A 20 -11.345 -4.952 -4.976 1.00 0.69 H new ATOM 0 HA GLU A 20 -9.411 -2.762 -4.814 1.00 0.77 H new ATOM 0 HB2 GLU A 20 -8.835 -5.179 -5.299 1.00 1.04 H new ATOM 0 HB3 GLU A 20 -9.752 -5.057 -6.787 1.00 1.04 H new ATOM 0 HG2 GLU A 20 -8.223 -3.243 -7.548 1.00 1.26 H new ATOM 0 HG3 GLU A 20 -7.285 -3.445 -6.082 1.00 1.26 H new ATOM 326 N GLY A 21 -11.820 -2.042 -6.254 1.00 1.49 N ATOM 327 CA GLY A 21 -12.547 -1.209 -7.206 1.00 1.95 C ATOM 328 C GLY A 21 -12.961 -1.976 -8.451 1.00 2.05 C ATOM 329 O GLY A 21 -13.578 -1.425 -9.358 1.00 2.48 O ATOM 0 H GLY A 21 -12.306 -2.200 -5.371 1.00 1.49 H new ATOM 0 HA2 GLY A 21 -13.434 -0.800 -6.723 1.00 1.95 H new ATOM 0 HA3 GLY A 21 -11.923 -0.363 -7.495 1.00 1.95 H new ATOM 333 N ASP A 22 -12.623 -3.252 -8.481 1.00 2.34 N ATOM 334 CA ASP A 22 -12.941 -4.130 -9.595 1.00 2.75 C ATOM 335 C ASP A 22 -14.348 -4.685 -9.408 1.00 2.43 C ATOM 336 O ASP A 22 -14.858 -5.388 -10.276 1.00 2.85 O ATOM 337 CB ASP A 22 -11.926 -5.279 -9.634 1.00 3.62 C ATOM 338 CG ASP A 22 -11.967 -6.082 -10.914 1.00 4.19 C ATOM 339 OD1 ASP A 22 -12.536 -5.594 -11.916 1.00 4.60 O ATOM 340 OD2 ASP A 22 -11.387 -7.190 -10.942 1.00 4.65 O ATOM 0 H ASP A 22 -12.115 -3.714 -7.726 1.00 2.34 H new ATOM 0 HA ASP A 22 -12.895 -3.577 -10.533 1.00 2.75 H new ATOM 0 HB2 ASP A 22 -10.924 -4.871 -9.503 1.00 3.62 H new ATOM 0 HB3 ASP A 22 -12.112 -5.945 -8.791 1.00 3.62 H new ATOM 345 N GLU A 23 -14.936 -4.313 -8.257 1.00 2.07 N ATOM 346 CA GLU A 23 -16.283 -4.676 -7.807 1.00 2.37 C ATOM 347 C GLU A 23 -16.224 -5.608 -6.582 1.00 1.70 C ATOM 348 O GLU A 23 -16.654 -5.207 -5.495 1.00 1.86 O ATOM 349 CB GLU A 23 -17.168 -5.252 -8.915 1.00 3.34 C ATOM 350 CG GLU A 23 -18.518 -5.750 -8.415 1.00 4.22 C ATOM 351 CD GLU A 23 -19.303 -6.496 -9.477 1.00 5.12 C ATOM 352 OE1 GLU A 23 -19.802 -5.851 -10.420 1.00 5.78 O ATOM 353 OE2 GLU A 23 -19.397 -7.733 -9.381 1.00 5.52 O ATOM 0 H GLU A 23 -14.454 -3.719 -7.582 1.00 2.07 H new ATOM 0 HA GLU A 23 -16.764 -3.745 -7.508 1.00 2.37 H new ATOM 0 HB2 GLU A 23 -17.330 -4.487 -9.675 1.00 3.34 H new ATOM 0 HB3 GLU A 23 -16.642 -6.075 -9.399 1.00 3.34 H new ATOM 0 HG2 GLU A 23 -18.363 -6.405 -7.558 1.00 4.22 H new ATOM 0 HG3 GLU A 23 -19.106 -4.901 -8.065 1.00 4.22 H new ATOM 360 N PRO A 24 -15.677 -6.844 -6.701 1.00 1.42 N ATOM 361 CA PRO A 24 -15.586 -7.766 -5.569 1.00 1.17 C ATOM 362 C PRO A 24 -14.377 -7.465 -4.681 1.00 0.97 C ATOM 363 O PRO A 24 -13.393 -6.860 -5.122 1.00 1.08 O ATOM 364 CB PRO A 24 -15.460 -9.135 -6.253 1.00 1.65 C ATOM 365 CG PRO A 24 -14.729 -8.849 -7.527 1.00 2.09 C ATOM 366 CD PRO A 24 -15.091 -7.438 -7.923 1.00 2.00 C ATOM 0 HA PRO A 24 -16.440 -7.698 -4.895 1.00 1.17 H new ATOM 0 HB2 PRO A 24 -14.911 -9.841 -5.630 1.00 1.65 H new ATOM 0 HB3 PRO A 24 -16.439 -9.574 -6.446 1.00 1.65 H new ATOM 0 HG2 PRO A 24 -13.653 -8.948 -7.387 1.00 2.09 H new ATOM 0 HG3 PRO A 24 -15.016 -9.556 -8.306 1.00 2.09 H new ATOM 0 HD2 PRO A 24 -14.213 -6.882 -8.252 1.00 2.00 H new ATOM 0 HD3 PRO A 24 -15.803 -7.429 -8.749 1.00 2.00 H new ATOM 374 N PRO A 25 -14.436 -7.886 -3.413 1.00 0.88 N ATOM 375 CA PRO A 25 -13.349 -7.667 -2.470 1.00 0.77 C ATOM 376 C PRO A 25 -12.217 -8.653 -2.720 1.00 0.74 C ATOM 377 O PRO A 25 -12.439 -9.857 -2.827 1.00 0.92 O ATOM 378 CB PRO A 25 -13.992 -7.879 -1.098 1.00 0.92 C ATOM 379 CG PRO A 25 -15.408 -8.322 -1.343 1.00 1.08 C ATOM 380 CD PRO A 25 -15.553 -8.622 -2.804 1.00 1.09 C ATOM 0 HA PRO A 25 -12.902 -6.677 -2.559 1.00 0.77 H new ATOM 0 HB2 PRO A 25 -13.446 -8.630 -0.527 1.00 0.92 H new ATOM 0 HB3 PRO A 25 -13.971 -6.958 -0.515 1.00 0.92 H new ATOM 0 HG2 PRO A 25 -15.639 -9.205 -0.748 1.00 1.08 H new ATOM 0 HG3 PRO A 25 -16.108 -7.543 -1.043 1.00 1.08 H new ATOM 0 HD2 PRO A 25 -15.486 -9.692 -3.004 1.00 1.09 H new ATOM 0 HD3 PRO A 25 -16.515 -8.285 -3.190 1.00 1.09 H new ATOM 388 N LYS A 26 -11.012 -8.134 -2.851 1.00 0.65 N ATOM 389 CA LYS A 26 -9.862 -8.973 -3.132 1.00 0.73 C ATOM 390 C LYS A 26 -8.784 -8.816 -2.079 1.00 0.66 C ATOM 391 O LYS A 26 -8.551 -7.717 -1.570 1.00 0.88 O ATOM 392 CB LYS A 26 -9.310 -8.648 -4.520 1.00 0.95 C ATOM 393 CG LYS A 26 -10.317 -8.919 -5.625 1.00 1.34 C ATOM 394 CD LYS A 26 -9.840 -8.426 -6.983 1.00 1.42 C ATOM 395 CE LYS A 26 -8.616 -9.175 -7.481 1.00 1.61 C ATOM 396 NZ LYS A 26 -8.909 -10.574 -7.890 1.00 2.20 N ATOM 0 H LYS A 26 -10.803 -7.139 -2.768 1.00 0.65 H new ATOM 0 HA LYS A 26 -10.188 -10.013 -3.110 1.00 0.73 H new ATOM 0 HB2 LYS A 26 -9.013 -7.600 -4.553 1.00 0.95 H new ATOM 0 HB3 LYS A 26 -8.412 -9.240 -4.698 1.00 0.95 H new ATOM 0 HG2 LYS A 26 -10.512 -9.990 -5.679 1.00 1.34 H new ATOM 0 HG3 LYS A 26 -11.262 -8.435 -5.378 1.00 1.34 H new ATOM 0 HD2 LYS A 26 -10.647 -8.534 -7.708 1.00 1.42 H new ATOM 0 HD3 LYS A 26 -9.609 -7.363 -6.919 1.00 1.42 H new ATOM 0 HE2 LYS A 26 -8.190 -8.638 -8.328 1.00 1.61 H new ATOM 0 HE3 LYS A 26 -7.860 -9.184 -6.696 1.00 1.61 H new ATOM 0 HZ1 LYS A 26 -8.049 -11.008 -8.282 1.00 2.20 H new ATOM 0 HZ2 LYS A 26 -9.225 -11.119 -7.062 1.00 2.20 H new ATOM 0 HZ3 LYS A 26 -9.658 -10.575 -8.612 1.00 2.20 H new ATOM 410 N LEU A 27 -8.137 -9.926 -1.755 1.00 0.67 N ATOM 411 CA LEU A 27 -7.081 -9.936 -0.760 1.00 0.65 C ATOM 412 C LEU A 27 -5.797 -9.397 -1.371 1.00 0.67 C ATOM 413 O LEU A 27 -5.464 -9.752 -2.495 1.00 1.02 O ATOM 414 CB LEU A 27 -6.861 -11.365 -0.270 1.00 0.76 C ATOM 415 CG LEU A 27 -5.950 -11.516 0.943 1.00 0.93 C ATOM 416 CD1 LEU A 27 -6.396 -12.696 1.779 1.00 1.23 C ATOM 417 CD2 LEU A 27 -4.506 -11.699 0.503 1.00 1.31 C ATOM 0 H LEU A 27 -8.329 -10.837 -2.172 1.00 0.67 H new ATOM 0 HA LEU A 27 -7.367 -9.305 0.082 1.00 0.65 H new ATOM 0 HB2 LEU A 27 -7.831 -11.800 -0.029 1.00 0.76 H new ATOM 0 HB3 LEU A 27 -6.444 -11.950 -1.090 1.00 0.76 H new ATOM 0 HG LEU A 27 -6.015 -10.610 1.545 1.00 0.93 H new ATOM 0 HD11 LEU A 27 -5.740 -12.798 2.644 1.00 1.23 H new ATOM 0 HD12 LEU A 27 -7.420 -12.536 2.117 1.00 1.23 H new ATOM 0 HD13 LEU A 27 -6.349 -13.605 1.179 1.00 1.23 H new ATOM 0 HD21 LEU A 27 -3.869 -11.805 1.381 1.00 1.31 H new ATOM 0 HD22 LEU A 27 -4.424 -12.593 -0.115 1.00 1.31 H new ATOM 0 HD23 LEU A 27 -4.188 -10.830 -0.073 1.00 1.31 H new ATOM 429 N ARG A 28 -5.087 -8.546 -0.642 1.00 0.57 N ATOM 430 CA ARG A 28 -3.840 -7.981 -1.130 1.00 0.59 C ATOM 431 C ARG A 28 -2.925 -7.515 0.009 1.00 0.55 C ATOM 432 O ARG A 28 -3.355 -6.813 0.925 1.00 0.64 O ATOM 433 CB ARG A 28 -4.122 -6.823 -2.073 1.00 0.71 C ATOM 434 CG ARG A 28 -5.005 -5.742 -1.488 1.00 1.41 C ATOM 435 CD ARG A 28 -6.006 -5.222 -2.506 1.00 1.72 C ATOM 436 NE ARG A 28 -5.396 -4.951 -3.806 1.00 1.97 N ATOM 437 CZ ARG A 28 -5.316 -5.851 -4.784 1.00 2.42 C ATOM 438 NH1 ARG A 28 -6.206 -6.843 -4.835 1.00 2.77 N ATOM 439 NH2 ARG A 28 -4.650 -5.542 -5.876 1.00 3.18 N ATOM 0 H ARG A 28 -5.356 -8.233 0.291 1.00 0.57 H new ATOM 0 HA ARG A 28 -3.317 -8.773 -1.666 1.00 0.59 H new ATOM 0 HB2 ARG A 28 -3.174 -6.377 -2.375 1.00 0.71 H new ATOM 0 HB3 ARG A 28 -4.594 -7.212 -2.976 1.00 0.71 H new ATOM 0 HG2 ARG A 28 -5.538 -6.136 -0.622 1.00 1.41 H new ATOM 0 HG3 ARG A 28 -4.385 -4.918 -1.133 1.00 1.41 H new ATOM 0 HD2 ARG A 28 -6.806 -5.952 -2.629 1.00 1.72 H new ATOM 0 HD3 ARG A 28 -6.464 -4.309 -2.126 1.00 1.72 H new ATOM 0 HE ARG A 28 -5.010 -4.022 -3.973 1.00 1.97 H new ATOM 0 HH11 ARG A 28 -6.939 -6.907 -4.129 1.00 2.77 H new ATOM 0 HH12 ARG A 28 -6.153 -7.538 -5.580 1.00 2.77 H new ATOM 0 HH21 ARG A 28 -4.207 -4.627 -5.961 1.00 3.18 H new ATOM 0 HH22 ARG A 28 -4.577 -6.217 -6.637 1.00 3.18 H new ATOM 453 N TYR A 29 -1.653 -7.889 -0.088 1.00 0.55 N ATOM 454 CA TYR A 29 -0.641 -7.493 0.887 1.00 0.59 C ATOM 455 C TYR A 29 -0.038 -6.177 0.452 1.00 0.55 C ATOM 456 O TYR A 29 0.707 -6.126 -0.527 1.00 0.70 O ATOM 457 CB TYR A 29 0.466 -8.554 0.999 1.00 0.71 C ATOM 458 CG TYR A 29 -0.023 -9.908 1.478 1.00 0.77 C ATOM 459 CD1 TYR A 29 -1.291 -10.048 2.024 1.00 1.46 C ATOM 460 CD2 TYR A 29 0.779 -11.049 1.374 1.00 1.38 C ATOM 461 CE1 TYR A 29 -1.749 -11.282 2.447 1.00 1.63 C ATOM 462 CE2 TYR A 29 0.324 -12.280 1.791 1.00 1.55 C ATOM 463 CZ TYR A 29 -0.936 -12.393 2.321 1.00 1.26 C ATOM 464 OH TYR A 29 -1.383 -13.631 2.721 1.00 1.58 O ATOM 0 H TYR A 29 -1.295 -8.474 -0.843 1.00 0.55 H new ATOM 0 HA TYR A 29 -1.113 -7.393 1.865 1.00 0.59 H new ATOM 0 HB2 TYR A 29 0.940 -8.674 0.025 1.00 0.71 H new ATOM 0 HB3 TYR A 29 1.233 -8.193 1.684 1.00 0.71 H new ATOM 0 HD1 TYR A 29 -1.929 -9.182 2.120 1.00 1.46 H new ATOM 0 HD2 TYR A 29 1.773 -10.963 0.959 1.00 1.38 H new ATOM 0 HE1 TYR A 29 -2.737 -11.378 2.874 1.00 1.63 H new ATOM 0 HE2 TYR A 29 0.956 -13.151 1.701 1.00 1.55 H new ATOM 0 HH TYR A 29 -0.684 -14.299 2.560 1.00 1.58 H new ATOM 474 N VAL A 30 -0.387 -5.119 1.151 1.00 0.48 N ATOM 475 CA VAL A 30 0.099 -3.793 0.815 1.00 0.48 C ATOM 476 C VAL A 30 1.354 -3.411 1.599 1.00 0.49 C ATOM 477 O VAL A 30 1.364 -3.412 2.829 1.00 0.59 O ATOM 478 CB VAL A 30 -1.003 -2.751 1.058 1.00 0.54 C ATOM 479 CG1 VAL A 30 -0.564 -1.392 0.570 1.00 0.60 C ATOM 480 CG2 VAL A 30 -2.274 -3.174 0.351 1.00 0.65 C ATOM 0 H VAL A 30 -1.008 -5.149 1.960 1.00 0.48 H new ATOM 0 HA VAL A 30 0.369 -3.810 -0.241 1.00 0.48 H new ATOM 0 HB VAL A 30 -1.194 -2.686 2.129 1.00 0.54 H new ATOM 0 HG11 VAL A 30 -1.357 -0.667 0.750 1.00 0.60 H new ATOM 0 HG12 VAL A 30 0.335 -1.086 1.105 1.00 0.60 H new ATOM 0 HG13 VAL A 30 -0.352 -1.440 -0.498 1.00 0.60 H new ATOM 0 HG21 VAL A 30 -3.052 -2.431 0.527 1.00 0.65 H new ATOM 0 HG22 VAL A 30 -2.085 -3.255 -0.719 1.00 0.65 H new ATOM 0 HG23 VAL A 30 -2.600 -4.140 0.736 1.00 0.65 H new ATOM 490 N PHE A 31 2.408 -3.063 0.864 1.00 0.49 N ATOM 491 CA PHE A 31 3.672 -2.646 1.461 1.00 0.54 C ATOM 492 C PHE A 31 4.042 -1.274 0.892 1.00 0.52 C ATOM 493 O PHE A 31 4.070 -1.095 -0.324 1.00 0.56 O ATOM 494 CB PHE A 31 4.822 -3.629 1.141 1.00 0.61 C ATOM 495 CG PHE A 31 4.449 -5.083 1.027 1.00 0.61 C ATOM 496 CD1 PHE A 31 3.908 -5.766 2.090 1.00 1.22 C ATOM 497 CD2 PHE A 31 4.665 -5.763 -0.159 1.00 1.44 C ATOM 498 CE1 PHE A 31 3.582 -7.101 1.984 1.00 1.30 C ATOM 499 CE2 PHE A 31 4.344 -7.105 -0.282 1.00 1.49 C ATOM 500 CZ PHE A 31 3.801 -7.779 0.795 1.00 0.85 C ATOM 0 H PHE A 31 2.409 -3.062 -0.156 1.00 0.49 H new ATOM 0 HA PHE A 31 3.542 -2.618 2.543 1.00 0.54 H new ATOM 0 HB2 PHE A 31 5.284 -3.320 0.203 1.00 0.61 H new ATOM 0 HB3 PHE A 31 5.581 -3.531 1.917 1.00 0.61 H new ATOM 0 HD1 PHE A 31 3.736 -5.249 3.022 1.00 1.22 H new ATOM 0 HD2 PHE A 31 5.091 -5.239 -1.002 1.00 1.44 H new ATOM 0 HE1 PHE A 31 3.155 -7.620 2.829 1.00 1.30 H new ATOM 0 HE2 PHE A 31 4.517 -7.622 -1.215 1.00 1.49 H new ATOM 0 HZ PHE A 31 3.549 -8.826 0.711 1.00 0.85 H new ATOM 510 N LEU A 32 4.350 -0.312 1.741 1.00 0.57 N ATOM 511 CA LEU A 32 4.741 0.990 1.236 1.00 0.59 C ATOM 512 C LEU A 32 6.215 1.194 1.494 1.00 0.67 C ATOM 513 O LEU A 32 6.681 0.994 2.621 1.00 0.84 O ATOM 514 CB LEU A 32 3.963 2.145 1.857 1.00 0.74 C ATOM 515 CG LEU A 32 2.556 1.856 2.389 1.00 0.98 C ATOM 516 CD1 LEU A 32 2.032 3.101 3.091 1.00 1.10 C ATOM 517 CD2 LEU A 32 1.607 1.447 1.265 1.00 1.43 C ATOM 0 H LEU A 32 4.338 -0.402 2.757 1.00 0.57 H new ATOM 0 HA LEU A 32 4.515 0.996 0.170 1.00 0.59 H new ATOM 0 HB2 LEU A 32 4.556 2.544 2.680 1.00 0.74 H new ATOM 0 HB3 LEU A 32 3.883 2.934 1.110 1.00 0.74 H new ATOM 0 HG LEU A 32 2.609 1.023 3.090 1.00 0.98 H new ATOM 0 HD11 LEU A 32 1.030 2.908 3.475 1.00 1.10 H new ATOM 0 HD12 LEU A 32 2.694 3.358 3.918 1.00 1.10 H new ATOM 0 HD13 LEU A 32 1.996 3.930 2.384 1.00 1.10 H new ATOM 0 HD21 LEU A 32 0.618 1.249 1.678 1.00 1.43 H new ATOM 0 HD22 LEU A 32 1.541 2.252 0.534 1.00 1.43 H new ATOM 0 HD23 LEU A 32 1.984 0.547 0.780 1.00 1.43 H new ATOM 529 N PHE A 33 6.940 1.591 0.456 1.00 0.75 N ATOM 530 CA PHE A 33 8.361 1.835 0.560 1.00 0.96 C ATOM 531 C PHE A 33 8.625 3.263 0.123 1.00 1.08 C ATOM 532 O PHE A 33 7.752 3.884 -0.492 1.00 1.56 O ATOM 533 CB PHE A 33 9.150 0.849 -0.320 1.00 1.17 C ATOM 534 CG PHE A 33 8.922 -0.594 0.042 1.00 1.36 C ATOM 535 CD1 PHE A 33 8.768 -0.976 1.360 1.00 2.01 C ATOM 536 CD2 PHE A 33 8.861 -1.562 -0.936 1.00 1.79 C ATOM 537 CE1 PHE A 33 8.551 -2.293 1.696 1.00 2.28 C ATOM 538 CE2 PHE A 33 8.646 -2.883 -0.607 1.00 2.06 C ATOM 539 CZ PHE A 33 8.488 -3.251 0.710 1.00 2.01 C ATOM 0 H PHE A 33 6.556 1.751 -0.475 1.00 0.75 H new ATOM 0 HA PHE A 33 8.688 1.689 1.589 1.00 0.96 H new ATOM 0 HB2 PHE A 33 8.872 1.002 -1.363 1.00 1.17 H new ATOM 0 HB3 PHE A 33 10.214 1.072 -0.238 1.00 1.17 H new ATOM 0 HD1 PHE A 33 8.819 -0.230 2.139 1.00 2.01 H new ATOM 0 HD2 PHE A 33 8.983 -1.283 -1.972 1.00 1.79 H new ATOM 0 HE1 PHE A 33 8.430 -2.574 2.732 1.00 2.28 H new ATOM 0 HE2 PHE A 33 8.601 -3.631 -1.384 1.00 2.06 H new ATOM 0 HZ PHE A 33 8.316 -4.285 0.968 1.00 2.01 H new ATOM 549 N ARG A 34 9.814 3.780 0.403 1.00 1.04 N ATOM 550 CA ARG A 34 10.152 5.134 -0.008 1.00 1.17 C ATOM 551 C ARG A 34 10.577 5.070 -1.463 1.00 1.03 C ATOM 552 O ARG A 34 11.740 5.269 -1.816 1.00 1.87 O ATOM 553 CB ARG A 34 11.245 5.764 0.890 1.00 1.83 C ATOM 554 CG ARG A 34 11.247 7.293 0.869 1.00 2.51 C ATOM 555 CD ARG A 34 11.839 7.856 -0.411 1.00 3.05 C ATOM 556 NE ARG A 34 11.414 9.231 -0.668 1.00 3.66 N ATOM 557 CZ ARG A 34 11.954 10.020 -1.591 1.00 4.29 C ATOM 558 NH1 ARG A 34 13.087 9.678 -2.185 1.00 4.48 N ATOM 559 NH2 ARG A 34 11.448 11.224 -1.786 1.00 5.12 N ATOM 0 H ARG A 34 10.552 3.288 0.907 1.00 1.04 H new ATOM 0 HA ARG A 34 9.285 5.785 0.103 1.00 1.17 H new ATOM 0 HB2 ARG A 34 11.102 5.423 1.915 1.00 1.83 H new ATOM 0 HB3 ARG A 34 12.222 5.403 0.567 1.00 1.83 H new ATOM 0 HG2 ARG A 34 10.226 7.656 0.984 1.00 2.51 H new ATOM 0 HG3 ARG A 34 11.815 7.664 1.722 1.00 2.51 H new ATOM 0 HD2 ARG A 34 12.927 7.821 -0.350 1.00 3.05 H new ATOM 0 HD3 ARG A 34 11.546 7.226 -1.251 1.00 3.05 H new ATOM 0 HE ARG A 34 10.654 9.609 -0.102 1.00 3.66 H new ATOM 0 HH11 ARG A 34 13.550 8.804 -1.935 1.00 4.48 H new ATOM 0 HH12 ARG A 34 13.496 10.288 -2.893 1.00 4.48 H new ATOM 0 HH21 ARG A 34 10.652 11.539 -1.231 1.00 5.12 H new ATOM 0 HH22 ARG A 34 11.853 11.839 -2.491 1.00 5.12 H new ATOM 573 N ASN A 35 9.603 4.736 -2.293 1.00 0.98 N ATOM 574 CA ASN A 35 9.807 4.581 -3.713 1.00 1.38 C ATOM 575 C ASN A 35 8.478 4.344 -4.393 1.00 1.09 C ATOM 576 O ASN A 35 8.119 5.036 -5.347 1.00 1.24 O ATOM 577 CB ASN A 35 10.722 3.392 -3.985 1.00 2.08 C ATOM 578 CG ASN A 35 11.161 3.318 -5.433 1.00 2.84 C ATOM 579 OD1 ASN A 35 10.337 3.158 -6.336 1.00 3.26 O ATOM 580 ND2 ASN A 35 12.456 3.427 -5.655 1.00 3.64 N ATOM 0 H ASN A 35 8.643 4.565 -1.992 1.00 0.98 H new ATOM 0 HA ASN A 35 10.267 5.489 -4.103 1.00 1.38 H new ATOM 0 HB2 ASN A 35 11.602 3.461 -3.345 1.00 2.08 H new ATOM 0 HB3 ASN A 35 10.204 2.471 -3.718 1.00 2.08 H new ATOM 0 HD21 ASN A 35 12.816 3.380 -6.608 1.00 3.64 H new ATOM 0 HD22 ASN A 35 13.098 3.558 -4.873 1.00 3.64 H new ATOM 587 N LYS A 36 7.747 3.350 -3.905 1.00 0.89 N ATOM 588 CA LYS A 36 6.461 2.998 -4.461 1.00 0.69 C ATOM 589 C LYS A 36 5.666 2.175 -3.451 1.00 0.66 C ATOM 590 O LYS A 36 6.219 1.710 -2.442 1.00 0.77 O ATOM 591 CB LYS A 36 6.649 2.156 -5.720 1.00 0.80 C ATOM 592 CG LYS A 36 7.278 0.801 -5.435 1.00 1.05 C ATOM 593 CD LYS A 36 7.448 -0.027 -6.699 1.00 1.32 C ATOM 594 CE LYS A 36 8.538 0.519 -7.597 1.00 1.84 C ATOM 595 NZ LYS A 36 8.736 -0.368 -8.770 1.00 2.23 N ATOM 0 H LYS A 36 8.034 2.771 -3.116 1.00 0.89 H new ATOM 0 HA LYS A 36 5.927 3.917 -4.702 1.00 0.69 H new ATOM 0 HB2 LYS A 36 5.682 2.009 -6.201 1.00 0.80 H new ATOM 0 HB3 LYS A 36 7.276 2.701 -6.426 1.00 0.80 H new ATOM 0 HG2 LYS A 36 8.250 0.945 -4.963 1.00 1.05 H new ATOM 0 HG3 LYS A 36 6.656 0.255 -4.725 1.00 1.05 H new ATOM 0 HD2 LYS A 36 7.684 -1.056 -6.428 1.00 1.32 H new ATOM 0 HD3 LYS A 36 6.506 -0.049 -7.246 1.00 1.32 H new ATOM 0 HE2 LYS A 36 8.273 1.522 -7.932 1.00 1.84 H new ATOM 0 HE3 LYS A 36 9.469 0.606 -7.037 1.00 1.84 H new ATOM 0 HZ1 LYS A 36 9.487 0.020 -9.376 1.00 2.23 H new ATOM 0 HZ2 LYS A 36 9.010 -1.317 -8.445 1.00 2.23 H new ATOM 0 HZ3 LYS A 36 7.851 -0.429 -9.312 1.00 2.23 H new ATOM 609 N ILE A 37 4.392 1.965 -3.759 1.00 0.61 N ATOM 610 CA ILE A 37 3.518 1.161 -2.922 1.00 0.60 C ATOM 611 C ILE A 37 3.370 -0.216 -3.552 1.00 0.54 C ATOM 612 O ILE A 37 2.480 -0.449 -4.372 1.00 0.75 O ATOM 613 CB ILE A 37 2.111 1.789 -2.748 1.00 0.73 C ATOM 614 CG1 ILE A 37 2.246 3.160 -2.108 1.00 0.85 C ATOM 615 CG2 ILE A 37 1.202 0.891 -1.900 1.00 0.79 C ATOM 616 CD1 ILE A 37 0.940 3.907 -1.945 1.00 1.01 C ATOM 0 H ILE A 37 3.940 2.345 -4.591 1.00 0.61 H new ATOM 0 HA ILE A 37 3.972 1.101 -1.933 1.00 0.60 H new ATOM 0 HB ILE A 37 1.651 1.889 -3.731 1.00 0.73 H new ATOM 0 HG12 ILE A 37 2.709 3.046 -1.128 1.00 0.85 H new ATOM 0 HG13 ILE A 37 2.923 3.764 -2.712 1.00 0.85 H new ATOM 0 HG21 ILE A 37 0.223 1.359 -1.796 1.00 0.79 H new ATOM 0 HG22 ILE A 37 1.091 -0.078 -2.387 1.00 0.79 H new ATOM 0 HG23 ILE A 37 1.645 0.753 -0.913 1.00 0.79 H new ATOM 0 HD11 ILE A 37 1.130 4.875 -1.481 1.00 1.01 H new ATOM 0 HD12 ILE A 37 0.482 4.057 -2.923 1.00 1.01 H new ATOM 0 HD13 ILE A 37 0.266 3.328 -1.314 1.00 1.01 H new ATOM 628 N MET A 38 4.249 -1.114 -3.182 1.00 0.51 N ATOM 629 CA MET A 38 4.215 -2.465 -3.713 1.00 0.59 C ATOM 630 C MET A 38 3.173 -3.290 -2.976 1.00 0.60 C ATOM 631 O MET A 38 3.229 -3.427 -1.760 1.00 0.98 O ATOM 632 CB MET A 38 5.583 -3.142 -3.595 1.00 0.75 C ATOM 633 CG MET A 38 5.592 -4.600 -4.031 1.00 1.40 C ATOM 634 SD MET A 38 7.239 -5.324 -3.907 1.00 1.72 S ATOM 635 CE MET A 38 6.947 -6.920 -4.650 1.00 2.53 C ATOM 0 H MET A 38 5.000 -0.939 -2.514 1.00 0.51 H new ATOM 0 HA MET A 38 3.952 -2.403 -4.769 1.00 0.59 H new ATOM 0 HB2 MET A 38 6.304 -2.589 -4.197 1.00 0.75 H new ATOM 0 HB3 MET A 38 5.919 -3.081 -2.560 1.00 0.75 H new ATOM 0 HG2 MET A 38 4.897 -5.169 -3.413 1.00 1.40 H new ATOM 0 HG3 MET A 38 5.238 -4.674 -5.059 1.00 1.40 H new ATOM 0 HE1 MET A 38 7.873 -7.496 -4.651 1.00 2.53 H new ATOM 0 HE2 MET A 38 6.188 -7.454 -4.078 1.00 2.53 H new ATOM 0 HE3 MET A 38 6.602 -6.786 -5.675 1.00 2.53 H new ATOM 645 N PHE A 39 2.229 -3.849 -3.700 1.00 0.61 N ATOM 646 CA PHE A 39 1.206 -4.659 -3.069 1.00 0.71 C ATOM 647 C PHE A 39 0.932 -5.918 -3.878 1.00 0.72 C ATOM 648 O PHE A 39 0.425 -5.863 -4.999 1.00 1.08 O ATOM 649 CB PHE A 39 -0.083 -3.841 -2.806 1.00 1.11 C ATOM 650 CG PHE A 39 -0.786 -3.297 -4.027 1.00 0.58 C ATOM 651 CD1 PHE A 39 -0.120 -2.506 -4.950 1.00 1.31 C ATOM 652 CD2 PHE A 39 -2.130 -3.554 -4.230 1.00 1.32 C ATOM 653 CE1 PHE A 39 -0.785 -1.987 -6.042 1.00 1.69 C ATOM 654 CE2 PHE A 39 -2.797 -3.038 -5.328 1.00 1.66 C ATOM 655 CZ PHE A 39 -2.122 -2.253 -6.230 1.00 1.57 C ATOM 0 H PHE A 39 2.146 -3.761 -4.713 1.00 0.61 H new ATOM 0 HA PHE A 39 1.580 -4.976 -2.095 1.00 0.71 H new ATOM 0 HB2 PHE A 39 -0.784 -4.472 -2.259 1.00 1.11 H new ATOM 0 HB3 PHE A 39 0.169 -3.005 -2.154 1.00 1.11 H new ATOM 0 HD1 PHE A 39 0.930 -2.294 -4.813 1.00 1.31 H new ATOM 0 HD2 PHE A 39 -2.667 -4.167 -3.521 1.00 1.32 H new ATOM 0 HE1 PHE A 39 -0.254 -1.370 -6.752 1.00 1.69 H new ATOM 0 HE2 PHE A 39 -3.845 -3.252 -5.475 1.00 1.66 H new ATOM 0 HZ PHE A 39 -2.640 -1.845 -7.086 1.00 1.57 H new ATOM 665 N THR A 40 1.289 -7.051 -3.292 1.00 0.63 N ATOM 666 CA THR A 40 1.096 -8.326 -3.930 1.00 0.74 C ATOM 667 C THR A 40 -0.212 -8.935 -3.444 1.00 0.84 C ATOM 668 O THR A 40 -0.353 -9.274 -2.265 1.00 1.16 O ATOM 669 CB THR A 40 2.278 -9.252 -3.626 1.00 0.98 C ATOM 670 OG1 THR A 40 2.451 -9.394 -2.226 1.00 1.45 O ATOM 671 CG2 THR A 40 3.594 -8.755 -4.192 1.00 1.35 C ATOM 0 H THR A 40 1.717 -7.103 -2.368 1.00 0.63 H new ATOM 0 HA THR A 40 1.044 -8.193 -5.011 1.00 0.74 H new ATOM 0 HB THR A 40 2.029 -10.201 -4.100 1.00 0.98 H new ATOM 0 HG1 THR A 40 1.580 -9.543 -1.802 1.00 1.45 H new ATOM 0 HG21 THR A 40 4.387 -9.458 -3.939 1.00 1.35 H new ATOM 0 HG22 THR A 40 3.515 -8.671 -5.276 1.00 1.35 H new ATOM 0 HG23 THR A 40 3.827 -7.778 -3.768 1.00 1.35 H new ATOM 679 N GLU A 41 -1.175 -9.022 -4.331 1.00 1.04 N ATOM 680 CA GLU A 41 -2.484 -9.539 -3.988 1.00 1.27 C ATOM 681 C GLU A 41 -2.603 -11.029 -4.200 1.00 1.20 C ATOM 682 O GLU A 41 -1.761 -11.659 -4.847 1.00 1.66 O ATOM 683 CB GLU A 41 -3.571 -8.830 -4.806 1.00 1.89 C ATOM 684 CG GLU A 41 -3.389 -8.909 -6.317 1.00 2.55 C ATOM 685 CD GLU A 41 -2.511 -7.811 -6.878 1.00 3.05 C ATOM 686 OE1 GLU A 41 -1.305 -7.802 -6.589 1.00 3.56 O ATOM 687 OE2 GLU A 41 -3.031 -6.950 -7.613 1.00 3.46 O ATOM 0 H GLU A 41 -1.077 -8.739 -5.306 1.00 1.04 H new ATOM 0 HA GLU A 41 -2.620 -9.343 -2.924 1.00 1.27 H new ATOM 0 HB2 GLU A 41 -4.539 -9.260 -4.548 1.00 1.89 H new ATOM 0 HB3 GLU A 41 -3.600 -7.781 -4.512 1.00 1.89 H new ATOM 0 HG2 GLU A 41 -2.956 -9.876 -6.573 1.00 2.55 H new ATOM 0 HG3 GLU A 41 -4.367 -8.861 -6.796 1.00 2.55 H new ATOM 694 N GLN A 42 -3.690 -11.571 -3.674 1.00 1.08 N ATOM 695 CA GLN A 42 -3.995 -12.969 -3.816 1.00 1.24 C ATOM 696 C GLN A 42 -5.297 -13.069 -4.564 1.00 1.37 C ATOM 697 O GLN A 42 -6.234 -12.306 -4.303 1.00 1.84 O ATOM 698 CB GLN A 42 -4.074 -13.676 -2.455 1.00 1.58 C ATOM 699 CG GLN A 42 -4.410 -15.157 -2.561 1.00 2.34 C ATOM 700 CD GLN A 42 -4.057 -15.940 -1.315 1.00 2.87 C ATOM 701 OE1 GLN A 42 -4.613 -15.716 -0.241 1.00 3.26 O ATOM 702 NE2 GLN A 42 -3.136 -16.878 -1.463 1.00 3.46 N ATOM 0 H GLN A 42 -4.381 -11.046 -3.138 1.00 1.08 H new ATOM 0 HA GLN A 42 -3.200 -13.472 -4.367 1.00 1.24 H new ATOM 0 HB2 GLN A 42 -3.120 -13.564 -1.940 1.00 1.58 H new ATOM 0 HB3 GLN A 42 -4.828 -13.183 -1.841 1.00 1.58 H new ATOM 0 HG2 GLN A 42 -5.476 -15.268 -2.762 1.00 2.34 H new ATOM 0 HG3 GLN A 42 -3.879 -15.583 -3.412 1.00 2.34 H new ATOM 0 HE21 GLN A 42 -2.702 -17.028 -2.374 1.00 3.46 H new ATOM 0 HE22 GLN A 42 -2.860 -17.452 -0.666 1.00 3.46 H new ATOM 711 N ASP A 43 -5.347 -13.975 -5.515 1.00 1.32 N ATOM 712 CA ASP A 43 -6.531 -14.128 -6.321 1.00 1.60 C ATOM 713 C ASP A 43 -7.422 -15.211 -5.737 1.00 1.62 C ATOM 714 O ASP A 43 -7.283 -16.395 -6.036 1.00 1.97 O ATOM 715 CB ASP A 43 -6.145 -14.412 -7.779 1.00 2.08 C ATOM 716 CG ASP A 43 -6.647 -13.329 -8.725 1.00 2.50 C ATOM 717 OD1 ASP A 43 -6.720 -12.148 -8.310 1.00 2.96 O ATOM 718 OD2 ASP A 43 -6.956 -13.638 -9.894 1.00 2.87 O ATOM 0 H ASP A 43 -4.585 -14.612 -5.746 1.00 1.32 H new ATOM 0 HA ASP A 43 -7.102 -13.200 -6.314 1.00 1.60 H new ATOM 0 HB2 ASP A 43 -5.061 -14.488 -7.858 1.00 2.08 H new ATOM 0 HB3 ASP A 43 -6.555 -15.376 -8.081 1.00 2.08 H new ATOM 723 N ALA A 44 -8.327 -14.761 -4.880 1.00 1.87 N ATOM 724 CA ALA A 44 -9.284 -15.613 -4.198 1.00 2.28 C ATOM 725 C ALA A 44 -10.354 -14.730 -3.559 1.00 2.75 C ATOM 726 O ALA A 44 -10.323 -13.506 -3.741 1.00 3.39 O ATOM 727 CB ALA A 44 -8.606 -16.468 -3.140 1.00 2.82 C ATOM 0 H ALA A 44 -8.416 -13.775 -4.636 1.00 1.87 H new ATOM 0 HA ALA A 44 -9.739 -16.290 -4.922 1.00 2.28 H new ATOM 0 HB1 ALA A 44 -9.349 -17.095 -2.647 1.00 2.82 H new ATOM 0 HB2 ALA A 44 -7.853 -17.100 -3.611 1.00 2.82 H new ATOM 0 HB3 ALA A 44 -8.129 -15.823 -2.402 1.00 2.82 H new ATOM 733 N SER A 45 -11.269 -15.336 -2.797 1.00 3.20 N ATOM 734 CA SER A 45 -12.329 -14.591 -2.106 1.00 4.25 C ATOM 735 C SER A 45 -13.284 -13.911 -3.078 1.00 4.77 C ATOM 736 O SER A 45 -13.087 -12.761 -3.471 1.00 5.30 O ATOM 737 CB SER A 45 -11.712 -13.564 -1.159 1.00 4.93 C ATOM 738 OG SER A 45 -10.799 -14.190 -0.273 1.00 5.22 O ATOM 0 H SER A 45 -11.298 -16.344 -2.642 1.00 3.20 H new ATOM 0 HA SER A 45 -12.915 -15.309 -1.532 1.00 4.25 H new ATOM 0 HB2 SER A 45 -11.199 -12.793 -1.734 1.00 4.93 H new ATOM 0 HB3 SER A 45 -12.498 -13.068 -0.590 1.00 4.93 H new ATOM 0 HG SER A 45 -9.885 -13.920 -0.501 1.00 5.22 H new ATOM 744 N THR A 46 -14.325 -14.643 -3.457 1.00 5.00 N ATOM 745 CA THR A 46 -15.344 -14.156 -4.378 1.00 5.82 C ATOM 746 C THR A 46 -14.727 -13.662 -5.691 1.00 5.62 C ATOM 747 O THR A 46 -15.338 -12.897 -6.440 1.00 5.88 O ATOM 748 CB THR A 46 -16.187 -13.071 -3.728 1.00 6.59 C ATOM 749 OG1 THR A 46 -15.986 -13.010 -2.319 1.00 6.31 O ATOM 750 CG2 THR A 46 -17.649 -13.303 -3.951 1.00 7.39 C ATOM 0 H THR A 46 -14.486 -15.596 -3.132 1.00 5.00 H new ATOM 0 HA THR A 46 -15.997 -14.994 -4.620 1.00 5.82 H new ATOM 0 HB THR A 46 -15.870 -12.138 -4.194 1.00 6.59 H new ATOM 0 HG1 THR A 46 -16.544 -12.299 -1.939 1.00 6.31 H new ATOM 0 HG21 THR A 46 -18.221 -12.508 -3.472 1.00 7.39 H new ATOM 0 HG22 THR A 46 -17.858 -13.307 -5.021 1.00 7.39 H new ATOM 0 HG23 THR A 46 -17.934 -14.264 -3.522 1.00 7.39 H new ATOM 758 N SER A 47 -13.503 -14.108 -5.949 1.00 5.54 N ATOM 759 CA SER A 47 -12.759 -13.744 -7.151 1.00 5.68 C ATOM 760 C SER A 47 -12.045 -14.969 -7.710 1.00 5.14 C ATOM 761 O SER A 47 -11.632 -15.854 -6.954 1.00 5.00 O ATOM 762 CB SER A 47 -11.735 -12.642 -6.842 1.00 6.41 C ATOM 763 OG SER A 47 -12.353 -11.533 -6.215 1.00 6.89 O ATOM 0 H SER A 47 -12.995 -14.736 -5.327 1.00 5.54 H new ATOM 0 HA SER A 47 -13.464 -13.366 -7.892 1.00 5.68 H new ATOM 0 HB2 SER A 47 -10.952 -13.039 -6.196 1.00 6.41 H new ATOM 0 HB3 SER A 47 -11.253 -12.320 -7.765 1.00 6.41 H new ATOM 0 HG SER A 47 -12.644 -11.787 -5.314 1.00 6.89 H new ATOM 769 N PRO A 48 -11.877 -15.034 -9.044 1.00 5.23 N ATOM 770 CA PRO A 48 -11.188 -16.150 -9.700 1.00 5.13 C ATOM 771 C PRO A 48 -9.758 -16.276 -9.181 1.00 4.48 C ATOM 772 O PRO A 48 -9.145 -15.270 -8.822 1.00 4.75 O ATOM 773 CB PRO A 48 -11.189 -15.756 -11.180 1.00 5.87 C ATOM 774 CG PRO A 48 -12.293 -14.761 -11.312 1.00 6.34 C ATOM 775 CD PRO A 48 -12.324 -14.020 -10.013 1.00 5.91 C ATOM 0 HA PRO A 48 -11.667 -17.112 -9.516 1.00 5.13 H new ATOM 0 HB2 PRO A 48 -10.232 -15.326 -11.475 1.00 5.87 H new ATOM 0 HB3 PRO A 48 -11.359 -16.622 -11.819 1.00 5.87 H new ATOM 0 HG2 PRO A 48 -12.112 -14.083 -12.146 1.00 6.34 H new ATOM 0 HG3 PRO A 48 -13.245 -15.255 -11.504 1.00 6.34 H new ATOM 0 HD2 PRO A 48 -11.662 -13.154 -10.026 1.00 5.91 H new ATOM 0 HD3 PRO A 48 -13.324 -13.653 -9.781 1.00 5.91 H new ATOM 783 N PRO A 49 -9.213 -17.493 -9.106 1.00 4.08 N ATOM 784 CA PRO A 49 -7.857 -17.716 -8.597 1.00 3.90 C ATOM 785 C PRO A 49 -6.769 -17.501 -9.639 1.00 3.66 C ATOM 786 O PRO A 49 -7.050 -17.119 -10.781 1.00 4.13 O ATOM 787 CB PRO A 49 -7.886 -19.186 -8.208 1.00 4.20 C ATOM 788 CG PRO A 49 -8.799 -19.799 -9.207 1.00 4.54 C ATOM 789 CD PRO A 49 -9.868 -18.761 -9.482 1.00 4.40 C ATOM 0 HA PRO A 49 -7.619 -17.019 -7.793 1.00 3.90 H new ATOM 0 HB2 PRO A 49 -6.892 -19.630 -8.249 1.00 4.20 H new ATOM 0 HB3 PRO A 49 -8.255 -19.324 -7.192 1.00 4.20 H new ATOM 0 HG2 PRO A 49 -8.262 -20.059 -10.120 1.00 4.54 H new ATOM 0 HG3 PRO A 49 -9.238 -20.720 -8.822 1.00 4.54 H new ATOM 0 HD2 PRO A 49 -10.171 -18.763 -10.529 1.00 4.40 H new ATOM 0 HD3 PRO A 49 -10.766 -18.941 -8.890 1.00 4.40 H new ATOM 797 N SER A 50 -5.537 -17.792 -9.221 1.00 3.25 N ATOM 798 CA SER A 50 -4.352 -17.692 -10.062 1.00 3.42 C ATOM 799 C SER A 50 -3.993 -16.245 -10.407 1.00 2.88 C ATOM 800 O SER A 50 -4.500 -15.672 -11.373 1.00 3.28 O ATOM 801 CB SER A 50 -4.555 -18.502 -11.339 1.00 4.28 C ATOM 802 OG SER A 50 -4.921 -19.835 -11.030 1.00 4.85 O ATOM 0 H SER A 50 -5.335 -18.109 -8.273 1.00 3.25 H new ATOM 0 HA SER A 50 -3.516 -18.098 -9.493 1.00 3.42 H new ATOM 0 HB2 SER A 50 -5.329 -18.039 -11.951 1.00 4.28 H new ATOM 0 HB3 SER A 50 -3.638 -18.498 -11.928 1.00 4.28 H new ATOM 0 HG SER A 50 -5.049 -20.340 -11.860 1.00 4.85 H new ATOM 808 N TYR A 51 -3.088 -15.675 -9.626 1.00 2.46 N ATOM 809 CA TYR A 51 -2.626 -14.321 -9.849 1.00 2.13 C ATOM 810 C TYR A 51 -1.184 -14.344 -10.356 1.00 2.52 C ATOM 811 O TYR A 51 -0.350 -15.060 -9.801 1.00 3.20 O ATOM 812 CB TYR A 51 -2.692 -13.522 -8.545 1.00 2.21 C ATOM 813 CG TYR A 51 -1.960 -12.208 -8.601 1.00 2.58 C ATOM 814 CD1 TYR A 51 -2.437 -11.148 -9.356 1.00 3.33 C ATOM 815 CD2 TYR A 51 -0.777 -12.046 -7.906 1.00 2.99 C ATOM 816 CE1 TYR A 51 -1.749 -9.950 -9.414 1.00 4.15 C ATOM 817 CE2 TYR A 51 -0.079 -10.857 -7.951 1.00 3.82 C ATOM 818 CZ TYR A 51 -0.565 -9.809 -8.707 1.00 4.30 C ATOM 819 OH TYR A 51 0.128 -8.619 -8.754 1.00 5.34 O ATOM 0 H TYR A 51 -2.658 -16.138 -8.825 1.00 2.46 H new ATOM 0 HA TYR A 51 -3.267 -13.848 -10.593 1.00 2.13 H new ATOM 0 HB2 TYR A 51 -3.737 -13.335 -8.297 1.00 2.21 H new ATOM 0 HB3 TYR A 51 -2.276 -14.125 -7.738 1.00 2.21 H new ATOM 0 HD1 TYR A 51 -3.359 -11.259 -9.907 1.00 3.33 H new ATOM 0 HD2 TYR A 51 -0.392 -12.865 -7.317 1.00 2.99 H new ATOM 0 HE1 TYR A 51 -2.131 -9.131 -10.005 1.00 4.15 H new ATOM 0 HE2 TYR A 51 0.842 -10.747 -7.398 1.00 3.82 H new ATOM 0 HH TYR A 51 -0.499 -7.871 -8.664 1.00 5.34 H new ATOM 829 N THR A 52 -0.889 -13.552 -11.382 1.00 2.67 N ATOM 830 CA THR A 52 0.468 -13.467 -11.936 1.00 3.45 C ATOM 831 C THR A 52 0.967 -12.018 -11.864 1.00 3.24 C ATOM 832 O THR A 52 0.188 -11.114 -11.574 1.00 3.53 O ATOM 833 CB THR A 52 0.486 -13.971 -13.378 1.00 4.25 C ATOM 834 OG1 THR A 52 -0.664 -13.532 -14.049 1.00 4.76 O ATOM 835 CG2 THR A 52 0.527 -15.473 -13.510 1.00 4.89 C ATOM 0 H THR A 52 -1.571 -12.956 -11.852 1.00 2.67 H new ATOM 0 HA THR A 52 1.134 -14.098 -11.347 1.00 3.45 H new ATOM 0 HB THR A 52 1.403 -13.569 -13.809 1.00 4.25 H new ATOM 0 HG1 THR A 52 -0.647 -13.856 -14.974 1.00 4.76 H new ATOM 0 HG21 THR A 52 0.538 -15.745 -14.565 1.00 4.89 H new ATOM 0 HG22 THR A 52 1.426 -15.856 -13.027 1.00 4.89 H new ATOM 0 HG23 THR A 52 -0.353 -15.904 -13.033 1.00 4.89 H new ATOM 843 N HIS A 53 2.261 -11.805 -12.117 1.00 3.23 N ATOM 844 CA HIS A 53 2.872 -10.468 -12.067 1.00 3.30 C ATOM 845 C HIS A 53 3.015 -9.974 -10.629 1.00 2.67 C ATOM 846 O HIS A 53 2.805 -10.729 -9.677 1.00 3.21 O ATOM 847 CB HIS A 53 2.075 -9.446 -12.895 1.00 4.24 C ATOM 848 CG HIS A 53 2.150 -9.648 -14.388 1.00 4.85 C ATOM 849 ND1 HIS A 53 3.335 -9.719 -15.083 1.00 5.28 N ATOM 850 CD2 HIS A 53 1.172 -9.742 -15.320 1.00 5.52 C ATOM 851 CE1 HIS A 53 3.086 -9.838 -16.374 1.00 6.09 C ATOM 852 NE2 HIS A 53 1.777 -9.851 -16.554 1.00 6.21 N ATOM 0 H HIS A 53 2.915 -12.549 -12.362 1.00 3.23 H new ATOM 0 HA HIS A 53 3.866 -10.561 -12.504 1.00 3.30 H new ATOM 0 HB2 HIS A 53 1.030 -9.487 -12.589 1.00 4.24 H new ATOM 0 HB3 HIS A 53 2.438 -8.446 -12.659 1.00 4.24 H new ATOM 0 HD2 HIS A 53 0.109 -9.733 -15.131 1.00 5.52 H new ATOM 0 HE1 HIS A 53 3.829 -9.912 -17.154 1.00 6.09 H new ATOM 0 HE2 HIS A 53 1.297 -9.928 -17.451 1.00 6.21 H new ATOM 861 N TYR A 54 3.379 -8.703 -10.486 1.00 2.10 N ATOM 862 CA TYR A 54 3.560 -8.086 -9.174 1.00 2.00 C ATOM 863 C TYR A 54 3.042 -6.648 -9.185 1.00 1.62 C ATOM 864 O TYR A 54 3.664 -5.759 -9.773 1.00 1.96 O ATOM 865 CB TYR A 54 5.043 -8.070 -8.768 1.00 2.78 C ATOM 866 CG TYR A 54 5.637 -9.419 -8.460 1.00 3.45 C ATOM 867 CD1 TYR A 54 5.136 -10.203 -7.432 1.00 3.89 C ATOM 868 CD2 TYR A 54 6.718 -9.897 -9.189 1.00 4.24 C ATOM 869 CE1 TYR A 54 5.687 -11.431 -7.141 1.00 4.87 C ATOM 870 CE2 TYR A 54 7.280 -11.131 -8.905 1.00 5.15 C ATOM 871 CZ TYR A 54 6.763 -11.896 -7.883 1.00 5.40 C ATOM 872 OH TYR A 54 7.317 -13.135 -7.609 1.00 6.50 O ATOM 0 H TYR A 54 3.556 -8.075 -11.270 1.00 2.10 H new ATOM 0 HA TYR A 54 2.997 -8.680 -8.454 1.00 2.00 H new ATOM 0 HB2 TYR A 54 5.619 -7.612 -9.572 1.00 2.78 H new ATOM 0 HB3 TYR A 54 5.157 -7.432 -7.892 1.00 2.78 H new ATOM 0 HD1 TYR A 54 4.300 -9.845 -6.850 1.00 3.89 H new ATOM 0 HD2 TYR A 54 7.127 -9.298 -9.989 1.00 4.24 H new ATOM 0 HE1 TYR A 54 5.283 -12.030 -6.338 1.00 4.87 H new ATOM 0 HE2 TYR A 54 8.119 -11.491 -9.482 1.00 5.15 H new ATOM 0 HH TYR A 54 8.061 -13.304 -8.224 1.00 6.50 H new ATOM 882 N SER A 55 1.905 -6.430 -8.560 1.00 1.34 N ATOM 883 CA SER A 55 1.305 -5.106 -8.514 1.00 1.50 C ATOM 884 C SER A 55 2.096 -4.147 -7.624 1.00 1.20 C ATOM 885 O SER A 55 2.566 -4.497 -6.535 1.00 1.33 O ATOM 886 CB SER A 55 -0.154 -5.182 -8.041 1.00 2.13 C ATOM 887 OG SER A 55 -0.963 -5.905 -8.961 1.00 2.61 O ATOM 0 H SER A 55 1.373 -7.152 -8.074 1.00 1.34 H new ATOM 0 HA SER A 55 1.329 -4.712 -9.530 1.00 1.50 H new ATOM 0 HB2 SER A 55 -0.196 -5.661 -7.063 1.00 2.13 H new ATOM 0 HB3 SER A 55 -0.551 -4.174 -7.919 1.00 2.13 H new ATOM 0 HG SER A 55 -1.865 -6.009 -8.592 1.00 2.61 H new ATOM 893 N SER A 56 2.234 -2.932 -8.108 1.00 1.07 N ATOM 894 CA SER A 56 2.947 -1.874 -7.408 1.00 0.91 C ATOM 895 C SER A 56 2.360 -0.526 -7.822 1.00 0.80 C ATOM 896 O SER A 56 2.208 -0.248 -9.014 1.00 0.93 O ATOM 897 CB SER A 56 4.441 -1.944 -7.742 1.00 1.09 C ATOM 898 OG SER A 56 4.989 -3.165 -7.296 1.00 1.73 O ATOM 0 H SER A 56 1.852 -2.643 -9.008 1.00 1.07 H new ATOM 0 HA SER A 56 2.835 -1.996 -6.331 1.00 0.91 H new ATOM 0 HB2 SER A 56 4.584 -1.845 -8.818 1.00 1.09 H new ATOM 0 HB3 SER A 56 4.964 -1.111 -7.273 1.00 1.09 H new ATOM 0 HG SER A 56 5.943 -3.196 -7.518 1.00 1.73 H new ATOM 904 N ILE A 57 2.017 0.292 -6.850 1.00 0.68 N ATOM 905 CA ILE A 57 1.439 1.585 -7.112 1.00 0.67 C ATOM 906 C ILE A 57 2.499 2.666 -7.041 1.00 0.63 C ATOM 907 O ILE A 57 3.193 2.814 -6.032 1.00 0.81 O ATOM 908 CB ILE A 57 0.300 1.889 -6.105 1.00 0.76 C ATOM 909 CG1 ILE A 57 -1.006 1.274 -6.614 1.00 0.92 C ATOM 910 CG2 ILE A 57 0.121 3.393 -5.851 1.00 0.82 C ATOM 911 CD1 ILE A 57 -1.575 1.975 -7.832 1.00 0.81 C ATOM 0 H ILE A 57 2.132 0.077 -5.860 1.00 0.68 H new ATOM 0 HA ILE A 57 1.020 1.572 -8.118 1.00 0.67 H new ATOM 0 HB ILE A 57 0.575 1.443 -5.149 1.00 0.76 H new ATOM 0 HG12 ILE A 57 -0.833 0.225 -6.857 1.00 0.92 H new ATOM 0 HG13 ILE A 57 -1.745 1.298 -5.813 1.00 0.92 H new ATOM 0 HG21 ILE A 57 -0.689 3.548 -5.139 1.00 0.82 H new ATOM 0 HG22 ILE A 57 1.045 3.806 -5.445 1.00 0.82 H new ATOM 0 HG23 ILE A 57 -0.119 3.894 -6.789 1.00 0.82 H new ATOM 0 HD11 ILE A 57 -2.500 1.484 -8.135 1.00 0.81 H new ATOM 0 HD12 ILE A 57 -1.780 3.018 -7.589 1.00 0.81 H new ATOM 0 HD13 ILE A 57 -0.854 1.928 -8.649 1.00 0.81 H new ATOM 923 N ARG A 58 2.609 3.412 -8.129 1.00 0.66 N ATOM 924 CA ARG A 58 3.552 4.507 -8.211 1.00 0.73 C ATOM 925 C ARG A 58 3.236 5.470 -7.089 1.00 0.75 C ATOM 926 O ARG A 58 2.083 5.838 -6.873 1.00 0.91 O ATOM 927 CB ARG A 58 3.422 5.233 -9.535 1.00 0.96 C ATOM 928 CG ARG A 58 4.534 6.218 -9.823 1.00 1.24 C ATOM 929 CD ARG A 58 4.279 6.953 -11.136 1.00 1.86 C ATOM 930 NE ARG A 58 5.187 8.075 -11.343 1.00 2.47 N ATOM 931 CZ ARG A 58 6.506 7.968 -11.482 1.00 2.95 C ATOM 932 NH1 ARG A 58 7.043 6.774 -11.734 1.00 3.22 N ATOM 933 NH2 ARG A 58 7.231 9.075 -11.669 1.00 3.70 N ATOM 0 H ARG A 58 2.051 3.274 -8.971 1.00 0.66 H new ATOM 0 HA ARG A 58 4.568 4.121 -8.131 1.00 0.73 H new ATOM 0 HB2 ARG A 58 3.390 4.496 -10.337 1.00 0.96 H new ATOM 0 HB3 ARG A 58 2.470 5.764 -9.552 1.00 0.96 H new ATOM 0 HG2 ARG A 58 4.610 6.937 -9.007 1.00 1.24 H new ATOM 0 HG3 ARG A 58 5.488 5.692 -9.874 1.00 1.24 H new ATOM 0 HD2 ARG A 58 4.380 6.252 -11.965 1.00 1.86 H new ATOM 0 HD3 ARG A 58 3.251 7.316 -11.150 1.00 1.86 H new ATOM 0 HE ARG A 58 4.782 9.010 -11.384 1.00 2.47 H new ATOM 0 HH11 ARG A 58 6.444 5.953 -11.819 1.00 3.22 H new ATOM 0 HH12 ARG A 58 8.053 6.682 -11.842 1.00 3.22 H new ATOM 0 HH21 ARG A 58 6.772 9.985 -11.703 1.00 3.70 H new ATOM 0 HH22 ARG A 58 8.243 9.010 -11.777 1.00 3.70 H new ATOM 947 N LEU A 59 4.250 5.832 -6.362 1.00 0.85 N ATOM 948 CA LEU A 59 4.097 6.720 -5.222 1.00 1.02 C ATOM 949 C LEU A 59 4.642 8.093 -5.568 1.00 1.15 C ATOM 950 O LEU A 59 5.402 8.685 -4.800 1.00 1.59 O ATOM 951 CB LEU A 59 4.845 6.127 -4.018 1.00 1.28 C ATOM 952 CG LEU A 59 4.590 6.792 -2.653 1.00 1.35 C ATOM 953 CD1 LEU A 59 3.126 6.714 -2.266 1.00 1.35 C ATOM 954 CD2 LEU A 59 5.446 6.134 -1.597 1.00 1.79 C ATOM 0 H LEU A 59 5.209 5.528 -6.532 1.00 0.85 H new ATOM 0 HA LEU A 59 3.042 6.822 -4.968 1.00 1.02 H new ATOM 0 HB2 LEU A 59 4.580 5.073 -3.938 1.00 1.28 H new ATOM 0 HB3 LEU A 59 5.914 6.173 -4.225 1.00 1.28 H new ATOM 0 HG LEU A 59 4.857 7.846 -2.731 1.00 1.35 H new ATOM 0 HD11 LEU A 59 2.980 7.192 -1.298 1.00 1.35 H new ATOM 0 HD12 LEU A 59 2.523 7.224 -3.017 1.00 1.35 H new ATOM 0 HD13 LEU A 59 2.821 5.669 -2.204 1.00 1.35 H new ATOM 0 HD21 LEU A 59 5.262 6.608 -0.633 1.00 1.79 H new ATOM 0 HD22 LEU A 59 5.196 5.075 -1.534 1.00 1.79 H new ATOM 0 HD23 LEU A 59 6.498 6.244 -1.861 1.00 1.79 H new ATOM 966 N ASP A 60 4.283 8.597 -6.741 1.00 1.13 N ATOM 967 CA ASP A 60 4.779 9.875 -7.169 1.00 1.33 C ATOM 968 C ASP A 60 3.664 10.903 -7.322 1.00 1.33 C ATOM 969 O ASP A 60 3.746 11.959 -6.704 1.00 1.56 O ATOM 970 CB ASP A 60 5.539 9.733 -8.490 1.00 1.46 C ATOM 971 CG ASP A 60 5.994 11.070 -9.047 1.00 1.90 C ATOM 972 OD1 ASP A 60 6.738 11.784 -8.351 1.00 2.52 O ATOM 973 OD2 ASP A 60 5.634 11.394 -10.200 1.00 2.27 O ATOM 0 H ASP A 60 3.655 8.137 -7.400 1.00 1.13 H new ATOM 0 HA ASP A 60 5.455 10.234 -6.393 1.00 1.33 H new ATOM 0 HB2 ASP A 60 6.407 9.092 -8.338 1.00 1.46 H new ATOM 0 HB3 ASP A 60 4.900 9.237 -9.221 1.00 1.46 H new ATOM 978 N LYS A 61 2.617 10.621 -8.127 1.00 1.22 N ATOM 979 CA LYS A 61 1.546 11.604 -8.302 1.00 1.28 C ATOM 980 C LYS A 61 0.153 11.011 -8.505 1.00 1.06 C ATOM 981 O LYS A 61 -0.502 11.319 -9.500 1.00 1.27 O ATOM 982 CB LYS A 61 1.860 12.519 -9.480 1.00 1.60 C ATOM 983 CG LYS A 61 2.900 13.568 -9.151 1.00 1.93 C ATOM 984 CD LYS A 61 2.404 14.503 -8.053 1.00 2.55 C ATOM 985 CE LYS A 61 3.465 15.506 -7.639 1.00 3.16 C ATOM 986 NZ LYS A 61 3.075 16.239 -6.406 1.00 3.92 N ATOM 0 H LYS A 61 2.498 9.751 -8.646 1.00 1.22 H new ATOM 0 HA LYS A 61 1.515 12.154 -7.361 1.00 1.28 H new ATOM 0 HB2 LYS A 61 2.211 11.917 -10.318 1.00 1.60 H new ATOM 0 HB3 LYS A 61 0.944 13.012 -9.804 1.00 1.60 H new ATOM 0 HG2 LYS A 61 3.822 13.083 -8.832 1.00 1.93 H new ATOM 0 HG3 LYS A 61 3.136 14.144 -10.045 1.00 1.93 H new ATOM 0 HD2 LYS A 61 1.519 15.035 -8.402 1.00 2.55 H new ATOM 0 HD3 LYS A 61 2.102 13.916 -7.186 1.00 2.55 H new ATOM 0 HE2 LYS A 61 4.410 14.989 -7.472 1.00 3.16 H new ATOM 0 HE3 LYS A 61 3.630 16.217 -8.449 1.00 3.16 H new ATOM 0 HZ1 LYS A 61 3.823 16.915 -6.153 1.00 3.92 H new ATOM 0 HZ2 LYS A 61 2.186 16.753 -6.574 1.00 3.92 H new ATOM 0 HZ3 LYS A 61 2.942 15.563 -5.627 1.00 3.92 H new ATOM 1000 N TYR A 62 -0.335 10.226 -7.562 1.00 0.83 N ATOM 1001 CA TYR A 62 -1.684 9.687 -7.681 1.00 0.69 C ATOM 1002 C TYR A 62 -2.654 10.566 -6.887 1.00 0.67 C ATOM 1003 O TYR A 62 -2.253 11.251 -5.931 1.00 0.83 O ATOM 1004 CB TYR A 62 -1.760 8.240 -7.173 1.00 0.70 C ATOM 1005 CG TYR A 62 -1.320 8.036 -5.739 1.00 0.74 C ATOM 1006 CD1 TYR A 62 -2.169 8.311 -4.681 1.00 1.49 C ATOM 1007 CD2 TYR A 62 -0.045 7.576 -5.452 1.00 1.46 C ATOM 1008 CE1 TYR A 62 -1.755 8.130 -3.371 1.00 1.84 C ATOM 1009 CE2 TYR A 62 0.379 7.387 -4.147 1.00 1.79 C ATOM 1010 CZ TYR A 62 -0.480 7.668 -3.107 1.00 1.66 C ATOM 1011 OH TYR A 62 -0.060 7.483 -1.798 1.00 2.21 O ATOM 0 H TYR A 62 0.168 9.949 -6.719 1.00 0.83 H new ATOM 0 HA TYR A 62 -1.959 9.685 -8.736 1.00 0.69 H new ATOM 0 HB2 TYR A 62 -2.787 7.890 -7.274 1.00 0.70 H new ATOM 0 HB3 TYR A 62 -1.144 7.613 -7.818 1.00 0.70 H new ATOM 0 HD1 TYR A 62 -3.168 8.672 -4.879 1.00 1.49 H new ATOM 0 HD2 TYR A 62 0.633 7.360 -6.264 1.00 1.46 H new ATOM 0 HE1 TYR A 62 -2.429 8.350 -2.556 1.00 1.84 H new ATOM 0 HE2 TYR A 62 1.375 7.022 -3.946 1.00 1.79 H new ATOM 0 HH TYR A 62 0.169 8.350 -1.402 1.00 2.21 H new ATOM 1021 N ASN A 63 -3.922 10.531 -7.268 1.00 0.64 N ATOM 1022 CA ASN A 63 -4.955 11.290 -6.578 1.00 0.73 C ATOM 1023 C ASN A 63 -5.593 10.398 -5.533 1.00 0.64 C ATOM 1024 O ASN A 63 -6.429 9.544 -5.852 1.00 0.73 O ATOM 1025 CB ASN A 63 -6.028 11.806 -7.538 1.00 0.89 C ATOM 1026 CG ASN A 63 -5.499 12.845 -8.519 1.00 1.49 C ATOM 1027 OD1 ASN A 63 -4.798 13.775 -8.127 1.00 2.15 O ATOM 1028 ND2 ASN A 63 -5.845 12.708 -9.794 1.00 2.13 N ATOM 0 H ASN A 63 -4.262 9.981 -8.057 1.00 0.64 H new ATOM 0 HA ASN A 63 -4.490 12.160 -6.114 1.00 0.73 H new ATOM 0 HB2 ASN A 63 -6.443 10.966 -8.095 1.00 0.89 H new ATOM 0 HB3 ASN A 63 -6.845 12.241 -6.962 1.00 0.89 H new ATOM 0 HD21 ASN A 63 -5.527 13.388 -10.485 1.00 2.13 H new ATOM 0 HD22 ASN A 63 -6.428 11.923 -10.083 1.00 2.13 H new ATOM 1035 N ILE A 64 -5.168 10.571 -4.291 1.00 0.74 N ATOM 1036 CA ILE A 64 -5.662 9.758 -3.210 1.00 0.70 C ATOM 1037 C ILE A 64 -6.793 10.453 -2.443 1.00 0.79 C ATOM 1038 O ILE A 64 -6.765 11.665 -2.231 1.00 1.00 O ATOM 1039 CB ILE A 64 -4.518 9.378 -2.230 1.00 0.76 C ATOM 1040 CG1 ILE A 64 -5.073 8.532 -1.089 1.00 0.80 C ATOM 1041 CG2 ILE A 64 -3.812 10.619 -1.702 1.00 0.91 C ATOM 1042 CD1 ILE A 64 -4.004 7.817 -0.298 1.00 1.18 C ATOM 0 H ILE A 64 -4.480 11.271 -4.014 1.00 0.74 H new ATOM 0 HA ILE A 64 -6.064 8.849 -3.657 1.00 0.70 H new ATOM 0 HB ILE A 64 -3.777 8.790 -2.771 1.00 0.76 H new ATOM 0 HG12 ILE A 64 -5.645 9.172 -0.417 1.00 0.80 H new ATOM 0 HG13 ILE A 64 -5.767 7.796 -1.496 1.00 0.80 H new ATOM 0 HG21 ILE A 64 -3.016 10.322 -1.019 1.00 0.91 H new ATOM 0 HG22 ILE A 64 -3.385 11.177 -2.535 1.00 0.91 H new ATOM 0 HG23 ILE A 64 -4.528 11.248 -1.173 1.00 0.91 H new ATOM 0 HD11 ILE A 64 -4.468 7.234 0.497 1.00 1.18 H new ATOM 0 HD12 ILE A 64 -3.447 7.152 -0.958 1.00 1.18 H new ATOM 0 HD13 ILE A 64 -3.324 8.548 0.138 1.00 1.18 H new ATOM 1054 N ARG A 65 -7.774 9.662 -2.024 1.00 0.69 N ATOM 1055 CA ARG A 65 -8.928 10.144 -1.265 1.00 0.80 C ATOM 1056 C ARG A 65 -9.176 9.216 -0.075 1.00 0.68 C ATOM 1057 O ARG A 65 -8.786 8.048 -0.100 1.00 0.71 O ATOM 1058 CB ARG A 65 -10.177 10.190 -2.150 1.00 0.97 C ATOM 1059 CG ARG A 65 -9.956 10.844 -3.513 1.00 1.24 C ATOM 1060 CD ARG A 65 -9.486 12.276 -3.358 1.00 1.78 C ATOM 1061 NE ARG A 65 -8.835 12.778 -4.562 1.00 2.20 N ATOM 1062 CZ ARG A 65 -8.251 13.960 -4.643 1.00 2.86 C ATOM 1063 NH1 ARG A 65 -8.122 14.717 -3.561 1.00 3.32 N ATOM 1064 NH2 ARG A 65 -7.677 14.328 -5.778 1.00 3.57 N ATOM 0 H ARG A 65 -7.793 8.658 -2.202 1.00 0.69 H new ATOM 0 HA ARG A 65 -8.718 11.153 -0.910 1.00 0.80 H new ATOM 0 HB2 ARG A 65 -10.538 9.173 -2.302 1.00 0.97 H new ATOM 0 HB3 ARG A 65 -10.962 10.732 -1.623 1.00 0.97 H new ATOM 0 HG2 ARG A 65 -9.218 10.275 -4.078 1.00 1.24 H new ATOM 0 HG3 ARG A 65 -10.883 10.822 -4.086 1.00 1.24 H new ATOM 0 HD2 ARG A 65 -10.338 12.912 -3.116 1.00 1.78 H new ATOM 0 HD3 ARG A 65 -8.793 12.340 -2.519 1.00 1.78 H new ATOM 0 HE ARG A 65 -8.830 12.182 -5.390 1.00 2.20 H new ATOM 0 HH11 ARG A 65 -8.474 14.387 -2.663 1.00 3.32 H new ATOM 0 HH12 ARG A 65 -7.670 15.629 -3.628 1.00 3.32 H new ATOM 0 HH21 ARG A 65 -7.688 13.700 -6.582 1.00 3.57 H new ATOM 0 HH22 ARG A 65 -7.224 15.239 -5.848 1.00 3.57 H new ATOM 1078 N GLN A 66 -9.807 9.735 0.971 1.00 0.82 N ATOM 1079 CA GLN A 66 -10.091 8.950 2.177 1.00 0.83 C ATOM 1080 C GLN A 66 -11.439 9.342 2.761 1.00 0.99 C ATOM 1081 O GLN A 66 -11.725 10.531 2.931 1.00 1.30 O ATOM 1082 CB GLN A 66 -8.987 9.153 3.232 1.00 0.97 C ATOM 1083 CG GLN A 66 -8.781 10.606 3.646 1.00 1.30 C ATOM 1084 CD GLN A 66 -7.839 11.376 2.726 1.00 1.66 C ATOM 1085 OE1 GLN A 66 -7.788 12.604 2.765 1.00 2.14 O ATOM 1086 NE2 GLN A 66 -7.070 10.665 1.913 1.00 2.45 N ATOM 0 H GLN A 66 -10.135 10.700 1.013 1.00 0.82 H new ATOM 0 HA GLN A 66 -10.118 7.897 1.896 1.00 0.83 H new ATOM 0 HB2 GLN A 66 -9.233 8.566 4.117 1.00 0.97 H new ATOM 0 HB3 GLN A 66 -8.048 8.762 2.840 1.00 0.97 H new ATOM 0 HG2 GLN A 66 -9.747 11.110 3.666 1.00 1.30 H new ATOM 0 HG3 GLN A 66 -8.386 10.633 4.662 1.00 1.30 H new ATOM 0 HE21 GLN A 66 -7.138 9.647 1.907 1.00 2.45 H new ATOM 0 HE22 GLN A 66 -6.410 11.136 1.294 1.00 2.45 H new ATOM 1095 N HIS A 67 -12.273 8.357 3.072 1.00 0.94 N ATOM 1096 CA HIS A 67 -13.582 8.632 3.645 1.00 1.14 C ATOM 1097 C HIS A 67 -13.646 8.114 5.075 1.00 1.30 C ATOM 1098 O HIS A 67 -13.851 6.926 5.305 1.00 1.32 O ATOM 1099 CB HIS A 67 -14.687 7.982 2.815 1.00 1.28 C ATOM 1100 CG HIS A 67 -14.800 8.529 1.425 1.00 1.31 C ATOM 1101 ND1 HIS A 67 -15.349 9.760 1.145 1.00 1.60 N ATOM 1102 CD2 HIS A 67 -14.445 8.005 0.229 1.00 1.36 C ATOM 1103 CE1 HIS A 67 -15.335 9.956 -0.157 1.00 1.79 C ATOM 1104 NE2 HIS A 67 -14.792 8.914 -0.731 1.00 1.61 N ATOM 0 H HIS A 67 -12.067 7.367 2.938 1.00 0.94 H new ATOM 0 HA HIS A 67 -13.733 9.711 3.643 1.00 1.14 H new ATOM 0 HB2 HIS A 67 -14.503 6.909 2.759 1.00 1.28 H new ATOM 0 HB3 HIS A 67 -15.640 8.116 3.327 1.00 1.28 H new ATOM 0 HD2 HIS A 67 -13.975 7.047 0.064 1.00 1.36 H new ATOM 0 HE1 HIS A 67 -15.710 10.832 -0.666 1.00 1.79 H new ATOM 0 HE2 HIS A 67 -14.650 8.798 -1.734 1.00 1.61 H new ATOM 1113 N THR A 68 -13.451 9.000 6.032 1.00 1.74 N ATOM 1114 CA THR A 68 -13.470 8.624 7.436 1.00 2.04 C ATOM 1115 C THR A 68 -14.882 8.751 8.008 1.00 1.92 C ATOM 1116 O THR A 68 -15.109 9.444 9.003 1.00 2.16 O ATOM 1117 CB THR A 68 -12.499 9.514 8.194 1.00 2.74 C ATOM 1118 OG1 THR A 68 -11.333 9.751 7.421 1.00 3.12 O ATOM 1119 CG2 THR A 68 -12.066 8.924 9.513 1.00 3.23 C ATOM 0 H THR A 68 -13.277 9.991 5.864 1.00 1.74 H new ATOM 0 HA THR A 68 -13.165 7.583 7.540 1.00 2.04 H new ATOM 0 HB THR A 68 -13.037 10.442 8.388 1.00 2.74 H new ATOM 0 HG1 THR A 68 -10.719 10.327 7.923 1.00 3.12 H new ATOM 0 HG21 THR A 68 -11.374 9.606 10.007 1.00 3.23 H new ATOM 0 HG22 THR A 68 -12.939 8.771 10.147 1.00 3.23 H new ATOM 0 HG23 THR A 68 -11.572 7.968 9.339 1.00 3.23 H new ATOM 1127 N THR A 69 -15.831 8.086 7.357 1.00 2.34 N ATOM 1128 CA THR A 69 -17.216 8.128 7.765 1.00 2.58 C ATOM 1129 C THR A 69 -17.529 7.022 8.769 1.00 2.35 C ATOM 1130 O THR A 69 -18.420 7.166 9.603 1.00 2.76 O ATOM 1131 CB THR A 69 -18.120 7.998 6.527 1.00 3.11 C ATOM 1132 OG1 THR A 69 -17.737 6.876 5.748 1.00 3.61 O ATOM 1133 CG2 THR A 69 -18.082 9.213 5.622 1.00 3.69 C ATOM 0 H THR A 69 -15.655 7.507 6.536 1.00 2.34 H new ATOM 0 HA THR A 69 -17.405 9.083 8.254 1.00 2.58 H new ATOM 0 HB THR A 69 -19.131 7.889 6.918 1.00 3.11 H new ATOM 0 HG1 THR A 69 -18.323 6.806 4.965 1.00 3.61 H new ATOM 0 HG21 THR A 69 -18.742 9.053 4.770 1.00 3.69 H new ATOM 0 HG22 THR A 69 -18.413 10.091 6.177 1.00 3.69 H new ATOM 0 HG23 THR A 69 -17.063 9.371 5.267 1.00 3.69 H new ATOM 1141 N ASP A 70 -16.793 5.917 8.675 1.00 2.34 N ATOM 1142 CA ASP A 70 -16.986 4.769 9.565 1.00 2.43 C ATOM 1143 C ASP A 70 -15.750 3.890 9.529 1.00 2.17 C ATOM 1144 O ASP A 70 -14.918 3.918 10.439 1.00 2.45 O ATOM 1145 CB ASP A 70 -18.208 3.950 9.136 1.00 3.01 C ATOM 1146 CG ASP A 70 -18.495 2.757 10.040 1.00 3.63 C ATOM 1147 OD1 ASP A 70 -17.852 2.625 11.100 1.00 3.96 O ATOM 1148 OD2 ASP A 70 -19.398 1.963 9.701 1.00 4.26 O ATOM 0 H ASP A 70 -16.051 5.790 7.987 1.00 2.34 H new ATOM 0 HA ASP A 70 -17.152 5.136 10.578 1.00 2.43 H new ATOM 0 HB2 ASP A 70 -19.082 4.600 9.119 1.00 3.01 H new ATOM 0 HB3 ASP A 70 -18.056 3.594 8.117 1.00 3.01 H new ATOM 1153 N GLU A 71 -15.614 3.138 8.451 1.00 2.04 N ATOM 1154 CA GLU A 71 -14.466 2.283 8.270 1.00 2.00 C ATOM 1155 C GLU A 71 -13.437 3.037 7.437 1.00 1.55 C ATOM 1156 O GLU A 71 -13.732 3.456 6.320 1.00 1.90 O ATOM 1157 CB GLU A 71 -14.882 0.967 7.600 1.00 2.69 C ATOM 1158 CG GLU A 71 -15.851 0.140 8.448 1.00 3.30 C ATOM 1159 CD GLU A 71 -16.513 -0.983 7.670 1.00 3.99 C ATOM 1160 OE1 GLU A 71 -16.222 -1.137 6.463 1.00 4.50 O ATOM 1161 OE2 GLU A 71 -17.349 -1.709 8.249 1.00 4.40 O ATOM 0 H GLU A 71 -16.290 3.106 7.688 1.00 2.04 H new ATOM 0 HA GLU A 71 -14.026 2.025 9.234 1.00 2.00 H new ATOM 0 HB2 GLU A 71 -15.347 1.187 6.639 1.00 2.69 H new ATOM 0 HB3 GLU A 71 -13.991 0.374 7.395 1.00 2.69 H new ATOM 0 HG2 GLU A 71 -15.313 -0.282 9.297 1.00 3.30 H new ATOM 0 HG3 GLU A 71 -16.621 0.796 8.853 1.00 3.30 H new ATOM 1168 N ASP A 72 -12.257 3.242 8.017 1.00 1.31 N ATOM 1169 CA ASP A 72 -11.169 3.982 7.374 1.00 1.10 C ATOM 1170 C ASP A 72 -10.876 3.441 5.980 1.00 0.90 C ATOM 1171 O ASP A 72 -10.123 2.472 5.815 1.00 1.26 O ATOM 1172 CB ASP A 72 -9.897 3.903 8.228 1.00 1.58 C ATOM 1173 CG ASP A 72 -10.118 4.262 9.684 1.00 2.08 C ATOM 1174 OD1 ASP A 72 -10.584 5.385 9.973 1.00 2.67 O ATOM 1175 OD2 ASP A 72 -9.822 3.417 10.552 1.00 2.64 O ATOM 0 H ASP A 72 -12.026 2.899 8.949 1.00 1.31 H new ATOM 0 HA ASP A 72 -11.486 5.021 7.282 1.00 1.10 H new ATOM 0 HB2 ASP A 72 -9.493 2.892 8.169 1.00 1.58 H new ATOM 0 HB3 ASP A 72 -9.146 4.572 7.808 1.00 1.58 H new ATOM 1180 N THR A 73 -11.491 4.057 4.982 1.00 0.74 N ATOM 1181 CA THR A 73 -11.326 3.628 3.603 1.00 0.65 C ATOM 1182 C THR A 73 -10.450 4.582 2.801 1.00 0.60 C ATOM 1183 O THR A 73 -10.745 5.780 2.688 1.00 0.79 O ATOM 1184 CB THR A 73 -12.695 3.508 2.945 1.00 0.79 C ATOM 1185 OG1 THR A 73 -13.550 2.710 3.744 1.00 0.89 O ATOM 1186 CG2 THR A 73 -12.662 2.896 1.555 1.00 0.94 C ATOM 0 H THR A 73 -12.111 4.858 5.103 1.00 0.74 H new ATOM 0 HA THR A 73 -10.824 2.660 3.614 1.00 0.65 H new ATOM 0 HB THR A 73 -13.060 4.531 2.852 1.00 0.79 H new ATOM 0 HG1 THR A 73 -13.808 3.210 4.547 1.00 0.89 H new ATOM 0 HG21 THR A 73 -13.675 2.845 1.156 1.00 0.94 H new ATOM 0 HG22 THR A 73 -12.044 3.512 0.901 1.00 0.94 H new ATOM 0 HG23 THR A 73 -12.243 1.891 1.610 1.00 0.94 H new ATOM 1194 N ILE A 74 -9.386 4.028 2.234 1.00 0.53 N ATOM 1195 CA ILE A 74 -8.453 4.778 1.418 1.00 0.52 C ATOM 1196 C ILE A 74 -8.629 4.407 -0.052 1.00 0.50 C ATOM 1197 O ILE A 74 -8.613 3.224 -0.397 1.00 0.66 O ATOM 1198 CB ILE A 74 -6.978 4.516 1.844 1.00 0.62 C ATOM 1199 CG1 ILE A 74 -6.720 5.113 3.223 1.00 0.79 C ATOM 1200 CG2 ILE A 74 -6.011 5.074 0.814 1.00 0.73 C ATOM 1201 CD1 ILE A 74 -6.831 6.611 3.265 1.00 0.99 C ATOM 0 H ILE A 74 -9.149 3.041 2.331 1.00 0.53 H new ATOM 0 HA ILE A 74 -8.667 5.837 1.562 1.00 0.52 H new ATOM 0 HB ILE A 74 -6.814 3.440 1.899 1.00 0.62 H new ATOM 0 HG12 ILE A 74 -7.429 4.685 3.932 1.00 0.79 H new ATOM 0 HG13 ILE A 74 -5.723 4.822 3.554 1.00 0.79 H new ATOM 0 HG21 ILE A 74 -4.987 4.879 1.133 1.00 0.73 H new ATOM 0 HG22 ILE A 74 -6.188 4.595 -0.149 1.00 0.73 H new ATOM 0 HG23 ILE A 74 -6.163 6.149 0.718 1.00 0.73 H new ATOM 0 HD11 ILE A 74 -6.634 6.962 4.278 1.00 0.99 H new ATOM 0 HD12 ILE A 74 -6.104 7.049 2.582 1.00 0.99 H new ATOM 0 HD13 ILE A 74 -7.836 6.910 2.966 1.00 0.99 H new ATOM 1213 N VAL A 75 -8.786 5.409 -0.910 1.00 0.42 N ATOM 1214 CA VAL A 75 -8.943 5.182 -2.324 1.00 0.45 C ATOM 1215 C VAL A 75 -7.945 6.041 -3.085 1.00 0.46 C ATOM 1216 O VAL A 75 -7.538 7.095 -2.612 1.00 0.59 O ATOM 1217 CB VAL A 75 -10.372 5.500 -2.822 1.00 0.55 C ATOM 1218 CG1 VAL A 75 -11.427 4.939 -1.879 1.00 0.61 C ATOM 1219 CG2 VAL A 75 -10.577 6.991 -3.022 1.00 1.19 C ATOM 0 H VAL A 75 -8.807 6.392 -0.638 1.00 0.42 H new ATOM 0 HA VAL A 75 -8.762 4.123 -2.506 1.00 0.45 H new ATOM 0 HB VAL A 75 -10.487 5.012 -3.790 1.00 0.55 H new ATOM 0 HG11 VAL A 75 -12.420 5.180 -2.259 1.00 0.61 H new ATOM 0 HG12 VAL A 75 -11.317 3.857 -1.813 1.00 0.61 H new ATOM 0 HG13 VAL A 75 -11.301 5.378 -0.889 1.00 0.61 H new ATOM 0 HG21 VAL A 75 -11.593 7.175 -3.372 1.00 1.19 H new ATOM 0 HG22 VAL A 75 -10.420 7.510 -2.076 1.00 1.19 H new ATOM 0 HG23 VAL A 75 -9.866 7.360 -3.761 1.00 1.19 H new ATOM 1229 N LEU A 76 -7.552 5.590 -4.253 1.00 0.51 N ATOM 1230 CA LEU A 76 -6.606 6.313 -5.080 1.00 0.58 C ATOM 1231 C LEU A 76 -6.976 6.078 -6.522 1.00 0.59 C ATOM 1232 O LEU A 76 -7.261 4.946 -6.907 1.00 0.68 O ATOM 1233 CB LEU A 76 -5.167 5.869 -4.803 1.00 0.74 C ATOM 1234 CG LEU A 76 -4.944 4.360 -4.826 1.00 0.86 C ATOM 1235 CD1 LEU A 76 -3.552 4.030 -5.341 1.00 1.04 C ATOM 1236 CD2 LEU A 76 -5.161 3.747 -3.444 1.00 0.75 C ATOM 0 H LEU A 76 -7.877 4.713 -4.659 1.00 0.51 H new ATOM 0 HA LEU A 76 -6.653 7.377 -4.849 1.00 0.58 H new ATOM 0 HB2 LEU A 76 -4.512 6.330 -5.542 1.00 0.74 H new ATOM 0 HB3 LEU A 76 -4.866 6.251 -3.828 1.00 0.74 H new ATOM 0 HG LEU A 76 -5.678 3.926 -5.506 1.00 0.86 H new ATOM 0 HD11 LEU A 76 -3.414 2.949 -5.349 1.00 1.04 H new ATOM 0 HD12 LEU A 76 -3.437 4.418 -6.353 1.00 1.04 H new ATOM 0 HD13 LEU A 76 -2.806 4.486 -4.690 1.00 1.04 H new ATOM 0 HD21 LEU A 76 -4.995 2.671 -3.493 1.00 0.75 H new ATOM 0 HD22 LEU A 76 -4.461 4.190 -2.735 1.00 0.75 H new ATOM 0 HD23 LEU A 76 -6.182 3.942 -3.116 1.00 0.75 H new ATOM 1248 N GLN A 77 -7.041 7.144 -7.303 1.00 0.62 N ATOM 1249 CA GLN A 77 -7.452 6.990 -8.681 1.00 0.74 C ATOM 1250 C GLN A 77 -6.270 7.089 -9.673 1.00 0.78 C ATOM 1251 O GLN A 77 -5.682 6.061 -9.985 1.00 1.06 O ATOM 1252 CB GLN A 77 -8.599 7.944 -9.011 1.00 0.93 C ATOM 1253 CG GLN A 77 -9.304 7.631 -10.333 1.00 1.36 C ATOM 1254 CD GLN A 77 -10.182 8.771 -10.807 1.00 1.61 C ATOM 1255 OE1 GLN A 77 -9.726 9.908 -10.973 1.00 2.19 O ATOM 1256 NE2 GLN A 77 -11.437 8.476 -11.062 1.00 2.03 N ATOM 0 H GLN A 77 -6.821 8.097 -7.014 1.00 0.62 H new ATOM 0 HA GLN A 77 -7.832 5.976 -8.803 1.00 0.74 H new ATOM 0 HB2 GLN A 77 -9.330 7.910 -8.204 1.00 0.93 H new ATOM 0 HB3 GLN A 77 -8.212 8.962 -9.049 1.00 0.93 H new ATOM 0 HG2 GLN A 77 -8.557 7.411 -11.096 1.00 1.36 H new ATOM 0 HG3 GLN A 77 -9.912 6.734 -10.213 1.00 1.36 H new ATOM 0 HE21 GLN A 77 -11.778 7.526 -10.913 1.00 2.03 H new ATOM 0 HE22 GLN A 77 -12.070 9.197 -11.409 1.00 2.03 H new ATOM 1265 N PRO A 78 -5.908 8.264 -10.260 1.00 0.85 N ATOM 1266 CA PRO A 78 -4.853 8.322 -11.237 1.00 0.99 C ATOM 1267 C PRO A 78 -3.575 9.042 -10.821 1.00 1.02 C ATOM 1268 O PRO A 78 -3.484 9.687 -9.791 1.00 1.34 O ATOM 1269 CB PRO A 78 -5.549 9.126 -12.312 1.00 1.43 C ATOM 1270 CG PRO A 78 -6.355 10.124 -11.555 1.00 1.60 C ATOM 1271 CD PRO A 78 -6.496 9.601 -10.146 1.00 1.20 C ATOM 0 HA PRO A 78 -4.486 7.326 -11.486 1.00 0.99 H new ATOM 0 HB2 PRO A 78 -4.832 9.612 -12.973 1.00 1.43 H new ATOM 0 HB3 PRO A 78 -6.181 8.494 -12.936 1.00 1.43 H new ATOM 0 HG2 PRO A 78 -5.865 11.097 -11.558 1.00 1.60 H new ATOM 0 HG3 PRO A 78 -7.334 10.259 -12.016 1.00 1.60 H new ATOM 0 HD2 PRO A 78 -5.964 10.221 -9.425 1.00 1.20 H new ATOM 0 HD3 PRO A 78 -7.537 9.563 -9.827 1.00 1.20 H new ATOM 1279 N GLN A 79 -2.660 8.950 -11.757 1.00 1.17 N ATOM 1280 CA GLN A 79 -1.328 9.560 -11.783 1.00 1.56 C ATOM 1281 C GLN A 79 -1.107 9.814 -13.247 1.00 1.66 C ATOM 1282 O GLN A 79 -0.742 10.899 -13.697 1.00 2.02 O ATOM 1283 CB GLN A 79 -0.231 8.616 -11.268 1.00 2.04 C ATOM 1284 CG GLN A 79 -0.718 7.584 -10.291 1.00 2.20 C ATOM 1285 CD GLN A 79 0.368 7.091 -9.369 1.00 2.84 C ATOM 1286 OE1 GLN A 79 1.185 7.873 -8.882 1.00 3.22 O ATOM 1287 NE2 GLN A 79 0.374 5.796 -9.103 1.00 3.46 N ATOM 0 H GLN A 79 -2.832 8.401 -12.599 1.00 1.17 H new ATOM 0 HA GLN A 79 -1.279 10.443 -11.146 1.00 1.56 H new ATOM 0 HB2 GLN A 79 0.225 8.109 -12.118 1.00 2.04 H new ATOM 0 HB3 GLN A 79 0.551 9.209 -10.794 1.00 2.04 H new ATOM 0 HG2 GLN A 79 -1.528 8.007 -9.697 1.00 2.20 H new ATOM 0 HG3 GLN A 79 -1.133 6.739 -10.840 1.00 2.20 H new ATOM 0 HE21 GLN A 79 -0.322 5.185 -9.529 1.00 3.46 H new ATOM 0 HE22 GLN A 79 1.075 5.408 -8.472 1.00 3.46 H new ATOM 1296 N GLU A 80 -1.433 8.762 -13.976 1.00 1.50 N ATOM 1297 CA GLU A 80 -1.406 8.742 -15.425 1.00 1.81 C ATOM 1298 C GLU A 80 -2.754 8.205 -15.912 1.00 1.62 C ATOM 1299 O GLU A 80 -3.279 7.250 -15.329 1.00 1.78 O ATOM 1300 CB GLU A 80 -0.278 7.843 -15.933 1.00 2.37 C ATOM 1301 CG GLU A 80 -0.298 7.616 -17.437 1.00 3.06 C ATOM 1302 CD GLU A 80 0.703 6.567 -17.877 1.00 3.86 C ATOM 1303 OE1 GLU A 80 1.922 6.833 -17.826 1.00 4.42 O ATOM 1304 OE2 GLU A 80 0.278 5.458 -18.258 1.00 4.35 O ATOM 0 H GLU A 80 -1.731 7.877 -13.566 1.00 1.50 H new ATOM 0 HA GLU A 80 -1.230 9.748 -15.805 1.00 1.81 H new ATOM 0 HB2 GLU A 80 0.679 8.286 -15.655 1.00 2.37 H new ATOM 0 HB3 GLU A 80 -0.341 6.878 -15.429 1.00 2.37 H new ATOM 0 HG2 GLU A 80 -1.299 7.310 -17.742 1.00 3.06 H new ATOM 0 HG3 GLU A 80 -0.083 8.555 -17.946 1.00 3.06 H new ATOM 1311 N PRO A 81 -3.344 8.809 -16.955 1.00 1.93 N ATOM 1312 CA PRO A 81 -4.638 8.379 -17.485 1.00 2.28 C ATOM 1313 C PRO A 81 -4.642 6.902 -17.873 1.00 2.24 C ATOM 1314 O PRO A 81 -3.933 6.486 -18.793 1.00 2.80 O ATOM 1315 CB PRO A 81 -4.853 9.271 -18.714 1.00 2.89 C ATOM 1316 CG PRO A 81 -3.957 10.446 -18.520 1.00 3.10 C ATOM 1317 CD PRO A 81 -2.805 9.968 -17.681 1.00 2.53 C ATOM 0 HA PRO A 81 -5.431 8.477 -16.744 1.00 2.28 H new ATOM 0 HB2 PRO A 81 -4.607 8.738 -19.633 1.00 2.89 H new ATOM 0 HB3 PRO A 81 -5.895 9.582 -18.795 1.00 2.89 H new ATOM 0 HG2 PRO A 81 -3.607 10.829 -19.478 1.00 3.10 H new ATOM 0 HG3 PRO A 81 -4.486 11.260 -18.025 1.00 3.10 H new ATOM 0 HD2 PRO A 81 -1.951 9.689 -18.299 1.00 2.53 H new ATOM 0 HD3 PRO A 81 -2.463 10.743 -16.996 1.00 2.53 H new ATOM 1325 N GLY A 82 -5.428 6.105 -17.157 1.00 1.99 N ATOM 1326 CA GLY A 82 -5.487 4.684 -17.435 1.00 2.10 C ATOM 1327 C GLY A 82 -5.217 3.857 -16.190 1.00 1.96 C ATOM 1328 O GLY A 82 -5.019 2.643 -16.264 1.00 2.51 O ATOM 0 H GLY A 82 -6.024 6.418 -16.391 1.00 1.99 H new ATOM 0 HA2 GLY A 82 -6.470 4.432 -17.834 1.00 2.10 H new ATOM 0 HA3 GLY A 82 -4.757 4.433 -18.204 1.00 2.10 H new ATOM 1332 N LEU A 83 -5.215 4.524 -15.037 1.00 1.57 N ATOM 1333 CA LEU A 83 -4.987 3.869 -13.757 1.00 1.40 C ATOM 1334 C LEU A 83 -6.320 3.726 -13.008 1.00 1.22 C ATOM 1335 O LEU A 83 -7.076 4.693 -12.873 1.00 1.13 O ATOM 1336 CB LEU A 83 -3.981 4.683 -12.929 1.00 1.31 C ATOM 1337 CG LEU A 83 -3.535 4.060 -11.612 1.00 1.47 C ATOM 1338 CD1 LEU A 83 -2.718 2.797 -11.858 1.00 1.86 C ATOM 1339 CD2 LEU A 83 -2.727 5.067 -10.788 1.00 1.26 C ATOM 0 H LEU A 83 -5.371 5.530 -14.967 1.00 1.57 H new ATOM 0 HA LEU A 83 -4.572 2.875 -13.922 1.00 1.40 H new ATOM 0 HB2 LEU A 83 -3.097 4.860 -13.541 1.00 1.31 H new ATOM 0 HB3 LEU A 83 -4.421 5.657 -12.716 1.00 1.31 H new ATOM 0 HG LEU A 83 -4.426 3.785 -11.048 1.00 1.47 H new ATOM 0 HD11 LEU A 83 -2.411 2.370 -10.903 1.00 1.86 H new ATOM 0 HD12 LEU A 83 -3.324 2.072 -12.401 1.00 1.86 H new ATOM 0 HD13 LEU A 83 -1.834 3.044 -12.446 1.00 1.86 H new ATOM 0 HD21 LEU A 83 -2.417 4.605 -9.851 1.00 1.26 H new ATOM 0 HD22 LEU A 83 -1.845 5.373 -11.351 1.00 1.26 H new ATOM 0 HD23 LEU A 83 -3.343 5.941 -10.575 1.00 1.26 H new ATOM 1351 N PRO A 84 -6.622 2.516 -12.528 1.00 1.33 N ATOM 1352 CA PRO A 84 -7.858 2.234 -11.805 1.00 1.29 C ATOM 1353 C PRO A 84 -7.803 2.726 -10.368 1.00 1.09 C ATOM 1354 O PRO A 84 -6.747 3.130 -9.876 1.00 1.15 O ATOM 1355 CB PRO A 84 -7.928 0.709 -11.837 1.00 1.58 C ATOM 1356 CG PRO A 84 -6.507 0.276 -11.851 1.00 1.75 C ATOM 1357 CD PRO A 84 -5.775 1.316 -12.652 1.00 1.64 C ATOM 0 HA PRO A 84 -8.721 2.731 -12.248 1.00 1.29 H new ATOM 0 HB2 PRO A 84 -8.455 0.317 -10.967 1.00 1.58 H new ATOM 0 HB3 PRO A 84 -8.461 0.354 -12.719 1.00 1.58 H new ATOM 0 HG2 PRO A 84 -6.108 0.208 -10.839 1.00 1.75 H new ATOM 0 HG3 PRO A 84 -6.402 -0.711 -12.302 1.00 1.75 H new ATOM 0 HD2 PRO A 84 -4.773 1.491 -12.260 1.00 1.64 H new ATOM 0 HD3 PRO A 84 -5.661 1.012 -13.693 1.00 1.64 H new ATOM 1365 N SER A 85 -8.943 2.684 -9.697 1.00 0.99 N ATOM 1366 CA SER A 85 -9.028 3.127 -8.326 1.00 0.88 C ATOM 1367 C SER A 85 -9.509 2.006 -7.413 1.00 0.63 C ATOM 1368 O SER A 85 -10.654 1.557 -7.503 1.00 0.82 O ATOM 1369 CB SER A 85 -9.963 4.333 -8.250 1.00 1.23 C ATOM 1370 OG SER A 85 -11.212 4.053 -8.865 1.00 1.43 O ATOM 0 H SER A 85 -9.823 2.345 -10.087 1.00 0.99 H new ATOM 0 HA SER A 85 -8.035 3.417 -7.982 1.00 0.88 H new ATOM 0 HB2 SER A 85 -10.122 4.609 -7.207 1.00 1.23 H new ATOM 0 HB3 SER A 85 -9.498 5.189 -8.739 1.00 1.23 H new ATOM 0 HG SER A 85 -11.493 3.143 -8.635 1.00 1.43 H new ATOM 1376 N PHE A 86 -8.640 1.550 -6.527 1.00 0.53 N ATOM 1377 CA PHE A 86 -9.009 0.479 -5.602 1.00 0.64 C ATOM 1378 C PHE A 86 -9.138 1.021 -4.179 1.00 0.57 C ATOM 1379 O PHE A 86 -8.552 2.048 -3.843 1.00 0.63 O ATOM 1380 CB PHE A 86 -8.021 -0.691 -5.670 1.00 1.04 C ATOM 1381 CG PHE A 86 -6.754 -0.532 -4.895 1.00 0.74 C ATOM 1382 CD1 PHE A 86 -5.794 0.381 -5.274 1.00 1.30 C ATOM 1383 CD2 PHE A 86 -6.531 -1.318 -3.784 1.00 1.41 C ATOM 1384 CE1 PHE A 86 -4.626 0.508 -4.553 1.00 1.36 C ATOM 1385 CE2 PHE A 86 -5.357 -1.196 -3.049 1.00 1.36 C ATOM 1386 CZ PHE A 86 -4.408 -0.281 -3.435 1.00 0.75 C ATOM 0 H PHE A 86 -7.686 1.895 -6.425 1.00 0.53 H new ATOM 0 HA PHE A 86 -9.981 0.092 -5.906 1.00 0.64 H new ATOM 0 HB2 PHE A 86 -8.528 -1.588 -5.316 1.00 1.04 H new ATOM 0 HB3 PHE A 86 -7.764 -0.861 -6.715 1.00 1.04 H new ATOM 0 HD1 PHE A 86 -5.958 1.002 -6.142 1.00 1.30 H new ATOM 0 HD2 PHE A 86 -7.278 -2.037 -3.481 1.00 1.41 H new ATOM 0 HE1 PHE A 86 -3.879 1.225 -4.860 1.00 1.36 H new ATOM 0 HE2 PHE A 86 -5.192 -1.816 -2.180 1.00 1.36 H new ATOM 0 HZ PHE A 86 -3.494 -0.177 -2.869 1.00 0.75 H new ATOM 1396 N ARG A 87 -9.945 0.351 -3.366 1.00 0.60 N ATOM 1397 CA ARG A 87 -10.192 0.796 -2.004 1.00 0.57 C ATOM 1398 C ARG A 87 -9.562 -0.126 -0.984 1.00 0.57 C ATOM 1399 O ARG A 87 -9.577 -1.334 -1.146 1.00 0.79 O ATOM 1400 CB ARG A 87 -11.696 0.839 -1.747 1.00 0.68 C ATOM 1401 CG ARG A 87 -12.469 1.590 -2.799 1.00 1.18 C ATOM 1402 CD ARG A 87 -13.941 1.244 -2.738 1.00 1.24 C ATOM 1403 NE ARG A 87 -14.719 1.958 -3.750 1.00 1.36 N ATOM 1404 CZ ARG A 87 -16.037 1.828 -3.894 1.00 1.70 C ATOM 1405 NH1 ARG A 87 -16.643 0.745 -3.424 1.00 2.00 N ATOM 1406 NH2 ARG A 87 -16.656 2.545 -4.819 1.00 2.41 N ATOM 0 H ARG A 87 -10.439 -0.502 -3.628 1.00 0.60 H new ATOM 0 HA ARG A 87 -9.747 1.786 -1.899 1.00 0.57 H new ATOM 0 HB2 ARG A 87 -12.075 -0.181 -1.689 1.00 0.68 H new ATOM 0 HB3 ARG A 87 -11.877 1.301 -0.777 1.00 0.68 H new ATOM 0 HG2 ARG A 87 -12.337 2.663 -2.656 1.00 1.18 H new ATOM 0 HG3 ARG A 87 -12.075 1.349 -3.786 1.00 1.18 H new ATOM 0 HD2 ARG A 87 -14.066 0.170 -2.877 1.00 1.24 H new ATOM 0 HD3 ARG A 87 -14.328 1.485 -1.748 1.00 1.24 H new ATOM 0 HE ARG A 87 -14.225 2.590 -4.380 1.00 1.36 H new ATOM 0 HH11 ARG A 87 -16.100 0.019 -2.956 1.00 2.00 H new ATOM 0 HH12 ARG A 87 -17.652 0.638 -3.530 1.00 2.00 H new ATOM 0 HH21 ARG A 87 -16.124 3.185 -5.409 1.00 2.41 H new ATOM 0 HH22 ARG A 87 -17.665 2.457 -4.942 1.00 2.41 H new ATOM 1420 N ILE A 88 -9.033 0.442 0.079 1.00 0.52 N ATOM 1421 CA ILE A 88 -8.445 -0.360 1.136 1.00 0.54 C ATOM 1422 C ILE A 88 -9.021 0.048 2.486 1.00 0.59 C ATOM 1423 O ILE A 88 -8.938 1.211 2.892 1.00 0.68 O ATOM 1424 CB ILE A 88 -6.902 -0.299 1.154 1.00 0.59 C ATOM 1425 CG1 ILE A 88 -6.410 1.108 0.808 1.00 0.63 C ATOM 1426 CG2 ILE A 88 -6.325 -1.346 0.191 1.00 0.65 C ATOM 1427 CD1 ILE A 88 -4.908 1.249 0.833 1.00 0.74 C ATOM 0 H ILE A 88 -8.997 1.449 0.236 1.00 0.52 H new ATOM 0 HA ILE A 88 -8.706 -1.398 0.931 1.00 0.54 H new ATOM 0 HB ILE A 88 -6.551 -0.529 2.160 1.00 0.59 H new ATOM 0 HG12 ILE A 88 -6.775 1.377 -0.183 1.00 0.63 H new ATOM 0 HG13 ILE A 88 -6.844 1.818 1.511 1.00 0.63 H new ATOM 0 HG21 ILE A 88 -5.236 -1.297 0.210 1.00 0.65 H new ATOM 0 HG22 ILE A 88 -6.648 -2.340 0.499 1.00 0.65 H new ATOM 0 HG23 ILE A 88 -6.680 -1.145 -0.820 1.00 0.65 H new ATOM 0 HD11 ILE A 88 -4.634 2.273 0.578 1.00 0.74 H new ATOM 0 HD12 ILE A 88 -4.537 1.012 1.830 1.00 0.74 H new ATOM 0 HD13 ILE A 88 -4.466 0.564 0.109 1.00 0.74 H new ATOM 1439 N LYS A 89 -9.621 -0.922 3.171 1.00 0.62 N ATOM 1440 CA LYS A 89 -10.223 -0.686 4.480 1.00 0.74 C ATOM 1441 C LYS A 89 -9.628 -1.678 5.475 1.00 0.85 C ATOM 1442 O LYS A 89 -8.946 -2.604 5.059 1.00 0.96 O ATOM 1443 CB LYS A 89 -11.767 -0.775 4.414 1.00 0.95 C ATOM 1444 CG LYS A 89 -12.340 -2.184 4.393 1.00 1.31 C ATOM 1445 CD LYS A 89 -13.782 -2.190 4.892 1.00 1.68 C ATOM 1446 CE LYS A 89 -14.409 -3.580 4.830 1.00 1.89 C ATOM 1447 NZ LYS A 89 -15.771 -3.590 5.404 1.00 2.46 N ATOM 0 H LYS A 89 -9.703 -1.883 2.839 1.00 0.62 H new ATOM 0 HA LYS A 89 -9.996 0.326 4.814 1.00 0.74 H new ATOM 0 HB2 LYS A 89 -12.181 -0.245 5.272 1.00 0.95 H new ATOM 0 HB3 LYS A 89 -12.106 -0.250 3.521 1.00 0.95 H new ATOM 0 HG2 LYS A 89 -12.300 -2.583 3.379 1.00 1.31 H new ATOM 0 HG3 LYS A 89 -11.732 -2.838 5.017 1.00 1.31 H new ATOM 0 HD2 LYS A 89 -13.811 -1.826 5.919 1.00 1.68 H new ATOM 0 HD3 LYS A 89 -14.375 -1.499 4.293 1.00 1.68 H new ATOM 0 HE2 LYS A 89 -14.448 -3.916 3.794 1.00 1.89 H new ATOM 0 HE3 LYS A 89 -13.781 -4.287 5.371 1.00 1.89 H new ATOM 0 HZ1 LYS A 89 -15.759 -4.086 6.318 1.00 2.46 H new ATOM 0 HZ2 LYS A 89 -16.095 -2.612 5.545 1.00 2.46 H new ATOM 0 HZ3 LYS A 89 -16.418 -4.079 4.753 1.00 2.46 H new ATOM 1461 N PRO A 90 -9.831 -1.489 6.796 1.00 1.06 N ATOM 1462 CA PRO A 90 -9.254 -2.369 7.830 1.00 1.30 C ATOM 1463 C PRO A 90 -9.900 -3.742 7.929 1.00 1.47 C ATOM 1464 O PRO A 90 -9.623 -4.474 8.873 1.00 1.94 O ATOM 1465 CB PRO A 90 -9.508 -1.597 9.126 1.00 1.59 C ATOM 1466 CG PRO A 90 -10.704 -0.768 8.843 1.00 1.77 C ATOM 1467 CD PRO A 90 -10.597 -0.384 7.397 1.00 1.29 C ATOM 0 HA PRO A 90 -8.209 -2.580 7.605 1.00 1.30 H new ATOM 0 HB2 PRO A 90 -9.684 -2.274 9.962 1.00 1.59 H new ATOM 0 HB3 PRO A 90 -8.651 -0.978 9.392 1.00 1.59 H new ATOM 0 HG2 PRO A 90 -11.621 -1.325 9.033 1.00 1.77 H new ATOM 0 HG3 PRO A 90 -10.729 0.115 9.482 1.00 1.77 H new ATOM 0 HD2 PRO A 90 -11.580 -0.282 6.937 1.00 1.29 H new ATOM 0 HD3 PRO A 90 -10.086 0.571 7.273 1.00 1.29 H new ATOM 1475 N LYS A 91 -10.763 -4.088 6.969 1.00 1.40 N ATOM 1476 CA LYS A 91 -11.455 -5.375 6.980 1.00 1.72 C ATOM 1477 C LYS A 91 -12.057 -5.640 8.368 1.00 2.02 C ATOM 1478 O LYS A 91 -11.891 -6.724 8.927 1.00 2.48 O ATOM 1479 CB LYS A 91 -10.483 -6.484 6.595 1.00 1.95 C ATOM 1480 CG LYS A 91 -11.136 -7.828 6.366 1.00 2.50 C ATOM 1481 CD LYS A 91 -12.084 -7.797 5.183 1.00 2.94 C ATOM 1482 CE LYS A 91 -13.150 -8.867 5.300 1.00 3.58 C ATOM 1483 NZ LYS A 91 -12.585 -10.209 5.640 1.00 4.13 N ATOM 0 H LYS A 91 -10.997 -3.492 6.175 1.00 1.40 H new ATOM 0 HA LYS A 91 -12.267 -5.353 6.253 1.00 1.72 H new ATOM 0 HB2 LYS A 91 -9.955 -6.190 5.688 1.00 1.95 H new ATOM 0 HB3 LYS A 91 -9.735 -6.585 7.381 1.00 1.95 H new ATOM 0 HG2 LYS A 91 -10.367 -8.582 6.197 1.00 2.50 H new ATOM 0 HG3 LYS A 91 -11.682 -8.125 7.262 1.00 2.50 H new ATOM 0 HD2 LYS A 91 -12.556 -6.817 5.119 1.00 2.94 H new ATOM 0 HD3 LYS A 91 -11.522 -7.941 4.260 1.00 2.94 H new ATOM 0 HE2 LYS A 91 -13.869 -8.576 6.065 1.00 3.58 H new ATOM 0 HE3 LYS A 91 -13.696 -8.935 4.359 1.00 3.58 H new ATOM 0 HZ1 LYS A 91 -13.344 -10.919 5.625 1.00 4.13 H new ATOM 0 HZ2 LYS A 91 -11.857 -10.466 4.943 1.00 4.13 H new ATOM 0 HZ3 LYS A 91 -12.160 -10.177 6.589 1.00 4.13 H new ATOM 1497 N ASP A 92 -12.741 -4.608 8.877 1.00 2.34 N ATOM 1498 CA ASP A 92 -13.413 -4.593 10.189 1.00 2.92 C ATOM 1499 C ASP A 92 -13.412 -5.931 10.910 1.00 2.79 C ATOM 1500 O ASP A 92 -14.138 -6.852 10.563 1.00 3.27 O ATOM 1501 CB ASP A 92 -14.831 -4.053 10.042 1.00 3.81 C ATOM 1502 CG ASP A 92 -15.687 -4.804 9.031 1.00 4.45 C ATOM 1503 OD1 ASP A 92 -15.539 -4.548 7.819 1.00 5.11 O ATOM 1504 OD2 ASP A 92 -16.529 -5.633 9.444 1.00 4.67 O ATOM 0 H ASP A 92 -12.847 -3.728 8.372 1.00 2.34 H new ATOM 0 HA ASP A 92 -12.826 -3.929 10.823 1.00 2.92 H new ATOM 0 HB2 ASP A 92 -15.323 -4.088 11.014 1.00 3.81 H new ATOM 0 HB3 ASP A 92 -14.779 -3.004 9.749 1.00 3.81 H new ATOM 1509 N PHE A 93 -12.558 -6.024 11.910 1.00 2.71 N ATOM 1510 CA PHE A 93 -12.412 -7.240 12.685 1.00 2.95 C ATOM 1511 C PHE A 93 -11.582 -6.973 13.943 1.00 3.05 C ATOM 1512 O PHE A 93 -10.443 -6.512 13.845 1.00 3.30 O ATOM 1513 CB PHE A 93 -11.720 -8.311 11.833 1.00 3.27 C ATOM 1514 CG PHE A 93 -11.448 -9.594 12.570 1.00 3.84 C ATOM 1515 CD1 PHE A 93 -12.492 -10.328 13.113 1.00 4.41 C ATOM 1516 CD2 PHE A 93 -10.159 -10.067 12.708 1.00 4.40 C ATOM 1517 CE1 PHE A 93 -12.258 -11.515 13.781 1.00 5.31 C ATOM 1518 CE2 PHE A 93 -9.914 -11.254 13.376 1.00 5.30 C ATOM 1519 CZ PHE A 93 -10.965 -11.979 13.914 1.00 5.69 C ATOM 0 H PHE A 93 -11.948 -5.262 12.207 1.00 2.71 H new ATOM 0 HA PHE A 93 -13.401 -7.589 12.982 1.00 2.95 H new ATOM 0 HB2 PHE A 93 -12.341 -8.527 10.964 1.00 3.27 H new ATOM 0 HB3 PHE A 93 -10.777 -7.911 11.459 1.00 3.27 H new ATOM 0 HD1 PHE A 93 -13.505 -9.966 13.012 1.00 4.41 H new ATOM 0 HD2 PHE A 93 -9.335 -9.507 12.292 1.00 4.40 H new ATOM 0 HE1 PHE A 93 -13.082 -12.076 14.196 1.00 5.31 H new ATOM 0 HE2 PHE A 93 -8.902 -11.616 13.478 1.00 5.30 H new ATOM 0 HZ PHE A 93 -10.773 -12.905 14.436 1.00 5.69 H new ATOM 1529 N GLU A 94 -12.159 -7.269 15.114 1.00 3.44 N ATOM 1530 CA GLU A 94 -11.483 -7.074 16.403 1.00 3.96 C ATOM 1531 C GLU A 94 -11.018 -5.623 16.580 1.00 3.75 C ATOM 1532 O GLU A 94 -11.843 -4.717 16.704 1.00 4.15 O ATOM 1533 CB GLU A 94 -10.301 -8.043 16.543 1.00 4.82 C ATOM 1534 CG GLU A 94 -10.697 -9.514 16.539 1.00 5.73 C ATOM 1535 CD GLU A 94 -11.753 -9.859 17.576 1.00 6.51 C ATOM 1536 OE1 GLU A 94 -12.916 -9.422 17.435 1.00 6.69 O ATOM 1537 OE2 GLU A 94 -11.419 -10.571 18.544 1.00 7.20 O ATOM 0 H GLU A 94 -13.102 -7.648 15.195 1.00 3.44 H new ATOM 0 HA GLU A 94 -12.204 -7.288 17.192 1.00 3.96 H new ATOM 0 HB2 GLU A 94 -9.600 -7.864 15.727 1.00 4.82 H new ATOM 0 HB3 GLU A 94 -9.773 -7.823 17.471 1.00 4.82 H new ATOM 0 HG2 GLU A 94 -11.070 -9.779 15.550 1.00 5.73 H new ATOM 0 HG3 GLU A 94 -9.810 -10.122 16.719 1.00 5.73 H new ATOM 1544 N THR A 95 -9.705 -5.405 16.579 1.00 3.56 N ATOM 1545 CA THR A 95 -9.137 -4.067 16.734 1.00 3.57 C ATOM 1546 C THR A 95 -8.165 -3.760 15.599 1.00 3.11 C ATOM 1547 O THR A 95 -7.219 -2.981 15.762 1.00 3.46 O ATOM 1548 CB THR A 95 -8.430 -3.952 18.091 1.00 4.37 C ATOM 1549 OG1 THR A 95 -7.711 -5.140 18.398 1.00 4.92 O ATOM 1550 CG2 THR A 95 -9.372 -3.686 19.243 1.00 4.79 C ATOM 0 H THR A 95 -9.010 -6.143 16.472 1.00 3.56 H new ATOM 0 HA THR A 95 -9.946 -3.338 16.695 1.00 3.57 H new ATOM 0 HB THR A 95 -7.759 -3.100 17.982 1.00 4.37 H new ATOM 0 HG1 THR A 95 -7.269 -5.039 19.267 1.00 4.92 H new ATOM 0 HG21 THR A 95 -8.803 -3.617 20.170 1.00 4.79 H new ATOM 0 HG22 THR A 95 -9.901 -2.749 19.071 1.00 4.79 H new ATOM 0 HG23 THR A 95 -10.092 -4.500 19.319 1.00 4.79 H new ATOM 1558 N SER A 96 -8.408 -4.362 14.439 1.00 2.83 N ATOM 1559 CA SER A 96 -7.554 -4.141 13.279 1.00 2.92 C ATOM 1560 C SER A 96 -7.857 -2.776 12.649 1.00 2.63 C ATOM 1561 O SER A 96 -7.141 -2.312 11.762 1.00 2.95 O ATOM 1562 CB SER A 96 -7.728 -5.273 12.262 1.00 3.49 C ATOM 1563 OG SER A 96 -6.896 -5.082 11.137 1.00 4.05 O ATOM 0 H SER A 96 -9.185 -5.003 14.278 1.00 2.83 H new ATOM 0 HA SER A 96 -6.513 -4.140 13.602 1.00 2.92 H new ATOM 0 HB2 SER A 96 -7.493 -6.228 12.733 1.00 3.49 H new ATOM 0 HB3 SER A 96 -8.769 -5.322 11.943 1.00 3.49 H new ATOM 0 HG SER A 96 -6.733 -4.124 11.010 1.00 4.05 H new ATOM 1569 N GLU A 97 -8.903 -2.120 13.142 1.00 2.52 N ATOM 1570 CA GLU A 97 -9.274 -0.810 12.659 1.00 2.71 C ATOM 1571 C GLU A 97 -8.234 0.217 13.076 1.00 2.41 C ATOM 1572 O GLU A 97 -7.856 1.087 12.295 1.00 2.64 O ATOM 1573 CB GLU A 97 -10.634 -0.407 13.210 1.00 3.26 C ATOM 1574 CG GLU A 97 -11.271 0.722 12.422 1.00 3.93 C ATOM 1575 CD GLU A 97 -12.513 1.270 13.082 1.00 4.42 C ATOM 1576 OE1 GLU A 97 -13.446 0.488 13.347 1.00 4.75 O ATOM 1577 OE2 GLU A 97 -12.559 2.490 13.339 1.00 4.86 O ATOM 0 H GLU A 97 -9.507 -2.483 13.880 1.00 2.52 H new ATOM 0 HA GLU A 97 -9.327 -0.848 11.571 1.00 2.71 H new ATOM 0 HB2 GLU A 97 -11.297 -1.272 13.199 1.00 3.26 H new ATOM 0 HB3 GLU A 97 -10.525 -0.102 14.251 1.00 3.26 H new ATOM 0 HG2 GLU A 97 -10.546 1.527 12.299 1.00 3.93 H new ATOM 0 HG3 GLU A 97 -11.524 0.364 11.424 1.00 3.93 H new ATOM 1584 N TYR A 98 -7.769 0.102 14.316 1.00 2.15 N ATOM 1585 CA TYR A 98 -6.770 1.023 14.862 1.00 1.95 C ATOM 1586 C TYR A 98 -5.420 0.865 14.170 1.00 1.56 C ATOM 1587 O TYR A 98 -4.578 1.760 14.244 1.00 1.45 O ATOM 1588 CB TYR A 98 -6.617 0.809 16.363 1.00 2.16 C ATOM 1589 CG TYR A 98 -7.697 1.472 17.203 1.00 2.85 C ATOM 1590 CD1 TYR A 98 -9.045 1.137 17.073 1.00 3.28 C ATOM 1591 CD2 TYR A 98 -7.355 2.422 18.159 1.00 3.63 C ATOM 1592 CE1 TYR A 98 -10.006 1.735 17.869 1.00 4.19 C ATOM 1593 CE2 TYR A 98 -8.308 3.024 18.944 1.00 4.46 C ATOM 1594 CZ TYR A 98 -9.637 2.678 18.796 1.00 4.66 C ATOM 1595 OH TYR A 98 -10.601 3.269 19.578 1.00 5.65 O ATOM 0 H TYR A 98 -8.068 -0.624 14.967 1.00 2.15 H new ATOM 0 HA TYR A 98 -7.123 2.038 14.678 1.00 1.95 H new ATOM 0 HB2 TYR A 98 -6.620 -0.262 16.568 1.00 2.16 H new ATOM 0 HB3 TYR A 98 -5.645 1.190 16.675 1.00 2.16 H new ATOM 0 HD1 TYR A 98 -9.343 0.401 16.341 1.00 3.28 H new ATOM 0 HD2 TYR A 98 -6.317 2.692 18.287 1.00 3.63 H new ATOM 0 HE1 TYR A 98 -11.045 1.460 17.761 1.00 4.19 H new ATOM 0 HE2 TYR A 98 -8.019 3.765 19.674 1.00 4.46 H new ATOM 0 HH TYR A 98 -10.180 3.913 20.185 1.00 5.65 H new ATOM 1605 N VAL A 99 -5.249 -0.239 13.439 1.00 1.54 N ATOM 1606 CA VAL A 99 -4.030 -0.459 12.664 1.00 1.34 C ATOM 1607 C VAL A 99 -4.132 0.381 11.414 1.00 1.17 C ATOM 1608 O VAL A 99 -3.230 1.134 11.061 1.00 1.04 O ATOM 1609 CB VAL A 99 -3.834 -1.934 12.262 1.00 1.65 C ATOM 1610 CG1 VAL A 99 -2.520 -2.096 11.514 1.00 1.76 C ATOM 1611 CG2 VAL A 99 -3.884 -2.822 13.482 1.00 1.91 C ATOM 0 H VAL A 99 -5.936 -0.990 13.369 1.00 1.54 H new ATOM 0 HA VAL A 99 -3.175 -0.183 13.281 1.00 1.34 H new ATOM 0 HB VAL A 99 -4.644 -2.236 11.598 1.00 1.65 H new ATOM 0 HG11 VAL A 99 -2.388 -3.141 11.233 1.00 1.76 H new ATOM 0 HG12 VAL A 99 -2.534 -1.478 10.616 1.00 1.76 H new ATOM 0 HG13 VAL A 99 -1.695 -1.786 12.156 1.00 1.76 H new ATOM 0 HG21 VAL A 99 -3.744 -3.861 13.182 1.00 1.91 H new ATOM 0 HG22 VAL A 99 -3.093 -2.534 14.174 1.00 1.91 H new ATOM 0 HG23 VAL A 99 -4.852 -2.713 13.972 1.00 1.91 H new ATOM 1621 N ARG A 100 -5.283 0.253 10.765 1.00 1.36 N ATOM 1622 CA ARG A 100 -5.575 0.993 9.548 1.00 1.42 C ATOM 1623 C ARG A 100 -5.757 2.483 9.823 1.00 1.31 C ATOM 1624 O ARG A 100 -5.542 3.318 8.937 1.00 1.31 O ATOM 1625 CB ARG A 100 -6.817 0.424 8.883 1.00 1.78 C ATOM 1626 CG ARG A 100 -6.502 -0.554 7.752 1.00 2.37 C ATOM 1627 CD ARG A 100 -6.727 0.086 6.399 1.00 3.01 C ATOM 1628 NE ARG A 100 -5.923 1.291 6.239 1.00 3.48 N ATOM 1629 CZ ARG A 100 -6.170 2.211 5.319 1.00 4.17 C ATOM 1630 NH1 ARG A 100 -7.397 2.288 4.801 1.00 4.49 N ATOM 1631 NH2 ARG A 100 -5.355 3.255 5.216 1.00 4.93 N ATOM 0 H ARG A 100 -6.036 -0.365 11.068 1.00 1.36 H new ATOM 0 HA ARG A 100 -4.723 0.885 8.877 1.00 1.42 H new ATOM 0 HB2 ARG A 100 -7.423 -0.083 9.634 1.00 1.78 H new ATOM 0 HB3 ARG A 100 -7.418 1.244 8.489 1.00 1.78 H new ATOM 0 HG2 ARG A 100 -5.467 -0.887 7.833 1.00 2.37 H new ATOM 0 HG3 ARG A 100 -7.130 -1.440 7.848 1.00 2.37 H new ATOM 0 HD2 ARG A 100 -6.478 -0.626 5.612 1.00 3.01 H new ATOM 0 HD3 ARG A 100 -7.782 0.333 6.283 1.00 3.01 H new ATOM 0 HE ARG A 100 -5.131 1.433 6.866 1.00 3.48 H new ATOM 0 HH11 ARG A 100 -8.124 1.645 5.115 1.00 4.49 H new ATOM 0 HH12 ARG A 100 -7.608 2.990 4.091 1.00 4.49 H new ATOM 0 HH21 ARG A 100 -4.553 3.339 5.840 1.00 4.93 H new ATOM 0 HH22 ARG A 100 -5.531 3.972 4.513 1.00 4.93 H new ATOM 1645 N LYS A 101 -6.131 2.798 11.059 1.00 1.34 N ATOM 1646 CA LYS A 101 -6.330 4.172 11.491 1.00 1.43 C ATOM 1647 C LYS A 101 -4.989 4.880 11.443 1.00 1.27 C ATOM 1648 O LYS A 101 -4.913 6.067 11.144 1.00 1.40 O ATOM 1649 CB LYS A 101 -6.919 4.193 12.896 1.00 1.68 C ATOM 1650 CG LYS A 101 -7.765 5.408 13.209 1.00 2.35 C ATOM 1651 CD LYS A 101 -8.673 5.146 14.402 1.00 2.61 C ATOM 1652 CE LYS A 101 -9.627 3.993 14.154 1.00 2.79 C ATOM 1653 NZ LYS A 101 -10.523 4.230 12.976 1.00 3.24 N ATOM 0 H LYS A 101 -6.304 2.106 11.788 1.00 1.34 H new ATOM 0 HA LYS A 101 -7.032 4.686 10.834 1.00 1.43 H new ATOM 0 HB2 LYS A 101 -7.527 3.299 13.034 1.00 1.68 H new ATOM 0 HB3 LYS A 101 -6.104 4.139 13.618 1.00 1.68 H new ATOM 0 HG2 LYS A 101 -7.120 6.261 13.419 1.00 2.35 H new ATOM 0 HG3 LYS A 101 -8.367 5.670 12.339 1.00 2.35 H new ATOM 0 HD2 LYS A 101 -8.064 4.929 15.279 1.00 2.61 H new ATOM 0 HD3 LYS A 101 -9.245 6.047 14.626 1.00 2.61 H new ATOM 0 HE2 LYS A 101 -9.054 3.080 13.992 1.00 2.79 H new ATOM 0 HE3 LYS A 101 -10.237 3.833 15.043 1.00 2.79 H new ATOM 0 HZ1 LYS A 101 -11.402 3.686 13.093 1.00 3.24 H new ATOM 0 HZ2 LYS A 101 -10.749 5.243 12.910 1.00 3.24 H new ATOM 0 HZ3 LYS A 101 -10.041 3.926 12.106 1.00 3.24 H new ATOM 1667 N ALA A 102 -3.922 4.108 11.658 1.00 1.11 N ATOM 1668 CA ALA A 102 -2.588 4.648 11.543 1.00 1.11 C ATOM 1669 C ALA A 102 -2.381 4.892 10.072 1.00 0.99 C ATOM 1670 O ALA A 102 -2.125 6.012 9.656 1.00 1.28 O ATOM 1671 CB ALA A 102 -1.528 3.699 12.079 1.00 1.22 C ATOM 0 H ALA A 102 -3.965 3.120 11.909 1.00 1.11 H new ATOM 0 HA ALA A 102 -2.491 5.558 12.136 1.00 1.11 H new ATOM 0 HB1 ALA A 102 -0.543 4.153 11.969 1.00 1.22 H new ATOM 0 HB2 ALA A 102 -1.719 3.498 13.133 1.00 1.22 H new ATOM 0 HB3 ALA A 102 -1.561 2.764 11.520 1.00 1.22 H new ATOM 1677 N TRP A 103 -2.484 3.796 9.303 1.00 0.97 N ATOM 1678 CA TRP A 103 -2.326 3.808 7.840 1.00 1.01 C ATOM 1679 C TRP A 103 -2.982 5.044 7.194 1.00 0.93 C ATOM 1680 O TRP A 103 -2.512 5.530 6.178 1.00 1.00 O ATOM 1681 CB TRP A 103 -2.915 2.537 7.200 1.00 1.40 C ATOM 1682 CG TRP A 103 -2.009 1.331 7.254 1.00 0.71 C ATOM 1683 CD1 TRP A 103 -1.798 0.464 8.299 1.00 0.69 C ATOM 1684 CD2 TRP A 103 -1.156 0.878 6.193 1.00 0.61 C ATOM 1685 NE1 TRP A 103 -0.869 -0.476 7.946 1.00 1.16 N ATOM 1686 CE2 TRP A 103 -0.471 -0.256 6.655 1.00 0.92 C ATOM 1687 CE3 TRP A 103 -0.908 1.315 4.893 1.00 0.89 C ATOM 1688 CZ2 TRP A 103 0.446 -0.950 5.866 1.00 1.30 C ATOM 1689 CZ3 TRP A 103 0.005 0.624 4.117 1.00 0.73 C ATOM 1690 CH2 TRP A 103 0.669 -0.498 4.601 1.00 0.98 C ATOM 0 H TRP A 103 -2.681 2.870 9.682 1.00 0.97 H new ATOM 0 HA TRP A 103 -1.253 3.845 7.653 1.00 1.01 H new ATOM 0 HB2 TRP A 103 -3.852 2.294 7.701 1.00 1.40 H new ATOM 0 HB3 TRP A 103 -3.156 2.748 6.158 1.00 1.40 H new ATOM 0 HD1 TRP A 103 -2.293 0.517 9.258 1.00 0.69 H new ATOM 0 HE1 TRP A 103 -0.527 -1.223 8.550 1.00 1.16 H new ATOM 0 HE3 TRP A 103 -1.421 2.180 4.498 1.00 0.89 H new ATOM 0 HZ2 TRP A 103 0.963 -1.819 6.246 1.00 1.30 H new ATOM 0 HZ3 TRP A 103 0.207 0.964 3.112 1.00 0.73 H new ATOM 0 HH2 TRP A 103 1.371 -1.018 3.965 1.00 0.98 H new ATOM 1701 N LEU A 104 -4.046 5.562 7.803 1.00 0.95 N ATOM 1702 CA LEU A 104 -4.727 6.763 7.287 1.00 1.12 C ATOM 1703 C LEU A 104 -3.779 7.951 7.375 1.00 1.10 C ATOM 1704 O LEU A 104 -3.559 8.669 6.413 1.00 1.40 O ATOM 1705 CB LEU A 104 -5.990 7.065 8.105 1.00 1.35 C ATOM 1706 CG LEU A 104 -7.335 6.743 7.427 1.00 1.47 C ATOM 1707 CD1 LEU A 104 -7.694 7.819 6.420 1.00 2.27 C ATOM 1708 CD2 LEU A 104 -7.282 5.380 6.781 1.00 1.69 C ATOM 0 H LEU A 104 -4.460 5.176 8.652 1.00 0.95 H new ATOM 0 HA LEU A 104 -5.015 6.584 6.251 1.00 1.12 H new ATOM 0 HB2 LEU A 104 -5.935 6.505 9.039 1.00 1.35 H new ATOM 0 HB3 LEU A 104 -5.983 8.123 8.367 1.00 1.35 H new ATOM 0 HG LEU A 104 -8.117 6.725 8.186 1.00 1.47 H new ATOM 0 HD11 LEU A 104 -8.647 7.575 5.951 1.00 2.27 H new ATOM 0 HD12 LEU A 104 -7.775 8.780 6.928 1.00 2.27 H new ATOM 0 HD13 LEU A 104 -6.918 7.876 5.657 1.00 2.27 H new ATOM 0 HD21 LEU A 104 -8.239 5.165 6.306 1.00 1.69 H new ATOM 0 HD22 LEU A 104 -6.492 5.364 6.030 1.00 1.69 H new ATOM 0 HD23 LEU A 104 -7.077 4.625 7.540 1.00 1.69 H new ATOM 1720 N ARG A 105 -3.199 8.109 8.548 1.00 1.01 N ATOM 1721 CA ARG A 105 -2.235 9.172 8.805 1.00 1.18 C ATOM 1722 C ARG A 105 -0.944 8.897 8.018 1.00 1.08 C ATOM 1723 O ARG A 105 -0.377 9.794 7.401 1.00 1.21 O ATOM 1724 CB ARG A 105 -1.960 9.268 10.304 1.00 1.38 C ATOM 1725 CG ARG A 105 -0.910 10.295 10.688 1.00 2.01 C ATOM 1726 CD ARG A 105 -0.747 10.377 12.200 1.00 2.29 C ATOM 1727 NE ARG A 105 0.254 11.376 12.593 1.00 2.86 N ATOM 1728 CZ ARG A 105 0.096 12.689 12.423 1.00 3.68 C ATOM 1729 NH1 ARG A 105 -1.065 13.177 11.993 1.00 4.09 N ATOM 1730 NH2 ARG A 105 1.056 13.522 12.795 1.00 4.52 N ATOM 0 H ARG A 105 -3.379 7.508 9.352 1.00 1.01 H new ATOM 0 HA ARG A 105 -2.641 10.128 8.473 1.00 1.18 H new ATOM 0 HB2 ARG A 105 -2.891 9.510 10.816 1.00 1.38 H new ATOM 0 HB3 ARG A 105 -1.642 8.290 10.665 1.00 1.38 H new ATOM 0 HG2 ARG A 105 0.044 10.032 10.230 1.00 2.01 H new ATOM 0 HG3 ARG A 105 -1.193 11.272 10.297 1.00 2.01 H new ATOM 0 HD2 ARG A 105 -1.706 10.626 12.655 1.00 2.29 H new ATOM 0 HD3 ARG A 105 -0.455 9.400 12.586 1.00 2.29 H new ATOM 0 HE ARG A 105 1.120 11.047 13.020 1.00 2.86 H new ATOM 0 HH11 ARG A 105 -1.840 12.546 11.791 1.00 4.09 H new ATOM 0 HH12 ARG A 105 -1.180 14.182 11.865 1.00 4.09 H new ATOM 0 HH21 ARG A 105 1.914 13.159 13.210 1.00 4.52 H new ATOM 0 HH22 ARG A 105 0.938 14.527 12.666 1.00 4.52 H new ATOM 1744 N ASP A 106 -0.505 7.641 8.033 1.00 0.95 N ATOM 1745 CA ASP A 106 0.702 7.222 7.322 1.00 0.99 C ATOM 1746 C ASP A 106 0.550 7.407 5.810 1.00 0.96 C ATOM 1747 O ASP A 106 1.547 7.586 5.113 1.00 1.17 O ATOM 1748 CB ASP A 106 1.030 5.756 7.643 1.00 1.09 C ATOM 1749 CG ASP A 106 1.485 5.543 9.071 1.00 1.46 C ATOM 1750 OD1 ASP A 106 1.899 6.519 9.727 1.00 1.76 O ATOM 1751 OD2 ASP A 106 1.468 4.378 9.525 1.00 2.18 O ATOM 0 H ASP A 106 -0.973 6.887 8.536 1.00 0.95 H new ATOM 0 HA ASP A 106 1.524 7.854 7.660 1.00 0.99 H new ATOM 0 HB2 ASP A 106 0.148 5.144 7.455 1.00 1.09 H new ATOM 0 HB3 ASP A 106 1.809 5.408 6.965 1.00 1.09 H new ATOM 1756 N ILE A 107 -0.688 7.369 5.305 1.00 0.92 N ATOM 1757 CA ILE A 107 -0.940 7.543 3.873 1.00 1.04 C ATOM 1758 C ILE A 107 -1.260 9.017 3.572 1.00 1.23 C ATOM 1759 O ILE A 107 -1.030 9.504 2.467 1.00 1.43 O ATOM 1760 CB ILE A 107 -2.091 6.617 3.378 1.00 1.06 C ATOM 1761 CG1 ILE A 107 -1.873 6.221 1.907 1.00 1.18 C ATOM 1762 CG2 ILE A 107 -3.444 7.272 3.551 1.00 1.23 C ATOM 1763 CD1 ILE A 107 -0.667 5.329 1.690 1.00 1.45 C ATOM 0 H ILE A 107 -1.527 7.220 5.865 1.00 0.92 H new ATOM 0 HA ILE A 107 -0.038 7.257 3.332 1.00 1.04 H new ATOM 0 HB ILE A 107 -2.075 5.716 3.991 1.00 1.06 H new ATOM 0 HG12 ILE A 107 -2.763 5.709 1.542 1.00 1.18 H new ATOM 0 HG13 ILE A 107 -1.758 7.125 1.309 1.00 1.18 H new ATOM 0 HG21 ILE A 107 -4.223 6.598 3.195 1.00 1.23 H new ATOM 0 HG22 ILE A 107 -3.609 7.493 4.606 1.00 1.23 H new ATOM 0 HG23 ILE A 107 -3.476 8.198 2.977 1.00 1.23 H new ATOM 0 HD11 ILE A 107 -0.577 5.091 0.630 1.00 1.45 H new ATOM 0 HD12 ILE A 107 0.233 5.846 2.024 1.00 1.45 H new ATOM 0 HD13 ILE A 107 -0.789 4.408 2.260 1.00 1.45 H new ATOM 1775 N ALA A 108 -1.780 9.726 4.582 1.00 1.25 N ATOM 1776 CA ALA A 108 -2.118 11.139 4.447 1.00 1.52 C ATOM 1777 C ALA A 108 -0.841 11.962 4.354 1.00 1.59 C ATOM 1778 O ALA A 108 -0.848 13.133 3.962 1.00 1.92 O ATOM 1779 CB ALA A 108 -2.964 11.591 5.626 1.00 1.62 C ATOM 0 H ALA A 108 -1.975 9.337 5.504 1.00 1.25 H new ATOM 0 HA ALA A 108 -2.698 11.286 3.536 1.00 1.52 H new ATOM 0 HB1 ALA A 108 -3.210 12.647 5.514 1.00 1.62 H new ATOM 0 HB2 ALA A 108 -3.883 11.006 5.660 1.00 1.62 H new ATOM 0 HB3 ALA A 108 -2.407 11.445 6.551 1.00 1.62 H new ATOM 1785 N GLU A 109 0.253 11.316 4.721 1.00 1.39 N ATOM 1786 CA GLU A 109 1.567 11.931 4.702 1.00 1.50 C ATOM 1787 C GLU A 109 2.640 10.855 4.671 1.00 1.43 C ATOM 1788 O GLU A 109 3.358 10.639 5.650 1.00 1.70 O ATOM 1789 CB GLU A 109 1.775 12.853 5.913 1.00 1.69 C ATOM 1790 CG GLU A 109 1.292 12.281 7.231 1.00 1.73 C ATOM 1791 CD GLU A 109 1.581 13.199 8.394 1.00 2.07 C ATOM 1792 OE1 GLU A 109 1.023 14.310 8.420 1.00 2.40 O ATOM 1793 OE2 GLU A 109 2.364 12.822 9.288 1.00 2.56 O ATOM 0 H GLU A 109 0.254 10.348 5.041 1.00 1.39 H new ATOM 0 HA GLU A 109 1.641 12.543 3.803 1.00 1.50 H new ATOM 0 HB2 GLU A 109 2.837 13.084 5.999 1.00 1.69 H new ATOM 0 HB3 GLU A 109 1.258 13.795 5.729 1.00 1.69 H new ATOM 0 HG2 GLU A 109 0.219 12.098 7.174 1.00 1.73 H new ATOM 0 HG3 GLU A 109 1.771 11.317 7.404 1.00 1.73 H new ATOM 1800 N GLU A 110 2.741 10.186 3.526 1.00 1.49 N ATOM 1801 CA GLU A 110 3.726 9.138 3.326 1.00 1.63 C ATOM 1802 C GLU A 110 5.117 9.753 3.333 1.00 1.78 C ATOM 1803 O GLU A 110 5.365 10.725 2.615 1.00 2.20 O ATOM 1804 CB GLU A 110 3.478 8.396 2.009 1.00 2.09 C ATOM 1805 CG GLU A 110 2.050 8.504 1.465 1.00 2.83 C ATOM 1806 CD GLU A 110 1.807 9.783 0.664 1.00 3.38 C ATOM 1807 OE1 GLU A 110 2.662 10.684 0.712 1.00 3.86 O ATOM 1808 OE2 GLU A 110 0.755 9.896 -0.010 1.00 3.86 O ATOM 0 H GLU A 110 2.144 10.357 2.717 1.00 1.49 H new ATOM 0 HA GLU A 110 3.642 8.413 4.136 1.00 1.63 H new ATOM 0 HB2 GLU A 110 4.167 8.780 1.257 1.00 2.09 H new ATOM 0 HB3 GLU A 110 3.718 7.342 2.152 1.00 2.09 H new ATOM 0 HG2 GLU A 110 1.843 7.641 0.832 1.00 2.83 H new ATOM 0 HG3 GLU A 110 1.347 8.465 2.297 1.00 2.83 H new ATOM 1815 N GLN A 111 5.993 9.192 4.182 1.00 1.93 N ATOM 1816 CA GLN A 111 7.374 9.667 4.382 1.00 2.44 C ATOM 1817 C GLN A 111 7.430 11.192 4.350 1.00 2.84 C ATOM 1818 O GLN A 111 8.190 11.801 3.598 1.00 3.22 O ATOM 1819 CB GLN A 111 8.364 9.029 3.380 1.00 2.97 C ATOM 1820 CG GLN A 111 8.190 9.417 1.917 1.00 3.66 C ATOM 1821 CD GLN A 111 7.395 8.397 1.119 1.00 4.54 C ATOM 1822 OE1 GLN A 111 7.782 7.233 1.009 1.00 5.12 O ATOM 1823 NE2 GLN A 111 6.294 8.839 0.532 1.00 5.02 N ATOM 0 H GLN A 111 5.759 8.383 4.758 1.00 1.93 H new ATOM 0 HA GLN A 111 7.694 9.342 5.372 1.00 2.44 H new ATOM 0 HB2 GLN A 111 9.377 9.292 3.685 1.00 2.97 H new ATOM 0 HB3 GLN A 111 8.279 7.945 3.459 1.00 2.97 H new ATOM 0 HG2 GLN A 111 7.689 10.383 1.861 1.00 3.66 H new ATOM 0 HG3 GLN A 111 9.172 9.540 1.461 1.00 3.66 H new ATOM 0 HE21 GLN A 111 6.009 9.811 0.649 1.00 5.02 H new ATOM 0 HE22 GLN A 111 5.731 8.207 -0.037 1.00 5.02 H new ATOM 1832 N GLU A 112 6.580 11.793 5.189 1.00 3.29 N ATOM 1833 CA GLU A 112 6.442 13.247 5.296 1.00 4.12 C ATOM 1834 C GLU A 112 7.767 13.956 5.601 1.00 4.19 C ATOM 1835 O GLU A 112 7.893 15.164 5.397 1.00 4.69 O ATOM 1836 CB GLU A 112 5.358 13.599 6.329 1.00 5.03 C ATOM 1837 CG GLU A 112 5.640 13.104 7.739 1.00 5.36 C ATOM 1838 CD GLU A 112 6.380 14.121 8.574 1.00 6.31 C ATOM 1839 OE1 GLU A 112 5.850 15.233 8.780 1.00 6.81 O ATOM 1840 OE2 GLU A 112 7.493 13.823 9.032 1.00 6.83 O ATOM 0 H GLU A 112 5.964 11.278 5.818 1.00 3.29 H new ATOM 0 HA GLU A 112 6.131 13.617 4.319 1.00 4.12 H new ATOM 0 HB2 GLU A 112 5.239 14.682 6.356 1.00 5.03 H new ATOM 0 HB3 GLU A 112 4.408 13.182 5.995 1.00 5.03 H new ATOM 0 HG2 GLU A 112 4.698 12.854 8.228 1.00 5.36 H new ATOM 0 HG3 GLU A 112 6.226 12.186 7.688 1.00 5.36 H new ATOM 1847 N LYS A 113 8.763 13.202 6.038 1.00 3.97 N ATOM 1848 CA LYS A 113 10.080 13.767 6.304 1.00 4.36 C ATOM 1849 C LYS A 113 10.700 14.158 4.977 1.00 4.15 C ATOM 1850 O LYS A 113 11.188 15.271 4.799 1.00 4.65 O ATOM 1851 CB LYS A 113 10.995 12.749 7.003 1.00 4.79 C ATOM 1852 CG LYS A 113 10.572 12.396 8.424 1.00 5.55 C ATOM 1853 CD LYS A 113 9.468 11.363 8.444 1.00 5.63 C ATOM 1854 CE LYS A 113 9.111 10.964 9.868 1.00 6.48 C ATOM 1855 NZ LYS A 113 8.597 12.122 10.655 1.00 7.06 N ATOM 0 H LYS A 113 8.687 12.201 6.216 1.00 3.97 H new ATOM 0 HA LYS A 113 9.970 14.630 6.961 1.00 4.36 H new ATOM 0 HB2 LYS A 113 11.024 11.836 6.408 1.00 4.79 H new ATOM 0 HB3 LYS A 113 12.010 13.147 7.027 1.00 4.79 H new ATOM 0 HG2 LYS A 113 11.433 12.018 8.976 1.00 5.55 H new ATOM 0 HG3 LYS A 113 10.235 13.297 8.937 1.00 5.55 H new ATOM 0 HD2 LYS A 113 8.585 11.761 7.943 1.00 5.63 H new ATOM 0 HD3 LYS A 113 9.781 10.482 7.885 1.00 5.63 H new ATOM 0 HE2 LYS A 113 8.358 10.176 9.847 1.00 6.48 H new ATOM 0 HE3 LYS A 113 9.991 10.551 10.361 1.00 6.48 H new ATOM 0 HZ1 LYS A 113 7.705 11.857 11.120 1.00 7.06 H new ATOM 0 HZ2 LYS A 113 9.297 12.390 11.376 1.00 7.06 H new ATOM 0 HZ3 LYS A 113 8.430 12.927 10.019 1.00 7.06 H new ATOM 1869 N TYR A 114 10.654 13.224 4.038 1.00 3.80 N ATOM 1870 CA TYR A 114 11.190 13.435 2.704 1.00 4.21 C ATOM 1871 C TYR A 114 10.370 14.471 1.937 1.00 4.57 C ATOM 1872 O TYR A 114 10.911 15.263 1.163 1.00 5.17 O ATOM 1873 CB TYR A 114 11.217 12.121 1.928 1.00 4.58 C ATOM 1874 CG TYR A 114 12.138 11.063 2.504 1.00 5.45 C ATOM 1875 CD1 TYR A 114 11.806 10.351 3.658 1.00 5.90 C ATOM 1876 CD2 TYR A 114 13.345 10.773 1.881 1.00 6.18 C ATOM 1877 CE1 TYR A 114 12.651 9.381 4.169 1.00 6.94 C ATOM 1878 CE2 TYR A 114 14.193 9.804 2.386 1.00 7.17 C ATOM 1879 CZ TYR A 114 13.846 9.107 3.525 1.00 7.49 C ATOM 1880 OH TYR A 114 14.695 8.129 4.026 1.00 8.62 O ATOM 0 H TYR A 114 10.245 12.301 4.180 1.00 3.80 H new ATOM 0 HA TYR A 114 12.208 13.811 2.810 1.00 4.21 H new ATOM 0 HB2 TYR A 114 10.205 11.719 1.887 1.00 4.58 H new ATOM 0 HB3 TYR A 114 11.520 12.327 0.902 1.00 4.58 H new ATOM 0 HD1 TYR A 114 10.874 10.561 4.161 1.00 5.90 H new ATOM 0 HD2 TYR A 114 13.626 11.312 0.988 1.00 6.18 H new ATOM 0 HE1 TYR A 114 12.380 8.841 5.064 1.00 6.94 H new ATOM 0 HE2 TYR A 114 15.128 9.593 1.888 1.00 7.17 H new ATOM 0 HH TYR A 114 15.489 8.062 3.456 1.00 8.62 H new ATOM 1890 N ALA A 115 9.053 14.440 2.137 1.00 4.51 N ATOM 1891 CA ALA A 115 8.135 15.353 1.448 1.00 5.16 C ATOM 1892 C ALA A 115 8.187 16.788 2.001 1.00 5.46 C ATOM 1893 O ALA A 115 7.611 17.705 1.409 1.00 5.73 O ATOM 1894 CB ALA A 115 6.716 14.821 1.534 1.00 5.63 C ATOM 0 H ALA A 115 8.594 13.789 2.774 1.00 4.51 H new ATOM 0 HA ALA A 115 8.458 15.400 0.408 1.00 5.16 H new ATOM 0 HB1 ALA A 115 6.040 15.504 1.020 1.00 5.63 H new ATOM 0 HB2 ALA A 115 6.666 13.839 1.064 1.00 5.63 H new ATOM 0 HB3 ALA A 115 6.422 14.737 2.580 1.00 5.63 H new ATOM 1900 N ALA A 116 8.873 16.964 3.128 1.00 5.86 N ATOM 1901 CA ALA A 116 9.007 18.272 3.780 1.00 6.58 C ATOM 1902 C ALA A 116 7.648 18.801 4.275 1.00 7.22 C ATOM 1903 O ALA A 116 7.194 19.856 3.836 1.00 7.70 O ATOM 1904 CB ALA A 116 9.668 19.275 2.834 1.00 7.03 C ATOM 0 H ALA A 116 9.352 16.208 3.617 1.00 5.86 H new ATOM 0 HA ALA A 116 9.645 18.144 4.654 1.00 6.58 H new ATOM 0 HB1 ALA A 116 9.760 20.240 3.333 1.00 7.03 H new ATOM 0 HB2 ALA A 116 10.658 18.915 2.556 1.00 7.03 H new ATOM 0 HB3 ALA A 116 9.058 19.387 1.938 1.00 7.03 H new ATOM 1910 N GLU A 117 7.017 18.046 5.191 1.00 7.53 N ATOM 1911 CA GLU A 117 5.711 18.378 5.791 1.00 8.41 C ATOM 1912 C GLU A 117 4.697 18.938 4.788 1.00 9.09 C ATOM 1913 O GLU A 117 3.970 19.884 5.092 1.00 9.58 O ATOM 1914 CB GLU A 117 5.861 19.332 7.002 1.00 8.83 C ATOM 1915 CG GLU A 117 6.411 20.714 6.665 1.00 9.18 C ATOM 1916 CD GLU A 117 6.609 21.597 7.880 1.00 9.82 C ATOM 1917 OE1 GLU A 117 5.600 22.006 8.487 1.00 10.40 O ATOM 1918 OE2 GLU A 117 7.772 21.897 8.226 1.00 9.94 O ATOM 0 H GLU A 117 7.407 17.171 5.542 1.00 7.53 H new ATOM 0 HA GLU A 117 5.308 17.428 6.142 1.00 8.41 H new ATOM 0 HB2 GLU A 117 4.887 19.450 7.476 1.00 8.83 H new ATOM 0 HB3 GLU A 117 6.518 18.864 7.736 1.00 8.83 H new ATOM 0 HG2 GLU A 117 7.364 20.601 6.148 1.00 9.18 H new ATOM 0 HG3 GLU A 117 5.730 21.209 5.973 1.00 9.18 H new ATOM 1925 N ARG A 118 4.613 18.329 3.618 1.00 9.35 N ATOM 1926 CA ARG A 118 3.662 18.750 2.605 1.00 10.23 C ATOM 1927 C ARG A 118 3.430 17.609 1.635 1.00 10.76 C ATOM 1928 O ARG A 118 4.239 16.688 1.539 1.00 11.00 O ATOM 1929 CB ARG A 118 4.169 19.982 1.846 1.00 10.61 C ATOM 1930 CG ARG A 118 3.082 20.750 1.105 1.00 11.18 C ATOM 1931 CD ARG A 118 3.666 21.910 0.328 1.00 11.87 C ATOM 1932 NE ARG A 118 4.340 22.872 1.207 1.00 12.16 N ATOM 1933 CZ ARG A 118 4.953 23.981 0.778 1.00 12.66 C ATOM 1934 NH1 ARG A 118 4.725 24.425 -0.453 1.00 12.91 N ATOM 1935 NH2 ARG A 118 5.576 24.767 1.650 1.00 13.09 N ATOM 0 H ARG A 118 5.195 17.537 3.345 1.00 9.35 H new ATOM 0 HA ARG A 118 2.727 19.019 3.096 1.00 10.23 H new ATOM 0 HB2 ARG A 118 4.656 20.655 2.552 1.00 10.61 H new ATOM 0 HB3 ARG A 118 4.928 19.667 1.130 1.00 10.61 H new ATOM 0 HG2 ARG A 118 2.559 20.079 0.424 1.00 11.18 H new ATOM 0 HG3 ARG A 118 2.344 21.120 1.817 1.00 11.18 H new ATOM 0 HD2 ARG A 118 4.375 21.533 -0.409 1.00 11.87 H new ATOM 0 HD3 ARG A 118 2.872 22.415 -0.222 1.00 11.87 H new ATOM 0 HE ARG A 118 4.341 22.683 2.209 1.00 12.16 H new ATOM 0 HH11 ARG A 118 4.085 23.921 -1.067 1.00 12.91 H new ATOM 0 HH12 ARG A 118 5.190 25.270 -0.785 1.00 12.91 H new ATOM 0 HH21 ARG A 118 5.585 24.523 2.640 1.00 13.09 H new ATOM 0 HH22 ARG A 118 6.045 25.614 1.329 1.00 13.09 H new ATOM 1949 N ASP A 119 2.337 17.680 0.922 1.00 11.16 N ATOM 1950 CA ASP A 119 1.990 16.661 -0.044 1.00 11.89 C ATOM 1951 C ASP A 119 1.947 17.260 -1.444 1.00 12.21 C ATOM 1952 O ASP A 119 1.180 18.220 -1.656 1.00 0.00 O ATOM 1953 CB ASP A 119 0.638 16.054 0.309 1.00 12.51 C ATOM 1954 CG ASP A 119 0.210 15.028 -0.720 1.00 13.33 C ATOM 1955 OD1 ASP A 119 0.906 13.998 -0.871 1.00 13.70 O ATOM 1956 OD2 ASP A 119 -0.808 15.261 -1.395 1.00 13.75 O ATOM 1957 OXT ASP A 119 2.702 16.796 -2.322 1.00 0.00 O ATOM 0 H ASP A 119 1.662 18.441 0.991 1.00 11.16 H new ATOM 0 HA ASP A 119 2.747 15.877 -0.022 1.00 11.89 H new ATOM 0 HB2 ASP A 119 0.693 15.586 1.292 1.00 12.51 H new ATOM 0 HB3 ASP A 119 -0.112 16.843 0.373 1.00 12.51 H new TER 1962 ASP A 119