USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=26 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 63 ASN : amide:sc= -0.392 X(o=-0.67,f=-0.4) USER MOD Set 1.2: A 77 GLN : amide:sc= -0.274 X(o=-0.67,f=-0.4) USER MOD Set 2.1: A 68 THR OG1 : rot 131:sc= 0.882 USER MOD Set 2.2: A 73 THR OG1 : rot -170:sc= 0.716 USER MOD Set 3.1: A 62 TYR OH : rot 180:sc= 0.316 USER MOD Set 3.2: A 111 GLN : amide:sc= -1.37! C(o=-1.1!,f=-2.2!) USER MOD Set 4.1: A 38 MET CE :methyl 161:sc= -0.102 (180deg=-0.616) USER MOD Set 4.2: A 56 SER OG : rot 71:sc= 0.105 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -112:sc= 0.06 (180deg=0) 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= -2.43! K(o=-2.4!,f=-3) USER MOD Single : A 17 GLN : amide:sc= -1.21 K(o=-1.2,f=-6.5!) USER MOD Single : A 26 LYS NZ :NH3+ -117:sc= 2.32 (180deg=-0.759) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.757 USER MOD Single : A 42 GLN : amide:sc= -0.0195 X(o=-0.02,f=-0.18) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 10:sc= 1.05 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : 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) USER MOD Single : A 54 TYR OH : rot -86:sc= 0.00415 USER MOD Single : A 55 SER OG : rot 124:sc= 1.19 USER MOD Single : A 61 LYS NZ :NH3+ -106:sc= 2.42 (180deg=0.0903) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 HIS : no HD1:sc= -3.3! K(o=-3.3!,f=-0.66) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.783 X(o=-0.78,f=-0.42) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -151:sc= 0.909 (180deg=0.288) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -5:sc= 0.504 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 TYR OH : rot 25:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.449 -13.506 9.730 1.00 16.25 N ATOM 2 CA MET A 1 6.088 -13.118 8.460 1.00 15.99 C ATOM 3 C MET A 1 7.066 -11.959 8.665 1.00 15.41 C ATOM 4 O MET A 1 6.937 -11.187 9.620 1.00 15.45 O ATOM 5 CB MET A 1 5.002 -12.713 7.460 1.00 16.51 C ATOM 6 CG MET A 1 4.163 -13.872 6.955 1.00 16.79 C ATOM 7 SD MET A 1 3.108 -13.401 5.580 1.00 17.24 S ATOM 8 CE MET A 1 2.419 -14.992 5.131 1.00 17.83 C ATOM 0 H1 MET A 1 5.779 -14.452 10.010 1.00 16.25 H new ATOM 0 H2 MET A 1 5.700 -12.819 10.469 1.00 16.25 H new ATOM 0 H3 MET A 1 4.416 -13.522 9.608 1.00 16.25 H new ATOM 0 HA MET A 1 6.653 -13.968 8.076 1.00 15.99 H new ATOM 0 HB2 MET A 1 4.346 -11.980 7.930 1.00 16.51 H new ATOM 0 HB3 MET A 1 5.472 -12.220 6.609 1.00 16.51 H new ATOM 0 HG2 MET A 1 4.820 -14.685 6.645 1.00 16.79 H new ATOM 0 HG3 MET A 1 3.547 -14.253 7.769 1.00 16.79 H new ATOM 0 HE1 MET A 1 1.739 -14.869 4.288 1.00 17.83 H new ATOM 0 HE2 MET A 1 3.224 -15.672 4.852 1.00 17.83 H new ATOM 0 HE3 MET A 1 1.874 -15.405 5.980 1.00 17.83 H new ATOM 20 N GLY A 2 8.037 -11.841 7.762 1.00 15.02 N ATOM 21 CA GLY A 2 9.021 -10.778 7.848 1.00 14.60 C ATOM 22 C GLY A 2 10.375 -11.230 7.340 1.00 13.81 C ATOM 23 O GLY A 2 10.575 -12.416 7.098 1.00 13.66 O ATOM 0 H GLY A 2 8.159 -12.469 6.967 1.00 15.02 H new ATOM 0 HA2 GLY A 2 8.682 -9.920 7.268 1.00 14.60 H new ATOM 0 HA3 GLY A 2 9.112 -10.448 8.883 1.00 14.60 H new ATOM 27 N ASP A 3 11.302 -10.291 7.180 1.00 13.48 N ATOM 28 CA ASP A 3 12.652 -10.603 6.700 1.00 12.89 C ATOM 29 C ASP A 3 13.658 -10.394 7.826 1.00 12.18 C ATOM 30 O ASP A 3 13.450 -10.864 8.947 1.00 12.23 O ATOM 31 CB ASP A 3 13.031 -9.729 5.484 1.00 13.20 C ATOM 32 CG ASP A 3 12.299 -10.127 4.215 1.00 13.55 C ATOM 33 OD1 ASP A 3 12.423 -11.297 3.795 1.00 13.96 O ATOM 34 OD2 ASP A 3 11.613 -9.266 3.628 1.00 13.59 O ATOM 0 H ASP A 3 11.146 -9.302 7.376 1.00 13.48 H new ATOM 0 HA ASP A 3 12.669 -11.646 6.383 1.00 12.89 H new ATOM 0 HB2 ASP A 3 12.812 -8.686 5.711 1.00 13.20 H new ATOM 0 HB3 ASP A 3 14.105 -9.799 5.314 1.00 13.20 H new ATOM 39 N THR A 4 14.739 -9.671 7.536 1.00 11.73 N ATOM 40 CA THR A 4 15.758 -9.390 8.546 1.00 11.23 C ATOM 41 C THR A 4 15.325 -8.196 9.406 1.00 10.51 C ATOM 42 O THR A 4 15.979 -7.150 9.443 1.00 10.53 O ATOM 43 CB THR A 4 17.097 -9.106 7.881 1.00 11.64 C ATOM 44 OG1 THR A 4 17.312 -9.986 6.783 1.00 12.39 O ATOM 45 CG2 THR A 4 18.281 -9.242 8.824 1.00 11.87 C ATOM 0 H THR A 4 14.931 -9.272 6.617 1.00 11.73 H new ATOM 0 HA THR A 4 15.870 -10.264 9.187 1.00 11.23 H new ATOM 0 HB THR A 4 17.039 -8.069 7.549 1.00 11.64 H new ATOM 0 HG1 THR A 4 18.177 -9.786 6.368 1.00 12.39 H new ATOM 0 HG21 THR A 4 19.203 -9.026 8.284 1.00 11.87 H new ATOM 0 HG22 THR A 4 18.171 -8.539 9.650 1.00 11.87 H new ATOM 0 HG23 THR A 4 18.320 -10.259 9.215 1.00 11.87 H new ATOM 53 N GLY A 5 14.204 -8.372 10.071 1.00 10.10 N ATOM 54 CA GLY A 5 13.640 -7.344 10.915 1.00 9.63 C ATOM 55 C GLY A 5 12.221 -7.703 11.331 1.00 9.04 C ATOM 56 O GLY A 5 11.596 -8.585 10.727 1.00 9.05 O ATOM 0 H GLY A 5 13.658 -9.233 10.041 1.00 10.10 H new ATOM 0 HA2 GLY A 5 14.261 -7.214 11.801 1.00 9.63 H new ATOM 0 HA3 GLY A 5 13.638 -6.392 10.384 1.00 9.63 H new ATOM 60 N LYS A 6 11.715 -7.033 12.360 1.00 8.78 N ATOM 61 CA LYS A 6 10.367 -7.284 12.863 1.00 8.49 C ATOM 62 C LYS A 6 9.329 -6.475 12.091 1.00 7.56 C ATOM 63 O LYS A 6 9.617 -5.930 11.016 1.00 7.43 O ATOM 64 CB LYS A 6 10.292 -6.980 14.363 1.00 9.13 C ATOM 65 CG LYS A 6 11.201 -7.878 15.177 1.00 9.99 C ATOM 66 CD LYS A 6 11.133 -7.575 16.664 1.00 10.66 C ATOM 67 CE LYS A 6 12.036 -8.521 17.445 1.00 11.46 C ATOM 68 NZ LYS A 6 12.001 -8.276 18.913 1.00 11.90 N ATOM 0 H LYS A 6 12.221 -6.306 12.866 1.00 8.78 H new ATOM 0 HA LYS A 6 10.140 -8.339 12.712 1.00 8.49 H new ATOM 0 HB2 LYS A 6 10.565 -5.939 14.535 1.00 9.13 H new ATOM 0 HB3 LYS A 6 9.264 -7.101 14.705 1.00 9.13 H new ATOM 0 HG2 LYS A 6 10.925 -8.919 15.008 1.00 9.99 H new ATOM 0 HG3 LYS A 6 12.228 -7.760 14.831 1.00 9.99 H new ATOM 0 HD2 LYS A 6 11.435 -6.543 16.845 1.00 10.66 H new ATOM 0 HD3 LYS A 6 10.105 -7.672 17.014 1.00 10.66 H new ATOM 0 HE2 LYS A 6 11.735 -9.549 17.246 1.00 11.46 H new ATOM 0 HE3 LYS A 6 13.060 -8.414 17.088 1.00 11.46 H new ATOM 0 HZ1 LYS A 6 12.634 -8.948 19.392 1.00 11.90 H new ATOM 0 HZ2 LYS A 6 12.315 -7.304 19.110 1.00 11.90 H new ATOM 0 HZ3 LYS A 6 11.030 -8.404 19.263 1.00 11.90 H new ATOM 82 N LEU A 7 8.117 -6.418 12.626 1.00 7.18 N ATOM 83 CA LEU A 7 7.014 -5.707 11.982 1.00 6.55 C ATOM 84 C LEU A 7 7.109 -4.206 12.224 1.00 5.97 C ATOM 85 O LEU A 7 6.196 -3.594 12.779 1.00 6.20 O ATOM 86 CB LEU A 7 5.668 -6.239 12.496 1.00 7.03 C ATOM 87 CG LEU A 7 4.459 -5.931 11.616 1.00 7.64 C ATOM 88 CD1 LEU A 7 4.613 -6.572 10.240 1.00 7.67 C ATOM 89 CD2 LEU A 7 3.181 -6.405 12.299 1.00 8.38 C ATOM 0 H LEU A 7 7.869 -6.859 13.512 1.00 7.18 H new ATOM 0 HA LEU A 7 7.082 -5.882 10.908 1.00 6.55 H new ATOM 0 HB2 LEU A 7 5.745 -7.320 12.612 1.00 7.03 H new ATOM 0 HB3 LEU A 7 5.488 -5.824 13.488 1.00 7.03 H new ATOM 0 HG LEU A 7 4.396 -4.852 11.474 1.00 7.64 H new ATOM 0 HD11 LEU A 7 3.740 -6.339 9.630 1.00 7.67 H new ATOM 0 HD12 LEU A 7 5.508 -6.183 9.755 1.00 7.67 H new ATOM 0 HD13 LEU A 7 4.701 -7.653 10.350 1.00 7.67 H new ATOM 0 HD21 LEU A 7 2.324 -6.181 11.664 1.00 8.38 H new ATOM 0 HD22 LEU A 7 3.236 -7.480 12.468 1.00 8.38 H new ATOM 0 HD23 LEU A 7 3.068 -5.893 13.255 1.00 8.38 H new ATOM 101 N GLY A 8 8.204 -3.616 11.790 1.00 5.56 N ATOM 102 CA GLY A 8 8.389 -2.201 11.943 1.00 5.28 C ATOM 103 C GLY A 8 8.427 -1.541 10.599 1.00 4.37 C ATOM 104 O GLY A 8 9.034 -0.485 10.440 1.00 4.43 O ATOM 0 H GLY A 8 8.975 -4.100 11.330 1.00 5.56 H new ATOM 0 HA2 GLY A 8 7.579 -1.782 12.540 1.00 5.28 H new ATOM 0 HA3 GLY A 8 9.316 -2.003 12.481 1.00 5.28 H new ATOM 108 N ARG A 9 7.782 -2.181 9.621 1.00 3.85 N ATOM 109 CA ARG A 9 7.741 -1.659 8.266 1.00 3.14 C ATOM 110 C ARG A 9 7.114 -0.282 8.245 1.00 2.98 C ATOM 111 O ARG A 9 5.899 -0.137 8.354 1.00 3.23 O ATOM 112 CB ARG A 9 6.973 -2.594 7.337 1.00 2.97 C ATOM 113 CG ARG A 9 7.809 -3.749 6.808 1.00 3.11 C ATOM 114 CD ARG A 9 7.898 -4.900 7.787 1.00 3.35 C ATOM 115 NE ARG A 9 8.873 -5.892 7.342 1.00 3.78 N ATOM 116 CZ ARG A 9 10.181 -5.735 7.466 1.00 4.27 C ATOM 117 NH1 ARG A 9 10.651 -5.062 8.494 1.00 4.46 N ATOM 118 NH2 ARG A 9 10.982 -6.577 6.854 1.00 4.95 N ATOM 0 H ARG A 9 7.283 -3.061 9.749 1.00 3.85 H new ATOM 0 HA ARG A 9 8.768 -1.587 7.908 1.00 3.14 H new ATOM 0 HB2 ARG A 9 6.111 -2.995 7.870 1.00 2.97 H new ATOM 0 HB3 ARG A 9 6.588 -2.020 6.495 1.00 2.97 H new ATOM 0 HG2 ARG A 9 7.378 -4.105 5.872 1.00 3.11 H new ATOM 0 HG3 ARG A 9 8.813 -3.392 6.581 1.00 3.11 H new ATOM 0 HD2 ARG A 9 8.179 -4.524 8.771 1.00 3.35 H new ATOM 0 HD3 ARG A 9 6.920 -5.369 7.893 1.00 3.35 H new ATOM 0 HE ARG A 9 8.528 -6.751 6.913 1.00 3.78 H new ATOM 0 HH11 ARG A 9 10.009 -4.669 9.183 1.00 4.46 H new ATOM 0 HH12 ARG A 9 11.657 -4.933 8.602 1.00 4.46 H new ATOM 0 HH21 ARG A 9 10.593 -7.336 6.295 1.00 4.95 H new ATOM 0 HH22 ARG A 9 11.993 -6.472 6.938 1.00 4.95 H new ATOM 132 N ILE A 10 7.968 0.712 8.145 1.00 2.78 N ATOM 133 CA ILE A 10 7.550 2.098 8.131 1.00 2.70 C ATOM 134 C ILE A 10 6.525 2.373 7.028 1.00 2.20 C ATOM 135 O ILE A 10 6.856 2.427 5.848 1.00 2.49 O ATOM 136 CB ILE A 10 8.767 3.055 7.978 1.00 2.80 C ATOM 137 CG1 ILE A 10 8.316 4.520 7.874 1.00 2.80 C ATOM 138 CG2 ILE A 10 9.607 2.669 6.767 1.00 2.55 C ATOM 139 CD1 ILE A 10 9.449 5.514 8.001 1.00 3.25 C ATOM 0 H ILE A 10 8.977 0.582 8.071 1.00 2.78 H new ATOM 0 HA ILE A 10 7.073 2.291 9.092 1.00 2.70 H new ATOM 0 HB ILE A 10 9.381 2.955 8.873 1.00 2.80 H new ATOM 0 HG12 ILE A 10 7.818 4.671 6.916 1.00 2.80 H new ATOM 0 HG13 ILE A 10 7.579 4.720 8.652 1.00 2.80 H new ATOM 0 HG21 ILE A 10 10.453 3.351 6.679 1.00 2.55 H new ATOM 0 HG22 ILE A 10 9.974 1.650 6.889 1.00 2.55 H new ATOM 0 HG23 ILE A 10 8.996 2.730 5.866 1.00 2.55 H new ATOM 0 HD11 ILE A 10 9.055 6.527 7.918 1.00 3.25 H new ATOM 0 HD12 ILE A 10 9.934 5.391 8.970 1.00 3.25 H new ATOM 0 HD13 ILE A 10 10.176 5.341 7.207 1.00 3.25 H new ATOM 151 N ILE A 11 5.279 2.547 7.443 1.00 1.98 N ATOM 152 CA ILE A 11 4.171 2.858 6.553 1.00 1.56 C ATOM 153 C ILE A 11 3.713 1.688 5.647 1.00 1.31 C ATOM 154 O ILE A 11 2.559 1.659 5.230 1.00 1.71 O ATOM 155 CB ILE A 11 4.516 4.034 5.599 1.00 1.37 C ATOM 156 CG1 ILE A 11 4.929 5.303 6.346 1.00 1.94 C ATOM 157 CG2 ILE A 11 3.344 4.356 4.703 1.00 1.05 C ATOM 158 CD1 ILE A 11 5.182 6.442 5.404 1.00 2.05 C ATOM 0 H ILE A 11 5.005 2.475 8.423 1.00 1.98 H new ATOM 0 HA ILE A 11 3.364 3.107 7.242 1.00 1.56 H new ATOM 0 HB ILE A 11 5.366 3.700 5.004 1.00 1.37 H new ATOM 0 HG12 ILE A 11 4.146 5.581 7.052 1.00 1.94 H new ATOM 0 HG13 ILE A 11 5.829 5.106 6.929 1.00 1.94 H new ATOM 0 HG21 ILE A 11 3.607 5.183 4.043 1.00 1.05 H new ATOM 0 HG22 ILE A 11 3.092 3.480 4.105 1.00 1.05 H new ATOM 0 HG23 ILE A 11 2.486 4.638 5.313 1.00 1.05 H new ATOM 0 HD11 ILE A 11 5.473 7.326 5.972 1.00 2.05 H new ATOM 0 HD12 ILE A 11 5.983 6.173 4.715 1.00 2.05 H new ATOM 0 HD13 ILE A 11 4.274 6.656 4.840 1.00 2.05 H new ATOM 170 N ARG A 12 4.618 0.802 5.230 1.00 0.96 N ATOM 171 CA ARG A 12 4.231 -0.190 4.228 1.00 1.02 C ATOM 172 C ARG A 12 3.533 -1.456 4.676 1.00 0.77 C ATOM 173 O ARG A 12 3.160 -2.247 3.807 1.00 0.91 O ATOM 174 CB ARG A 12 5.420 -0.651 3.414 1.00 1.53 C ATOM 175 CG ARG A 12 6.063 -1.939 3.939 1.00 2.10 C ATOM 176 CD ARG A 12 7.299 -2.370 3.156 1.00 2.67 C ATOM 177 NE ARG A 12 7.071 -2.464 1.727 1.00 3.29 N ATOM 178 CZ ARG A 12 7.864 -3.146 0.907 1.00 3.98 C ATOM 179 NH1 ARG A 12 8.600 -4.140 1.389 1.00 4.30 N ATOM 180 NH2 ARG A 12 7.627 -3.109 -0.393 1.00 4.72 N ATOM 0 H ARG A 12 5.584 0.749 5.554 1.00 0.96 H new ATOM 0 HA ARG A 12 3.493 0.389 3.673 1.00 1.02 H new ATOM 0 HB2 ARG A 12 5.104 -0.807 2.382 1.00 1.53 H new ATOM 0 HB3 ARG A 12 6.170 0.140 3.402 1.00 1.53 H new ATOM 0 HG2 ARG A 12 6.337 -1.798 4.985 1.00 2.10 H new ATOM 0 HG3 ARG A 12 5.326 -2.741 3.908 1.00 2.10 H new ATOM 0 HD2 ARG A 12 8.104 -1.659 3.342 1.00 2.67 H new ATOM 0 HD3 ARG A 12 7.636 -3.338 3.527 1.00 2.67 H new ATOM 0 HE ARG A 12 6.263 -1.983 1.332 1.00 3.29 H new ATOM 0 HH11 ARG A 12 8.554 -4.374 2.381 1.00 4.30 H new ATOM 0 HH12 ARG A 12 9.212 -4.669 0.768 1.00 4.30 H new ATOM 0 HH21 ARG A 12 6.845 -2.563 -0.753 1.00 4.72 H new ATOM 0 HH22 ARG A 12 8.226 -3.627 -1.036 1.00 4.72 H new ATOM 194 N HIS A 13 3.429 -1.782 5.928 1.00 0.70 N ATOM 195 CA HIS A 13 2.873 -3.098 6.168 1.00 0.68 C ATOM 196 C HIS A 13 1.513 -3.183 6.866 1.00 0.74 C ATOM 197 O HIS A 13 1.375 -2.916 8.061 1.00 1.04 O ATOM 198 CB HIS A 13 3.918 -3.943 6.898 1.00 0.93 C ATOM 199 CG HIS A 13 3.683 -5.426 6.811 1.00 1.07 C ATOM 200 ND1 HIS A 13 2.630 -6.061 7.445 1.00 1.69 N ATOM 201 CD2 HIS A 13 4.349 -6.400 6.138 1.00 1.46 C ATOM 202 CE1 HIS A 13 2.657 -7.342 7.161 1.00 1.98 C ATOM 203 NE2 HIS A 13 3.682 -7.578 6.371 1.00 1.80 N ATOM 0 H HIS A 13 3.691 -1.223 6.740 1.00 0.70 H new ATOM 0 HA HIS A 13 2.642 -3.486 5.176 1.00 0.68 H new ATOM 0 HB2 HIS A 13 4.902 -3.718 6.487 1.00 0.93 H new ATOM 0 HB3 HIS A 13 3.936 -3.650 7.948 1.00 0.93 H new ATOM 0 HD2 HIS A 13 5.235 -6.272 5.534 1.00 1.46 H new ATOM 0 HE1 HIS A 13 1.954 -8.080 7.517 1.00 1.98 H new ATOM 0 HE2 HIS A 13 3.940 -8.489 5.992 1.00 1.80 H new ATOM 212 N ASP A 14 0.537 -3.654 6.086 1.00 0.60 N ATOM 213 CA ASP A 14 -0.826 -3.910 6.556 1.00 0.69 C ATOM 214 C ASP A 14 -1.550 -4.813 5.563 1.00 0.61 C ATOM 215 O ASP A 14 -1.245 -4.814 4.373 1.00 0.86 O ATOM 216 CB ASP A 14 -1.640 -2.633 6.738 1.00 0.83 C ATOM 217 CG ASP A 14 -2.863 -2.858 7.614 1.00 1.31 C ATOM 218 OD1 ASP A 14 -2.948 -3.931 8.264 1.00 1.78 O ATOM 219 OD2 ASP A 14 -3.730 -1.967 7.663 1.00 2.03 O ATOM 0 H ASP A 14 0.673 -3.871 5.099 1.00 0.60 H new ATOM 0 HA ASP A 14 -0.737 -4.390 7.531 1.00 0.69 H new ATOM 0 HB2 ASP A 14 -1.011 -1.862 7.184 1.00 0.83 H new ATOM 0 HB3 ASP A 14 -1.956 -2.262 5.763 1.00 0.83 H new ATOM 224 N ALA A 15 -2.504 -5.572 6.058 1.00 0.75 N ATOM 225 CA ALA A 15 -3.286 -6.471 5.221 1.00 0.71 C ATOM 226 C ALA A 15 -4.612 -5.831 4.854 1.00 0.68 C ATOM 227 O ALA A 15 -5.458 -5.573 5.708 1.00 0.88 O ATOM 228 CB ALA A 15 -3.507 -7.794 5.932 1.00 0.84 C ATOM 0 H ALA A 15 -2.762 -5.587 7.045 1.00 0.75 H new ATOM 0 HA ALA A 15 -2.733 -6.663 4.302 1.00 0.71 H new ATOM 0 HB1 ALA A 15 -4.093 -8.456 5.295 1.00 0.84 H new ATOM 0 HB2 ALA A 15 -2.544 -8.257 6.148 1.00 0.84 H new ATOM 0 HB3 ALA A 15 -4.043 -7.621 6.865 1.00 0.84 H new ATOM 234 N PHE A 16 -4.771 -5.551 3.574 1.00 0.60 N ATOM 235 CA PHE A 16 -5.976 -4.911 3.081 1.00 0.67 C ATOM 236 C PHE A 16 -6.805 -5.814 2.192 1.00 0.68 C ATOM 237 O PHE A 16 -6.541 -5.970 1.001 1.00 1.00 O ATOM 238 CB PHE A 16 -5.598 -3.649 2.334 1.00 0.77 C ATOM 239 CG PHE A 16 -5.137 -2.524 3.215 1.00 1.09 C ATOM 240 CD1 PHE A 16 -6.006 -1.897 4.075 1.00 1.83 C ATOM 241 CD2 PHE A 16 -3.827 -2.089 3.160 1.00 1.74 C ATOM 242 CE1 PHE A 16 -5.572 -0.843 4.855 1.00 2.36 C ATOM 243 CE2 PHE A 16 -3.389 -1.038 3.940 1.00 2.26 C ATOM 244 CZ PHE A 16 -4.267 -0.415 4.784 1.00 2.35 C ATOM 0 H PHE A 16 -4.078 -5.758 2.855 1.00 0.60 H new ATOM 0 HA PHE A 16 -6.597 -4.673 3.944 1.00 0.67 H new ATOM 0 HB2 PHE A 16 -4.807 -3.885 1.622 1.00 0.77 H new ATOM 0 HB3 PHE A 16 -6.458 -3.312 1.755 1.00 0.77 H new ATOM 0 HD1 PHE A 16 -7.031 -2.229 4.141 1.00 1.83 H new ATOM 0 HD2 PHE A 16 -3.133 -2.580 2.494 1.00 1.74 H new ATOM 0 HE1 PHE A 16 -6.262 -0.352 5.525 1.00 2.36 H new ATOM 0 HE2 PHE A 16 -2.361 -0.710 3.884 1.00 2.26 H new ATOM 0 HZ PHE A 16 -3.936 0.412 5.394 1.00 2.35 H new ATOM 254 N GLN A 17 -7.852 -6.348 2.783 1.00 0.59 N ATOM 255 CA GLN A 17 -8.801 -7.180 2.065 1.00 0.60 C ATOM 256 C GLN A 17 -9.890 -6.247 1.624 1.00 0.64 C ATOM 257 O GLN A 17 -10.584 -5.662 2.454 1.00 0.95 O ATOM 258 CB GLN A 17 -9.342 -8.290 2.954 1.00 0.74 C ATOM 259 CG GLN A 17 -10.293 -9.234 2.245 1.00 1.07 C ATOM 260 CD GLN A 17 -10.768 -10.321 3.167 1.00 1.26 C ATOM 261 OE1 GLN A 17 -11.420 -10.042 4.162 1.00 1.81 O ATOM 262 NE2 GLN A 17 -10.438 -11.563 2.859 1.00 1.63 N ATOM 0 H GLN A 17 -8.071 -6.220 3.771 1.00 0.59 H new ATOM 0 HA GLN A 17 -8.338 -7.683 1.216 1.00 0.60 H new ATOM 0 HB2 GLN A 17 -8.505 -8.864 3.352 1.00 0.74 H new ATOM 0 HB3 GLN A 17 -9.856 -7.843 3.805 1.00 0.74 H new ATOM 0 HG2 GLN A 17 -11.149 -8.675 1.866 1.00 1.07 H new ATOM 0 HG3 GLN A 17 -9.794 -9.677 1.383 1.00 1.07 H new ATOM 0 HE21 GLN A 17 -9.892 -11.752 2.018 1.00 1.63 H new ATOM 0 HE22 GLN A 17 -10.729 -12.332 3.462 1.00 1.63 H new ATOM 271 N VAL A 18 -10.004 -6.044 0.327 1.00 0.51 N ATOM 272 CA VAL A 18 -10.951 -5.085 -0.162 1.00 0.59 C ATOM 273 C VAL A 18 -11.268 -5.274 -1.634 1.00 0.60 C ATOM 274 O VAL A 18 -10.526 -5.897 -2.405 1.00 1.04 O ATOM 275 CB VAL A 18 -10.376 -3.680 0.103 1.00 0.83 C ATOM 276 CG1 VAL A 18 -8.973 -3.591 -0.483 1.00 0.84 C ATOM 277 CG2 VAL A 18 -11.303 -2.581 -0.414 1.00 1.24 C ATOM 0 H VAL A 18 -9.460 -6.524 -0.390 1.00 0.51 H new ATOM 0 HA VAL A 18 -11.897 -5.221 0.362 1.00 0.59 H new ATOM 0 HB VAL A 18 -10.305 -3.519 1.179 1.00 0.83 H new ATOM 0 HG11 VAL A 18 -8.563 -2.598 -0.297 1.00 0.84 H new ATOM 0 HG12 VAL A 18 -8.335 -4.340 -0.015 1.00 0.84 H new ATOM 0 HG13 VAL A 18 -9.015 -3.771 -1.557 1.00 0.84 H new ATOM 0 HG21 VAL A 18 -10.862 -1.606 -0.208 1.00 1.24 H new ATOM 0 HG22 VAL A 18 -11.441 -2.697 -1.489 1.00 1.24 H new ATOM 0 HG23 VAL A 18 -12.269 -2.655 0.086 1.00 1.24 H new ATOM 287 N TRP A 19 -12.394 -4.738 -1.977 1.00 0.63 N ATOM 288 CA TRP A 19 -12.947 -4.777 -3.290 1.00 0.65 C ATOM 289 C TRP A 19 -12.028 -4.123 -4.317 1.00 0.68 C ATOM 290 O TRP A 19 -11.799 -2.916 -4.291 1.00 1.04 O ATOM 291 CB TRP A 19 -14.287 -4.074 -3.204 1.00 0.72 C ATOM 292 CG TRP A 19 -15.105 -4.542 -2.023 1.00 0.75 C ATOM 293 CD1 TRP A 19 -15.850 -5.689 -1.939 1.00 0.83 C ATOM 294 CD2 TRP A 19 -15.206 -3.911 -0.730 1.00 0.78 C ATOM 295 NE1 TRP A 19 -16.463 -5.765 -0.714 1.00 0.90 N ATOM 296 CE2 TRP A 19 -16.074 -4.696 0.050 1.00 0.87 C ATOM 297 CE3 TRP A 19 -14.666 -2.754 -0.163 1.00 0.79 C ATOM 298 CZ2 TRP A 19 -16.406 -4.358 1.356 1.00 0.95 C ATOM 299 CZ3 TRP A 19 -14.996 -2.426 1.138 1.00 0.89 C ATOM 300 CH2 TRP A 19 -15.860 -3.226 1.884 1.00 0.96 C ATOM 0 H TRP A 19 -12.983 -4.235 -1.313 1.00 0.63 H new ATOM 0 HA TRP A 19 -13.066 -5.806 -3.631 1.00 0.65 H new ATOM 0 HB2 TRP A 19 -14.126 -2.999 -3.129 1.00 0.72 H new ATOM 0 HB3 TRP A 19 -14.846 -4.249 -4.123 1.00 0.72 H new ATOM 0 HD1 TRP A 19 -15.941 -6.426 -2.723 1.00 0.83 H new ATOM 0 HE1 TRP A 19 -17.106 -6.500 -0.419 1.00 0.90 H new ATOM 0 HE3 TRP A 19 -14.000 -2.124 -0.734 1.00 0.79 H new ATOM 0 HZ2 TRP A 19 -17.077 -4.974 1.936 1.00 0.95 H new ATOM 0 HZ3 TRP A 19 -14.578 -1.536 1.584 1.00 0.89 H new ATOM 0 HH2 TRP A 19 -16.101 -2.944 2.898 1.00 0.96 H new ATOM 311 N GLU A 20 -11.507 -4.951 -5.209 1.00 0.69 N ATOM 312 CA GLU A 20 -10.599 -4.504 -6.255 1.00 0.77 C ATOM 313 C GLU A 20 -11.328 -4.351 -7.584 1.00 1.18 C ATOM 314 O GLU A 20 -11.668 -5.331 -8.236 1.00 1.81 O ATOM 315 CB GLU A 20 -9.456 -5.506 -6.410 1.00 1.04 C ATOM 316 CG GLU A 20 -8.320 -5.039 -7.301 1.00 1.26 C ATOM 317 CD GLU A 20 -8.455 -5.518 -8.729 1.00 1.90 C ATOM 318 OE1 GLU A 20 -8.387 -6.747 -8.947 1.00 2.42 O ATOM 319 OE2 GLU A 20 -8.618 -4.677 -9.638 1.00 2.62 O ATOM 0 H GLU A 20 -11.701 -5.952 -5.229 1.00 0.69 H new ATOM 0 HA GLU A 20 -10.200 -3.531 -5.967 1.00 0.77 H new ATOM 0 HB2 GLU A 20 -9.055 -5.734 -5.423 1.00 1.04 H new ATOM 0 HB3 GLU A 20 -9.858 -6.435 -6.814 1.00 1.04 H new ATOM 0 HG2 GLU A 20 -8.282 -3.950 -7.291 1.00 1.26 H new ATOM 0 HG3 GLU A 20 -7.375 -5.395 -6.892 1.00 1.26 H new ATOM 326 N GLY A 21 -11.513 -3.120 -8.002 1.00 1.49 N ATOM 327 CA GLY A 21 -12.140 -2.856 -9.275 1.00 1.95 C ATOM 328 C GLY A 21 -13.597 -3.265 -9.380 1.00 2.05 C ATOM 329 O GLY A 21 -14.487 -2.457 -9.124 1.00 2.48 O ATOM 0 H GLY A 21 -11.239 -2.288 -7.480 1.00 1.49 H new ATOM 0 HA2 GLY A 21 -12.064 -1.789 -9.484 1.00 1.95 H new ATOM 0 HA3 GLY A 21 -11.578 -3.374 -10.052 1.00 1.95 H new ATOM 333 N ASP A 22 -13.848 -4.510 -9.778 1.00 2.34 N ATOM 334 CA ASP A 22 -15.228 -5.022 -9.946 1.00 2.75 C ATOM 335 C ASP A 22 -15.885 -5.337 -8.596 1.00 2.43 C ATOM 336 O ASP A 22 -16.680 -6.269 -8.479 1.00 2.85 O ATOM 337 CB ASP A 22 -15.228 -6.299 -10.797 1.00 3.62 C ATOM 338 CG ASP A 22 -14.497 -6.134 -12.107 1.00 4.19 C ATOM 339 OD1 ASP A 22 -14.839 -5.220 -12.879 1.00 4.65 O ATOM 340 OD2 ASP A 22 -13.576 -6.926 -12.373 1.00 4.60 O ATOM 0 H ASP A 22 -13.121 -5.192 -9.993 1.00 2.34 H new ATOM 0 HA ASP A 22 -15.798 -4.238 -10.443 1.00 2.75 H new ATOM 0 HB2 ASP A 22 -14.767 -7.107 -10.229 1.00 3.62 H new ATOM 0 HB3 ASP A 22 -16.258 -6.596 -10.997 1.00 3.62 H new ATOM 345 N GLU A 23 -15.520 -4.552 -7.581 1.00 2.07 N ATOM 346 CA GLU A 23 -16.009 -4.672 -6.208 1.00 2.37 C ATOM 347 C GLU A 23 -15.922 -6.069 -5.555 1.00 1.70 C ATOM 348 O GLU A 23 -16.750 -6.371 -4.690 1.00 1.86 O ATOM 349 CB GLU A 23 -17.421 -4.131 -6.087 1.00 3.34 C ATOM 350 CG GLU A 23 -17.458 -2.635 -5.837 1.00 4.22 C ATOM 351 CD GLU A 23 -18.703 -2.199 -5.107 1.00 5.12 C ATOM 352 OE1 GLU A 23 -19.817 -2.477 -5.587 1.00 5.78 O ATOM 353 OE2 GLU A 23 -18.583 -1.567 -4.035 1.00 5.52 O ATOM 0 H GLU A 23 -14.853 -3.789 -7.697 1.00 2.07 H new ATOM 0 HA GLU A 23 -15.305 -4.065 -5.639 1.00 2.37 H new ATOM 0 HB2 GLU A 23 -17.971 -4.356 -7.001 1.00 3.34 H new ATOM 0 HB3 GLU A 23 -17.933 -4.644 -5.273 1.00 3.34 H new ATOM 0 HG2 GLU A 23 -16.581 -2.346 -5.257 1.00 4.22 H new ATOM 0 HG3 GLU A 23 -17.398 -2.110 -6.790 1.00 4.22 H new ATOM 360 N PRO A 24 -14.935 -6.933 -5.874 1.00 1.42 N ATOM 361 CA PRO A 24 -14.805 -8.224 -5.208 1.00 1.17 C ATOM 362 C PRO A 24 -13.849 -8.093 -4.031 1.00 0.97 C ATOM 363 O PRO A 24 -12.792 -7.468 -4.152 1.00 1.08 O ATOM 364 CB PRO A 24 -14.213 -9.104 -6.294 1.00 1.65 C ATOM 365 CG PRO A 24 -13.422 -8.168 -7.171 1.00 2.09 C ATOM 366 CD PRO A 24 -13.831 -6.749 -6.833 1.00 2.00 C ATOM 0 HA PRO A 24 -15.739 -8.618 -4.807 1.00 1.17 H new ATOM 0 HB2 PRO A 24 -13.575 -9.879 -5.869 1.00 1.65 H new ATOM 0 HB3 PRO A 24 -14.995 -9.610 -6.861 1.00 1.65 H new ATOM 0 HG2 PRO A 24 -12.353 -8.305 -7.008 1.00 2.09 H new ATOM 0 HG3 PRO A 24 -13.613 -8.379 -8.223 1.00 2.09 H new ATOM 0 HD2 PRO A 24 -13.007 -6.187 -6.394 1.00 2.00 H new ATOM 0 HD3 PRO A 24 -14.154 -6.202 -7.719 1.00 2.00 H new ATOM 374 N PRO A 25 -14.192 -8.637 -2.861 1.00 0.88 N ATOM 375 CA PRO A 25 -13.331 -8.512 -1.682 1.00 0.77 C ATOM 376 C PRO A 25 -12.064 -9.322 -1.828 1.00 0.74 C ATOM 377 O PRO A 25 -11.926 -10.431 -1.316 1.00 0.92 O ATOM 378 CB PRO A 25 -14.183 -9.008 -0.533 1.00 0.92 C ATOM 379 CG PRO A 25 -15.578 -9.135 -1.082 1.00 1.08 C ATOM 380 CD PRO A 25 -15.433 -9.361 -2.569 1.00 1.09 C ATOM 0 HA PRO A 25 -12.994 -7.487 -1.528 1.00 0.77 H new ATOM 0 HB2 PRO A 25 -13.820 -9.967 -0.162 1.00 0.92 H new ATOM 0 HB3 PRO A 25 -14.154 -8.311 0.304 1.00 0.92 H new ATOM 0 HG2 PRO A 25 -16.106 -9.965 -0.613 1.00 1.08 H new ATOM 0 HG3 PRO A 25 -16.158 -8.234 -0.881 1.00 1.08 H new ATOM 0 HD2 PRO A 25 -15.357 -10.420 -2.816 1.00 1.09 H new ATOM 0 HD3 PRO A 25 -16.280 -8.963 -3.128 1.00 1.09 H new ATOM 388 N LYS A 26 -11.181 -8.724 -2.567 1.00 0.65 N ATOM 389 CA LYS A 26 -9.893 -9.274 -2.915 1.00 0.73 C ATOM 390 C LYS A 26 -8.822 -8.896 -1.880 1.00 0.66 C ATOM 391 O LYS A 26 -8.457 -7.727 -1.730 1.00 0.88 O ATOM 392 CB LYS A 26 -9.536 -8.723 -4.300 1.00 0.95 C ATOM 393 CG LYS A 26 -8.382 -9.417 -4.993 1.00 1.34 C ATOM 394 CD LYS A 26 -8.201 -8.855 -6.393 1.00 1.42 C ATOM 395 CE LYS A 26 -7.211 -9.643 -7.226 1.00 1.61 C ATOM 396 NZ LYS A 26 -6.951 -8.987 -8.527 1.00 2.20 N ATOM 0 H LYS A 26 -11.339 -7.798 -2.965 1.00 0.65 H new ATOM 0 HA LYS A 26 -9.934 -10.363 -2.927 1.00 0.73 H new ATOM 0 HB2 LYS A 26 -10.417 -8.792 -4.939 1.00 0.95 H new ATOM 0 HB3 LYS A 26 -9.296 -7.664 -4.201 1.00 0.95 H new ATOM 0 HG2 LYS A 26 -7.467 -9.281 -4.417 1.00 1.34 H new ATOM 0 HG3 LYS A 26 -8.570 -10.489 -5.044 1.00 1.34 H new ATOM 0 HD2 LYS A 26 -9.165 -8.843 -6.901 1.00 1.42 H new ATOM 0 HD3 LYS A 26 -7.865 -7.821 -6.322 1.00 1.42 H new ATOM 0 HE2 LYS A 26 -6.275 -9.748 -6.677 1.00 1.61 H new ATOM 0 HE3 LYS A 26 -7.596 -10.649 -7.395 1.00 1.61 H new ATOM 0 HZ1 LYS A 26 -7.267 -9.609 -9.299 1.00 2.20 H new ATOM 0 HZ2 LYS A 26 -7.471 -8.088 -8.572 1.00 2.20 H new ATOM 0 HZ3 LYS A 26 -5.932 -8.803 -8.626 1.00 2.20 H new ATOM 410 N LEU A 27 -8.330 -9.900 -1.178 1.00 0.67 N ATOM 411 CA LEU A 27 -7.299 -9.706 -0.177 1.00 0.65 C ATOM 412 C LEU A 27 -6.050 -9.154 -0.859 1.00 0.67 C ATOM 413 O LEU A 27 -5.694 -9.596 -1.949 1.00 1.02 O ATOM 414 CB LEU A 27 -6.976 -11.046 0.486 1.00 0.76 C ATOM 415 CG LEU A 27 -6.694 -11.007 1.990 1.00 0.93 C ATOM 416 CD1 LEU A 27 -6.375 -12.396 2.514 1.00 1.23 C ATOM 417 CD2 LEU A 27 -5.578 -10.041 2.339 1.00 1.31 C ATOM 0 H LEU A 27 -8.632 -10.868 -1.285 1.00 0.67 H new ATOM 0 HA LEU A 27 -7.643 -9.005 0.584 1.00 0.65 H new ATOM 0 HB2 LEU A 27 -7.811 -11.724 0.312 1.00 0.76 H new ATOM 0 HB3 LEU A 27 -6.108 -11.475 -0.014 1.00 0.76 H new ATOM 0 HG LEU A 27 -7.601 -10.646 2.475 1.00 0.93 H new ATOM 0 HD11 LEU A 27 -6.178 -12.345 3.585 1.00 1.23 H new ATOM 0 HD12 LEU A 27 -7.223 -13.057 2.332 1.00 1.23 H new ATOM 0 HD13 LEU A 27 -5.495 -12.785 2.001 1.00 1.23 H new ATOM 0 HD21 LEU A 27 -5.414 -10.048 3.417 1.00 1.31 H new ATOM 0 HD22 LEU A 27 -4.662 -10.344 1.831 1.00 1.31 H new ATOM 0 HD23 LEU A 27 -5.854 -9.036 2.021 1.00 1.31 H new ATOM 429 N ARG A 28 -5.396 -8.186 -0.243 1.00 0.57 N ATOM 430 CA ARG A 28 -4.197 -7.609 -0.819 1.00 0.59 C ATOM 431 C ARG A 28 -3.194 -7.219 0.265 1.00 0.55 C ATOM 432 O ARG A 28 -3.536 -6.548 1.238 1.00 0.64 O ATOM 433 CB ARG A 28 -4.519 -6.378 -1.673 1.00 0.71 C ATOM 434 CG ARG A 28 -4.383 -6.605 -3.183 1.00 1.41 C ATOM 435 CD ARG A 28 -5.671 -7.167 -3.791 1.00 1.72 C ATOM 436 NE ARG A 28 -6.855 -6.357 -3.498 1.00 1.97 N ATOM 437 CZ ARG A 28 -7.064 -5.119 -3.957 1.00 2.42 C ATOM 438 NH1 ARG A 28 -6.267 -4.587 -4.885 1.00 2.77 N ATOM 439 NH2 ARG A 28 -8.155 -4.467 -3.596 1.00 3.18 N ATOM 0 H ARG A 28 -5.674 -7.785 0.653 1.00 0.57 H new ATOM 0 HA ARG A 28 -3.756 -8.375 -1.456 1.00 0.59 H new ATOM 0 HB2 ARG A 28 -5.538 -6.056 -1.456 1.00 0.71 H new ATOM 0 HB3 ARG A 28 -3.858 -5.563 -1.379 1.00 0.71 H new ATOM 0 HG2 ARG A 28 -4.131 -5.663 -3.671 1.00 1.41 H new ATOM 0 HG3 ARG A 28 -3.560 -7.293 -3.375 1.00 1.41 H new ATOM 0 HD2 ARG A 28 -5.551 -7.243 -4.872 1.00 1.72 H new ATOM 0 HD3 ARG A 28 -5.830 -8.178 -3.416 1.00 1.72 H new ATOM 0 HE ARG A 28 -7.573 -6.767 -2.900 1.00 1.97 H new ATOM 0 HH11 ARG A 28 -5.484 -5.126 -5.255 1.00 2.77 H new ATOM 0 HH12 ARG A 28 -6.440 -3.641 -5.225 1.00 2.77 H new ATOM 0 HH21 ARG A 28 -8.830 -4.909 -2.972 1.00 3.18 H new ATOM 0 HH22 ARG A 28 -8.322 -3.522 -3.942 1.00 3.18 H new ATOM 453 N TYR A 29 -1.950 -7.609 0.069 1.00 0.55 N ATOM 454 CA TYR A 29 -0.878 -7.262 0.989 1.00 0.59 C ATOM 455 C TYR A 29 -0.240 -5.997 0.460 1.00 0.55 C ATOM 456 O TYR A 29 0.618 -6.059 -0.416 1.00 0.70 O ATOM 457 CB TYR A 29 0.157 -8.392 1.059 1.00 0.71 C ATOM 458 CG TYR A 29 -0.319 -9.612 1.831 1.00 0.77 C ATOM 459 CD1 TYR A 29 -1.547 -9.607 2.485 1.00 1.46 C ATOM 460 CD2 TYR A 29 0.461 -10.760 1.920 1.00 1.38 C ATOM 461 CE1 TYR A 29 -1.977 -10.714 3.202 1.00 1.63 C ATOM 462 CE2 TYR A 29 0.037 -11.860 2.635 1.00 1.55 C ATOM 463 CZ TYR A 29 -1.181 -11.831 3.272 1.00 1.26 C ATOM 464 OH TYR A 29 -1.592 -12.920 3.994 1.00 1.58 O ATOM 0 H TYR A 29 -1.652 -8.172 -0.727 1.00 0.55 H new ATOM 0 HA TYR A 29 -1.265 -7.113 1.997 1.00 0.59 H new ATOM 0 HB2 TYR A 29 0.420 -8.695 0.045 1.00 0.71 H new ATOM 0 HB3 TYR A 29 1.066 -8.011 1.524 1.00 0.71 H new ATOM 0 HD1 TYR A 29 -2.174 -8.729 2.434 1.00 1.46 H new ATOM 0 HD2 TYR A 29 1.417 -10.790 1.419 1.00 1.38 H new ATOM 0 HE1 TYR A 29 -2.934 -10.698 3.703 1.00 1.63 H new ATOM 0 HE2 TYR A 29 0.659 -12.741 2.694 1.00 1.55 H new ATOM 0 HH TYR A 29 -0.913 -13.624 3.939 1.00 1.58 H new ATOM 474 N VAL A 30 -0.708 -4.845 0.932 1.00 0.48 N ATOM 475 CA VAL A 30 -0.219 -3.562 0.442 1.00 0.48 C ATOM 476 C VAL A 30 1.076 -3.166 1.126 1.00 0.49 C ATOM 477 O VAL A 30 1.200 -3.279 2.347 1.00 0.59 O ATOM 478 CB VAL A 30 -1.278 -2.457 0.646 1.00 0.54 C ATOM 479 CG1 VAL A 30 -0.807 -1.134 0.025 1.00 0.60 C ATOM 480 CG2 VAL A 30 -2.603 -2.879 0.037 1.00 0.65 C ATOM 0 H VAL A 30 -1.426 -4.775 1.654 1.00 0.48 H new ATOM 0 HA VAL A 30 -0.024 -3.674 -0.625 1.00 0.48 H new ATOM 0 HB VAL A 30 -1.415 -2.306 1.717 1.00 0.54 H new ATOM 0 HG11 VAL A 30 -1.567 -0.368 0.180 1.00 0.60 H new ATOM 0 HG12 VAL A 30 0.124 -0.821 0.498 1.00 0.60 H new ATOM 0 HG13 VAL A 30 -0.643 -1.272 -1.044 1.00 0.60 H new ATOM 0 HG21 VAL A 30 -3.340 -2.091 0.188 1.00 0.65 H new ATOM 0 HG22 VAL A 30 -2.473 -3.055 -1.031 1.00 0.65 H new ATOM 0 HG23 VAL A 30 -2.948 -3.795 0.516 1.00 0.65 H new ATOM 490 N PHE A 31 2.042 -2.723 0.333 1.00 0.49 N ATOM 491 CA PHE A 31 3.336 -2.336 0.854 1.00 0.54 C ATOM 492 C PHE A 31 3.808 -0.981 0.291 1.00 0.52 C ATOM 493 O PHE A 31 4.268 -0.914 -0.839 1.00 0.56 O ATOM 494 CB PHE A 31 4.387 -3.403 0.503 1.00 0.61 C ATOM 495 CG PHE A 31 4.144 -4.782 1.049 1.00 0.61 C ATOM 496 CD1 PHE A 31 4.213 -5.050 2.404 1.00 1.22 C ATOM 497 CD2 PHE A 31 3.870 -5.825 0.181 1.00 1.44 C ATOM 498 CE1 PHE A 31 4.010 -6.344 2.872 1.00 1.30 C ATOM 499 CE2 PHE A 31 3.669 -7.106 0.646 1.00 1.49 C ATOM 500 CZ PHE A 31 3.741 -7.366 1.989 1.00 0.85 C ATOM 0 H PHE A 31 1.948 -2.624 -0.678 1.00 0.49 H new ATOM 0 HA PHE A 31 3.228 -2.243 1.935 1.00 0.54 H new ATOM 0 HB2 PHE A 31 4.455 -3.472 -0.583 1.00 0.61 H new ATOM 0 HB3 PHE A 31 5.357 -3.059 0.862 1.00 0.61 H new ATOM 0 HD1 PHE A 31 4.425 -4.252 3.101 1.00 1.22 H new ATOM 0 HD2 PHE A 31 3.813 -5.631 -0.880 1.00 1.44 H new ATOM 0 HE1 PHE A 31 4.064 -6.548 3.931 1.00 1.30 H new ATOM 0 HE2 PHE A 31 3.455 -7.905 -0.048 1.00 1.49 H new ATOM 0 HZ PHE A 31 3.587 -8.370 2.355 1.00 0.85 H new ATOM 510 N LEU A 32 3.760 0.085 1.088 1.00 0.57 N ATOM 511 CA LEU A 32 4.275 1.380 0.618 1.00 0.59 C ATOM 512 C LEU A 32 5.378 1.934 1.511 1.00 0.67 C ATOM 513 O LEU A 32 5.156 2.281 2.669 1.00 0.84 O ATOM 514 CB LEU A 32 3.197 2.431 0.453 1.00 0.74 C ATOM 515 CG LEU A 32 1.995 2.349 1.399 1.00 0.98 C ATOM 516 CD1 LEU A 32 1.734 3.702 2.024 1.00 1.10 C ATOM 517 CD2 LEU A 32 0.760 1.925 0.622 1.00 1.43 C ATOM 0 H LEU A 32 3.383 0.086 2.036 1.00 0.57 H new ATOM 0 HA LEU A 32 4.692 1.162 -0.365 1.00 0.59 H new ATOM 0 HB2 LEU A 32 3.658 3.411 0.575 1.00 0.74 H new ATOM 0 HB3 LEU A 32 2.827 2.378 -0.571 1.00 0.74 H new ATOM 0 HG LEU A 32 2.214 1.620 2.179 1.00 0.98 H new ATOM 0 HD11 LEU A 32 0.878 3.634 2.695 1.00 1.10 H new ATOM 0 HD12 LEU A 32 2.612 4.018 2.587 1.00 1.10 H new ATOM 0 HD13 LEU A 32 1.524 4.430 1.241 1.00 1.10 H new ATOM 0 HD21 LEU A 32 -0.093 1.868 1.298 1.00 1.43 H new ATOM 0 HD22 LEU A 32 0.554 2.655 -0.161 1.00 1.43 H new ATOM 0 HD23 LEU A 32 0.932 0.948 0.171 1.00 1.43 H new ATOM 529 N PHE A 33 6.561 2.032 0.931 1.00 0.75 N ATOM 530 CA PHE A 33 7.732 2.564 1.616 1.00 0.96 C ATOM 531 C PHE A 33 8.108 3.920 1.012 1.00 1.08 C ATOM 532 O PHE A 33 7.247 4.770 0.790 1.00 1.56 O ATOM 533 CB PHE A 33 8.921 1.600 1.501 1.00 1.17 C ATOM 534 CG PHE A 33 9.192 0.731 2.714 1.00 1.36 C ATOM 535 CD1 PHE A 33 8.343 0.714 3.804 1.00 2.01 C ATOM 536 CD2 PHE A 33 10.322 -0.063 2.761 1.00 1.79 C ATOM 537 CE1 PHE A 33 8.608 -0.087 4.909 1.00 2.28 C ATOM 538 CE2 PHE A 33 10.598 -0.859 3.861 1.00 2.06 C ATOM 539 CZ PHE A 33 9.742 -0.879 4.934 1.00 2.01 C ATOM 0 H PHE A 33 6.740 1.745 -0.031 1.00 0.75 H new ATOM 0 HA PHE A 33 7.489 2.685 2.672 1.00 0.96 H new ATOM 0 HB2 PHE A 33 8.754 0.949 0.643 1.00 1.17 H new ATOM 0 HB3 PHE A 33 9.817 2.183 1.289 1.00 1.17 H new ATOM 0 HD1 PHE A 33 7.458 1.334 3.797 1.00 2.01 H new ATOM 0 HD2 PHE A 33 11.004 -0.063 1.923 1.00 1.79 H new ATOM 0 HE1 PHE A 33 7.928 -0.091 5.748 1.00 2.28 H new ATOM 0 HE2 PHE A 33 11.491 -1.467 3.874 1.00 2.06 H new ATOM 0 HZ PHE A 33 9.951 -1.506 5.788 1.00 2.01 H new ATOM 549 N ARG A 34 9.387 4.123 0.718 1.00 1.04 N ATOM 550 CA ARG A 34 9.835 5.378 0.128 1.00 1.17 C ATOM 551 C ARG A 34 10.011 5.251 -1.371 1.00 1.03 C ATOM 552 O ARG A 34 10.226 6.253 -2.059 1.00 1.87 O ATOM 553 CB ARG A 34 11.146 5.855 0.749 1.00 1.83 C ATOM 554 CG ARG A 34 10.978 6.458 2.131 1.00 2.51 C ATOM 555 CD ARG A 34 12.311 6.827 2.748 1.00 3.05 C ATOM 556 NE ARG A 34 13.206 7.533 1.826 1.00 3.66 N ATOM 557 CZ ARG A 34 14.425 7.950 2.165 1.00 4.29 C ATOM 558 NH1 ARG A 34 14.776 7.980 3.443 1.00 4.48 N ATOM 559 NH2 ARG A 34 15.191 8.524 1.266 1.00 5.12 N ATOM 0 H ARG A 34 10.127 3.440 0.877 1.00 1.04 H new ATOM 0 HA ARG A 34 9.058 6.114 0.335 1.00 1.17 H new ATOM 0 HB2 ARG A 34 11.837 5.014 0.810 1.00 1.83 H new ATOM 0 HB3 ARG A 34 11.602 6.595 0.091 1.00 1.83 H new ATOM 0 HG2 ARG A 34 10.349 7.346 2.066 1.00 2.51 H new ATOM 0 HG3 ARG A 34 10.462 5.748 2.777 1.00 2.51 H new ATOM 0 HD2 ARG A 34 12.137 7.453 3.623 1.00 3.05 H new ATOM 0 HD3 ARG A 34 12.804 5.920 3.098 1.00 3.05 H new ATOM 0 HE ARG A 34 12.879 7.714 0.877 1.00 3.66 H new ATOM 0 HH11 ARG A 34 14.114 7.685 4.161 1.00 4.48 H new ATOM 0 HH12 ARG A 34 15.708 8.298 3.709 1.00 4.48 H new ATOM 0 HH21 ARG A 34 14.852 8.649 0.312 1.00 5.12 H new ATOM 0 HH22 ARG A 34 16.125 8.845 1.522 1.00 5.12 H new ATOM 573 N ASN A 35 9.953 4.030 -1.875 1.00 0.98 N ATOM 574 CA ASN A 35 10.132 3.789 -3.305 1.00 1.38 C ATOM 575 C ASN A 35 8.811 3.790 -4.060 1.00 1.09 C ATOM 576 O ASN A 35 8.656 4.546 -5.008 1.00 1.24 O ATOM 577 CB ASN A 35 10.860 2.456 -3.564 1.00 2.08 C ATOM 578 CG ASN A 35 12.286 2.436 -3.028 1.00 2.84 C ATOM 579 OD1 ASN A 35 12.517 2.372 -1.819 1.00 3.26 O ATOM 580 ND2 ASN A 35 13.252 2.510 -3.928 1.00 3.64 N ATOM 0 H ASN A 35 9.784 3.190 -1.321 1.00 0.98 H new ATOM 0 HA ASN A 35 10.742 4.613 -3.675 1.00 1.38 H new ATOM 0 HB2 ASN A 35 10.295 1.646 -3.104 1.00 2.08 H new ATOM 0 HB3 ASN A 35 10.879 2.263 -4.637 1.00 2.08 H new ATOM 0 HD21 ASN A 35 14.227 2.515 -3.630 1.00 3.64 H new ATOM 0 HD22 ASN A 35 13.022 2.562 -4.920 1.00 3.64 H new ATOM 587 N LYS A 36 7.873 2.949 -3.639 1.00 0.89 N ATOM 588 CA LYS A 36 6.580 2.852 -4.305 1.00 0.69 C ATOM 589 C LYS A 36 5.658 1.971 -3.496 1.00 0.66 C ATOM 590 O LYS A 36 6.053 1.448 -2.447 1.00 0.77 O ATOM 591 CB LYS A 36 6.756 2.305 -5.728 1.00 0.80 C ATOM 592 CG LYS A 36 7.333 0.904 -5.805 1.00 1.05 C ATOM 593 CD LYS A 36 7.475 0.425 -7.256 1.00 1.32 C ATOM 594 CE LYS A 36 8.115 -0.949 -7.317 1.00 1.84 C ATOM 595 NZ LYS A 36 8.254 -1.459 -8.717 1.00 2.23 N ATOM 0 H LYS A 36 7.984 2.325 -2.840 1.00 0.89 H new ATOM 0 HA LYS A 36 6.135 3.844 -4.379 1.00 0.69 H new ATOM 0 HB2 LYS A 36 5.787 2.311 -6.227 1.00 0.80 H new ATOM 0 HB3 LYS A 36 7.405 2.981 -6.284 1.00 0.80 H new ATOM 0 HG2 LYS A 36 8.308 0.885 -5.319 1.00 1.05 H new ATOM 0 HG3 LYS A 36 6.690 0.216 -5.256 1.00 1.05 H new ATOM 0 HD2 LYS A 36 6.494 0.394 -7.730 1.00 1.32 H new ATOM 0 HD3 LYS A 36 8.079 1.136 -7.820 1.00 1.32 H new ATOM 0 HE2 LYS A 36 9.099 -0.908 -6.850 1.00 1.84 H new ATOM 0 HE3 LYS A 36 7.516 -1.651 -6.737 1.00 1.84 H new ATOM 0 HZ1 LYS A 36 8.696 -2.400 -8.701 1.00 2.23 H new ATOM 0 HZ2 LYS A 36 7.314 -1.526 -9.157 1.00 2.23 H new ATOM 0 HZ3 LYS A 36 8.848 -0.806 -9.267 1.00 2.23 H new ATOM 609 N ILE A 37 4.439 1.786 -3.994 1.00 0.61 N ATOM 610 CA ILE A 37 3.442 0.959 -3.329 1.00 0.60 C ATOM 611 C ILE A 37 3.309 -0.373 -4.052 1.00 0.54 C ATOM 612 O ILE A 37 2.814 -0.431 -5.178 1.00 0.75 O ATOM 613 CB ILE A 37 2.047 1.620 -3.302 1.00 0.73 C ATOM 614 CG1 ILE A 37 2.119 3.055 -2.765 1.00 0.85 C ATOM 615 CG2 ILE A 37 1.092 0.772 -2.468 1.00 0.79 C ATOM 616 CD1 ILE A 37 0.778 3.775 -2.775 1.00 1.01 C ATOM 0 H ILE A 37 4.117 2.204 -4.867 1.00 0.61 H new ATOM 0 HA ILE A 37 3.785 0.824 -2.303 1.00 0.60 H new ATOM 0 HB ILE A 37 1.670 1.676 -4.323 1.00 0.73 H new ATOM 0 HG12 ILE A 37 2.504 3.034 -1.745 1.00 0.85 H new ATOM 0 HG13 ILE A 37 2.832 3.623 -3.363 1.00 0.85 H new ATOM 0 HG21 ILE A 37 0.109 1.242 -2.451 1.00 0.79 H new ATOM 0 HG22 ILE A 37 1.012 -0.223 -2.906 1.00 0.79 H new ATOM 0 HG23 ILE A 37 1.472 0.690 -1.450 1.00 0.79 H new ATOM 0 HD11 ILE A 37 0.904 4.784 -2.382 1.00 1.01 H new ATOM 0 HD12 ILE A 37 0.401 3.828 -3.796 1.00 1.01 H new ATOM 0 HD13 ILE A 37 0.068 3.230 -2.154 1.00 1.01 H new ATOM 628 N MET A 38 3.736 -1.442 -3.401 1.00 0.51 N ATOM 629 CA MET A 38 3.636 -2.778 -3.989 1.00 0.59 C ATOM 630 C MET A 38 2.621 -3.601 -3.227 1.00 0.60 C ATOM 631 O MET A 38 2.831 -3.920 -2.066 1.00 0.98 O ATOM 632 CB MET A 38 4.992 -3.509 -3.971 1.00 0.75 C ATOM 633 CG MET A 38 6.115 -2.759 -4.671 1.00 1.40 C ATOM 634 SD MET A 38 7.684 -3.644 -4.706 1.00 1.72 S ATOM 635 CE MET A 38 7.228 -5.007 -5.756 1.00 2.53 C ATOM 0 H MET A 38 4.154 -1.417 -2.471 1.00 0.51 H new ATOM 0 HA MET A 38 3.322 -2.659 -5.026 1.00 0.59 H new ATOM 0 HB2 MET A 38 5.281 -3.689 -2.936 1.00 0.75 H new ATOM 0 HB3 MET A 38 4.872 -4.484 -4.443 1.00 0.75 H new ATOM 0 HG2 MET A 38 5.810 -2.543 -5.695 1.00 1.40 H new ATOM 0 HG3 MET A 38 6.262 -1.801 -4.173 1.00 1.40 H new ATOM 0 HE1 MET A 38 8.127 -5.469 -6.163 1.00 2.53 H new ATOM 0 HE2 MET A 38 6.672 -5.743 -5.176 1.00 2.53 H new ATOM 0 HE3 MET A 38 6.605 -4.644 -6.573 1.00 2.53 H new ATOM 645 N PHE A 39 1.535 -3.960 -3.873 1.00 0.61 N ATOM 646 CA PHE A 39 0.517 -4.770 -3.229 1.00 0.71 C ATOM 647 C PHE A 39 0.313 -6.058 -4.016 1.00 0.72 C ATOM 648 O PHE A 39 -0.215 -6.058 -5.123 1.00 1.08 O ATOM 649 CB PHE A 39 -0.798 -4.003 -3.004 1.00 1.11 C ATOM 650 CG PHE A 39 -1.473 -3.421 -4.220 1.00 0.58 C ATOM 651 CD1 PHE A 39 -0.875 -2.445 -4.988 1.00 1.31 C ATOM 652 CD2 PHE A 39 -2.728 -3.864 -4.582 1.00 1.32 C ATOM 653 CE1 PHE A 39 -1.520 -1.928 -6.094 1.00 1.69 C ATOM 654 CE2 PHE A 39 -3.377 -3.351 -5.680 1.00 1.66 C ATOM 655 CZ PHE A 39 -2.773 -2.379 -6.437 1.00 1.57 C ATOM 0 H PHE A 39 1.331 -3.707 -4.840 1.00 0.61 H new ATOM 0 HA PHE A 39 0.869 -5.029 -2.230 1.00 0.71 H new ATOM 0 HB2 PHE A 39 -1.503 -4.677 -2.516 1.00 1.11 H new ATOM 0 HB3 PHE A 39 -0.599 -3.190 -2.306 1.00 1.11 H new ATOM 0 HD1 PHE A 39 0.107 -2.081 -4.722 1.00 1.31 H new ATOM 0 HD2 PHE A 39 -3.210 -4.629 -3.991 1.00 1.32 H new ATOM 0 HE1 PHE A 39 -1.039 -1.167 -6.691 1.00 1.69 H new ATOM 0 HE2 PHE A 39 -4.359 -3.712 -5.946 1.00 1.66 H new ATOM 0 HZ PHE A 39 -3.280 -1.970 -7.299 1.00 1.57 H new ATOM 665 N THR A 40 0.797 -7.155 -3.447 1.00 0.63 N ATOM 666 CA THR A 40 0.730 -8.454 -4.096 1.00 0.74 C ATOM 667 C THR A 40 -0.705 -8.938 -4.247 1.00 0.84 C ATOM 668 O THR A 40 -1.558 -8.707 -3.384 1.00 1.16 O ATOM 669 CB THR A 40 1.571 -9.458 -3.307 1.00 0.98 C ATOM 670 OG1 THR A 40 1.156 -9.503 -1.948 1.00 1.45 O ATOM 671 CG2 THR A 40 3.048 -9.128 -3.324 1.00 1.35 C ATOM 0 H THR A 40 1.243 -7.168 -2.530 1.00 0.63 H new ATOM 0 HA THR A 40 1.135 -8.359 -5.104 1.00 0.74 H new ATOM 0 HB THR A 40 1.418 -10.420 -3.796 1.00 0.98 H new ATOM 0 HG1 THR A 40 1.704 -10.152 -1.460 1.00 1.45 H new ATOM 0 HG21 THR A 40 3.594 -9.875 -2.748 1.00 1.35 H new ATOM 0 HG22 THR A 40 3.409 -9.128 -4.353 1.00 1.35 H new ATOM 0 HG23 THR A 40 3.206 -8.143 -2.884 1.00 1.35 H new ATOM 679 N GLU A 41 -0.975 -9.583 -5.362 1.00 1.04 N ATOM 680 CA GLU A 41 -2.308 -10.067 -5.633 1.00 1.27 C ATOM 681 C GLU A 41 -2.670 -11.277 -4.781 1.00 1.20 C ATOM 682 O GLU A 41 -2.249 -12.395 -5.077 1.00 1.66 O ATOM 683 CB GLU A 41 -2.426 -10.439 -7.097 1.00 1.89 C ATOM 684 CG GLU A 41 -3.679 -9.905 -7.747 1.00 2.55 C ATOM 685 CD GLU A 41 -3.594 -8.424 -8.040 1.00 3.05 C ATOM 686 OE1 GLU A 41 -2.495 -7.844 -7.935 1.00 3.46 O ATOM 687 OE2 GLU A 41 -4.631 -7.839 -8.394 1.00 3.56 O ATOM 0 H GLU A 41 -0.291 -9.783 -6.092 1.00 1.04 H new ATOM 0 HA GLU A 41 -3.001 -9.264 -5.383 1.00 1.27 H new ATOM 0 HB2 GLU A 41 -1.556 -10.059 -7.633 1.00 1.89 H new ATOM 0 HB3 GLU A 41 -2.410 -11.525 -7.192 1.00 1.89 H new ATOM 0 HG2 GLU A 41 -3.861 -10.446 -8.676 1.00 2.55 H new ATOM 0 HG3 GLU A 41 -4.532 -10.095 -7.095 1.00 2.55 H new ATOM 694 N GLN A 42 -3.474 -11.062 -3.754 1.00 1.08 N ATOM 695 CA GLN A 42 -3.924 -12.154 -2.900 1.00 1.24 C ATOM 696 C GLN A 42 -5.348 -12.534 -3.291 1.00 1.37 C ATOM 697 O GLN A 42 -6.306 -12.246 -2.576 1.00 1.84 O ATOM 698 CB GLN A 42 -3.877 -11.762 -1.429 1.00 1.58 C ATOM 699 CG GLN A 42 -2.502 -11.846 -0.794 1.00 2.34 C ATOM 700 CD GLN A 42 -2.121 -13.270 -0.475 1.00 2.87 C ATOM 701 OE1 GLN A 42 -2.855 -13.982 0.198 1.00 3.26 O ATOM 702 NE2 GLN A 42 -0.979 -13.697 -0.957 1.00 3.46 N ATOM 0 H GLN A 42 -3.830 -10.143 -3.489 1.00 1.08 H new ATOM 0 HA GLN A 42 -3.257 -13.005 -3.039 1.00 1.24 H new ATOM 0 HB2 GLN A 42 -4.248 -10.742 -1.327 1.00 1.58 H new ATOM 0 HB3 GLN A 42 -4.559 -12.406 -0.873 1.00 1.58 H new ATOM 0 HG2 GLN A 42 -1.763 -11.414 -1.468 1.00 2.34 H new ATOM 0 HG3 GLN A 42 -2.486 -11.252 0.120 1.00 2.34 H new ATOM 0 HE21 GLN A 42 -0.395 -13.073 -1.514 1.00 3.46 H new ATOM 0 HE22 GLN A 42 -0.674 -14.653 -0.775 1.00 3.46 H new ATOM 711 N ASP A 43 -5.481 -13.176 -4.438 1.00 1.32 N ATOM 712 CA ASP A 43 -6.782 -13.588 -4.956 1.00 1.60 C ATOM 713 C ASP A 43 -7.125 -14.993 -4.477 1.00 1.62 C ATOM 714 O ASP A 43 -7.397 -15.892 -5.273 1.00 1.97 O ATOM 715 CB ASP A 43 -6.718 -13.532 -6.475 1.00 2.08 C ATOM 716 CG ASP A 43 -8.069 -13.388 -7.154 1.00 2.50 C ATOM 717 OD1 ASP A 43 -8.977 -14.207 -6.912 1.00 2.96 O ATOM 718 OD2 ASP A 43 -8.214 -12.452 -7.961 1.00 2.87 O ATOM 0 H ASP A 43 -4.696 -13.428 -5.038 1.00 1.32 H new ATOM 0 HA ASP A 43 -7.564 -12.922 -4.592 1.00 1.60 H new ATOM 0 HB2 ASP A 43 -6.086 -12.694 -6.769 1.00 2.08 H new ATOM 0 HB3 ASP A 43 -6.236 -14.439 -6.840 1.00 2.08 H new ATOM 723 N ALA A 44 -7.083 -15.145 -3.145 1.00 1.87 N ATOM 724 CA ALA A 44 -7.368 -16.406 -2.445 1.00 2.28 C ATOM 725 C ALA A 44 -6.794 -16.364 -1.037 1.00 2.75 C ATOM 726 O ALA A 44 -6.323 -15.324 -0.586 1.00 3.39 O ATOM 727 CB ALA A 44 -6.767 -17.603 -3.155 1.00 2.82 C ATOM 0 H ALA A 44 -6.846 -14.381 -2.513 1.00 1.87 H new ATOM 0 HA ALA A 44 -8.453 -16.513 -2.424 1.00 2.28 H new ATOM 0 HB1 ALA A 44 -7.004 -18.511 -2.601 1.00 2.82 H new ATOM 0 HB2 ALA A 44 -7.179 -17.674 -4.161 1.00 2.82 H new ATOM 0 HB3 ALA A 44 -5.685 -17.486 -3.214 1.00 2.82 H new ATOM 733 N SER A 45 -6.805 -17.500 -0.363 1.00 3.20 N ATOM 734 CA SER A 45 -6.249 -17.597 0.970 1.00 4.25 C ATOM 735 C SER A 45 -5.079 -18.571 0.930 1.00 4.77 C ATOM 736 O SER A 45 -5.264 -19.748 0.636 1.00 5.30 O ATOM 737 CB SER A 45 -7.313 -18.062 1.960 1.00 4.93 C ATOM 738 OG SER A 45 -6.863 -17.921 3.293 1.00 5.22 O ATOM 0 H SER A 45 -7.196 -18.371 -0.721 1.00 3.20 H new ATOM 0 HA SER A 45 -5.900 -16.619 1.302 1.00 4.25 H new ATOM 0 HB2 SER A 45 -8.225 -17.483 1.817 1.00 4.93 H new ATOM 0 HB3 SER A 45 -7.564 -19.105 1.766 1.00 4.93 H new ATOM 0 HG SER A 45 -7.563 -18.224 3.908 1.00 5.22 H new ATOM 744 N THR A 46 -3.888 -18.035 1.183 1.00 5.00 N ATOM 745 CA THR A 46 -2.617 -18.782 1.162 1.00 5.82 C ATOM 746 C THR A 46 -2.372 -19.420 -0.207 1.00 5.62 C ATOM 747 O THR A 46 -3.020 -20.399 -0.582 1.00 5.88 O ATOM 748 CB THR A 46 -2.510 -19.838 2.285 1.00 6.59 C ATOM 749 OG1 THR A 46 -3.559 -20.797 2.228 1.00 6.31 O ATOM 750 CG2 THR A 46 -2.518 -19.229 3.671 1.00 7.39 C ATOM 0 H THR A 46 -3.769 -17.049 1.414 1.00 5.00 H new ATOM 0 HA THR A 46 -1.834 -18.048 1.352 1.00 5.82 H new ATOM 0 HB THR A 46 -1.550 -20.324 2.109 1.00 6.59 H new ATOM 0 HG1 THR A 46 -4.058 -20.687 1.392 1.00 6.31 H new ATOM 0 HG21 THR A 46 -2.440 -20.020 4.417 1.00 7.39 H new ATOM 0 HG22 THR A 46 -1.673 -18.549 3.774 1.00 7.39 H new ATOM 0 HG23 THR A 46 -3.447 -18.679 3.821 1.00 7.39 H new ATOM 758 N SER A 47 -1.429 -18.833 -0.941 1.00 5.54 N ATOM 759 CA SER A 47 -1.078 -19.291 -2.274 1.00 5.68 C ATOM 760 C SER A 47 -2.249 -19.070 -3.232 1.00 5.14 C ATOM 761 O SER A 47 -2.966 -20.001 -3.582 1.00 5.00 O ATOM 762 CB SER A 47 -0.665 -20.777 -2.246 1.00 6.41 C ATOM 763 OG SER A 47 -0.237 -21.213 -3.528 1.00 6.89 O ATOM 0 H SER A 47 -0.890 -18.027 -0.624 1.00 5.54 H new ATOM 0 HA SER A 47 -0.226 -18.711 -2.630 1.00 5.68 H new ATOM 0 HB2 SER A 47 0.138 -20.921 -1.523 1.00 6.41 H new ATOM 0 HB3 SER A 47 -1.506 -21.385 -1.914 1.00 6.41 H new ATOM 0 HG SER A 47 0.021 -22.157 -3.483 1.00 6.89 H new ATOM 769 N PRO A 48 -2.468 -17.811 -3.653 1.00 5.23 N ATOM 770 CA PRO A 48 -3.556 -17.460 -4.571 1.00 5.13 C ATOM 771 C PRO A 48 -3.252 -17.877 -6.009 1.00 4.48 C ATOM 772 O PRO A 48 -2.126 -17.722 -6.476 1.00 4.75 O ATOM 773 CB PRO A 48 -3.627 -15.930 -4.453 1.00 5.87 C ATOM 774 CG PRO A 48 -2.242 -15.516 -4.113 1.00 6.34 C ATOM 775 CD PRO A 48 -1.676 -16.629 -3.257 1.00 5.91 C ATOM 0 HA PRO A 48 -4.490 -17.965 -4.322 1.00 5.13 H new ATOM 0 HB2 PRO A 48 -3.959 -15.475 -5.386 1.00 5.87 H new ATOM 0 HB3 PRO A 48 -4.333 -15.624 -3.681 1.00 5.87 H new ATOM 0 HG2 PRO A 48 -1.645 -15.373 -5.013 1.00 6.34 H new ATOM 0 HG3 PRO A 48 -2.238 -14.568 -3.574 1.00 6.34 H new ATOM 0 HD2 PRO A 48 -0.613 -16.778 -3.445 1.00 5.91 H new ATOM 0 HD3 PRO A 48 -1.784 -16.412 -2.194 1.00 5.91 H new ATOM 783 N PRO A 49 -4.246 -18.423 -6.730 1.00 4.08 N ATOM 784 CA PRO A 49 -4.078 -18.871 -8.121 1.00 3.90 C ATOM 785 C PRO A 49 -3.947 -17.714 -9.101 1.00 3.66 C ATOM 786 O PRO A 49 -3.475 -17.878 -10.222 1.00 4.13 O ATOM 787 CB PRO A 49 -5.371 -19.636 -8.407 1.00 4.20 C ATOM 788 CG PRO A 49 -6.368 -19.020 -7.501 1.00 4.54 C ATOM 789 CD PRO A 49 -5.621 -18.661 -6.249 1.00 4.40 C ATOM 0 HA PRO A 49 -3.168 -19.459 -8.240 1.00 3.90 H new ATOM 0 HB2 PRO A 49 -5.668 -19.538 -9.451 1.00 4.20 H new ATOM 0 HB3 PRO A 49 -5.256 -20.701 -8.207 1.00 4.20 H new ATOM 0 HG2 PRO A 49 -6.815 -18.136 -7.956 1.00 4.54 H new ATOM 0 HG3 PRO A 49 -7.181 -19.714 -7.285 1.00 4.54 H new ATOM 0 HD2 PRO A 49 -6.039 -17.775 -5.771 1.00 4.40 H new ATOM 0 HD3 PRO A 49 -5.657 -19.466 -5.515 1.00 4.40 H new ATOM 797 N SER A 50 -4.388 -16.550 -8.678 1.00 3.25 N ATOM 798 CA SER A 50 -4.331 -15.362 -9.520 1.00 3.42 C ATOM 799 C SER A 50 -3.206 -14.436 -9.069 1.00 2.88 C ATOM 800 O SER A 50 -3.329 -13.211 -9.113 1.00 3.28 O ATOM 801 CB SER A 50 -5.667 -14.629 -9.460 1.00 4.28 C ATOM 802 OG SER A 50 -6.731 -15.497 -9.803 1.00 4.85 O ATOM 0 H SER A 50 -4.792 -16.394 -7.755 1.00 3.25 H new ATOM 0 HA SER A 50 -4.131 -15.669 -10.547 1.00 3.42 H new ATOM 0 HB2 SER A 50 -5.824 -14.232 -8.457 1.00 4.28 H new ATOM 0 HB3 SER A 50 -5.651 -13.778 -10.141 1.00 4.28 H new ATOM 0 HG SER A 50 -7.579 -15.009 -9.757 1.00 4.85 H new ATOM 808 N TYR A 51 -2.097 -15.025 -8.634 1.00 2.46 N ATOM 809 CA TYR A 51 -0.962 -14.234 -8.179 1.00 2.13 C ATOM 810 C TYR A 51 -0.011 -13.966 -9.350 1.00 2.52 C ATOM 811 O TYR A 51 1.181 -13.696 -9.178 1.00 3.20 O ATOM 812 CB TYR A 51 -0.243 -14.938 -7.019 1.00 2.21 C ATOM 813 CG TYR A 51 0.900 -14.139 -6.410 1.00 2.58 C ATOM 814 CD1 TYR A 51 0.799 -12.762 -6.219 1.00 3.33 C ATOM 815 CD2 TYR A 51 2.074 -14.771 -6.008 1.00 2.99 C ATOM 816 CE1 TYR A 51 1.842 -12.043 -5.649 1.00 4.15 C ATOM 817 CE2 TYR A 51 3.118 -14.063 -5.456 1.00 3.82 C ATOM 818 CZ TYR A 51 3.001 -12.695 -5.281 1.00 4.30 C ATOM 819 OH TYR A 51 4.028 -11.988 -4.695 1.00 5.34 O ATOM 0 H TYR A 51 -1.961 -16.035 -8.587 1.00 2.46 H new ATOM 0 HA TYR A 51 -1.321 -13.275 -7.806 1.00 2.13 H new ATOM 0 HB2 TYR A 51 -0.971 -15.161 -6.239 1.00 2.21 H new ATOM 0 HB3 TYR A 51 0.146 -15.892 -7.374 1.00 2.21 H new ATOM 0 HD1 TYR A 51 -0.102 -12.247 -6.518 1.00 3.33 H new ATOM 0 HD2 TYR A 51 2.168 -15.840 -6.132 1.00 2.99 H new ATOM 0 HE1 TYR A 51 1.746 -10.978 -5.495 1.00 4.15 H new ATOM 0 HE2 TYR A 51 4.023 -14.572 -5.161 1.00 3.82 H new ATOM 0 HH TYR A 51 4.771 -12.595 -4.496 1.00 5.34 H new ATOM 829 N THR A 52 -0.559 -14.012 -10.546 1.00 2.67 N ATOM 830 CA THR A 52 0.231 -13.743 -11.731 1.00 3.45 C ATOM 831 C THR A 52 0.314 -12.223 -11.907 1.00 3.24 C ATOM 832 O THR A 52 1.104 -11.695 -12.697 1.00 3.53 O ATOM 833 CB THR A 52 -0.387 -14.427 -12.957 1.00 4.25 C ATOM 834 OG1 THR A 52 -0.837 -15.737 -12.604 1.00 4.76 O ATOM 835 CG2 THR A 52 0.586 -14.576 -14.118 1.00 4.89 C ATOM 0 H THR A 52 -1.539 -14.231 -10.724 1.00 2.67 H new ATOM 0 HA THR A 52 1.237 -14.149 -11.622 1.00 3.45 H new ATOM 0 HB THR A 52 -1.208 -13.785 -13.277 1.00 4.25 H new ATOM 0 HG1 THR A 52 -1.233 -16.170 -13.389 1.00 4.76 H new ATOM 0 HG21 THR A 52 0.085 -15.067 -14.952 1.00 4.89 H new ATOM 0 HG22 THR A 52 0.932 -13.591 -14.432 1.00 4.89 H new ATOM 0 HG23 THR A 52 1.439 -15.177 -13.803 1.00 4.89 H new ATOM 843 N HIS A 53 -0.511 -11.532 -11.121 1.00 3.23 N ATOM 844 CA HIS A 53 -0.558 -10.075 -11.122 1.00 3.30 C ATOM 845 C HIS A 53 0.316 -9.497 -9.998 1.00 2.67 C ATOM 846 O HIS A 53 0.077 -9.742 -8.814 1.00 3.21 O ATOM 847 CB HIS A 53 -2.005 -9.579 -10.941 1.00 4.24 C ATOM 848 CG HIS A 53 -2.808 -9.491 -12.198 1.00 4.85 C ATOM 849 ND1 HIS A 53 -3.091 -10.572 -12.988 1.00 5.28 N ATOM 850 CD2 HIS A 53 -3.403 -8.430 -12.794 1.00 5.52 C ATOM 851 CE1 HIS A 53 -3.821 -10.186 -14.023 1.00 6.09 C ATOM 852 NE2 HIS A 53 -4.023 -8.891 -13.926 1.00 6.21 N ATOM 0 H HIS A 53 -1.163 -11.967 -10.468 1.00 3.23 H new ATOM 0 HA HIS A 53 -0.175 -9.734 -12.084 1.00 3.30 H new ATOM 0 HB2 HIS A 53 -2.517 -10.246 -10.247 1.00 4.24 H new ATOM 0 HB3 HIS A 53 -1.979 -8.594 -10.475 1.00 4.24 H new ATOM 0 HD2 HIS A 53 -3.391 -7.409 -12.442 1.00 5.52 H new ATOM 0 HE1 HIS A 53 -4.188 -10.826 -14.812 1.00 6.09 H new ATOM 0 HE2 HIS A 53 -4.554 -8.322 -14.585 1.00 6.21 H new ATOM 861 N TYR A 54 1.312 -8.720 -10.371 1.00 2.10 N ATOM 862 CA TYR A 54 2.175 -8.088 -9.394 1.00 2.00 C ATOM 863 C TYR A 54 1.860 -6.606 -9.344 1.00 1.62 C ATOM 864 O TYR A 54 2.635 -5.779 -9.830 1.00 1.96 O ATOM 865 CB TYR A 54 3.646 -8.292 -9.723 1.00 2.78 C ATOM 866 CG TYR A 54 4.184 -9.630 -9.289 1.00 3.45 C ATOM 867 CD1 TYR A 54 3.740 -10.814 -9.862 1.00 3.89 C ATOM 868 CD2 TYR A 54 5.128 -9.703 -8.278 1.00 4.24 C ATOM 869 CE1 TYR A 54 4.225 -12.035 -9.436 1.00 4.87 C ATOM 870 CE2 TYR A 54 5.626 -10.914 -7.854 1.00 5.15 C ATOM 871 CZ TYR A 54 5.172 -12.079 -8.436 1.00 5.40 C ATOM 872 OH TYR A 54 5.654 -13.289 -8.001 1.00 6.50 O ATOM 0 H TYR A 54 1.544 -8.511 -11.342 1.00 2.10 H new ATOM 0 HA TYR A 54 1.990 -8.549 -8.424 1.00 2.00 H new ATOM 0 HB2 TYR A 54 3.787 -8.185 -10.799 1.00 2.78 H new ATOM 0 HB3 TYR A 54 4.229 -7.504 -9.246 1.00 2.78 H new ATOM 0 HD1 TYR A 54 3.005 -10.780 -10.652 1.00 3.89 H new ATOM 0 HD2 TYR A 54 5.480 -8.793 -7.814 1.00 4.24 H new ATOM 0 HE1 TYR A 54 3.864 -12.949 -9.884 1.00 4.87 H new ATOM 0 HE2 TYR A 54 6.368 -10.952 -7.070 1.00 5.15 H new ATOM 0 HH TYR A 54 5.061 -13.647 -7.308 1.00 6.50 H new ATOM 882 N SER A 55 0.705 -6.281 -8.769 1.00 1.34 N ATOM 883 CA SER A 55 0.248 -4.903 -8.663 1.00 1.50 C ATOM 884 C SER A 55 1.267 -4.021 -7.938 1.00 1.20 C ATOM 885 O SER A 55 1.574 -4.218 -6.763 1.00 1.33 O ATOM 886 CB SER A 55 -1.109 -4.859 -7.958 1.00 2.13 C ATOM 887 OG SER A 55 -2.115 -5.453 -8.758 1.00 2.61 O ATOM 0 H SER A 55 0.064 -6.964 -8.366 1.00 1.34 H new ATOM 0 HA SER A 55 0.139 -4.503 -9.671 1.00 1.50 H new ATOM 0 HB2 SER A 55 -1.044 -5.380 -7.003 1.00 2.13 H new ATOM 0 HB3 SER A 55 -1.376 -3.825 -7.739 1.00 2.13 H new ATOM 0 HG SER A 55 -2.552 -6.171 -8.254 1.00 2.61 H new ATOM 893 N SER A 56 1.790 -3.051 -8.662 1.00 1.07 N ATOM 894 CA SER A 56 2.771 -2.127 -8.122 1.00 0.91 C ATOM 895 C SER A 56 2.508 -0.710 -8.631 1.00 0.80 C ATOM 896 O SER A 56 2.614 -0.431 -9.822 1.00 0.93 O ATOM 897 CB SER A 56 4.189 -2.582 -8.487 1.00 1.09 C ATOM 898 OG SER A 56 4.461 -3.896 -8.007 1.00 1.73 O ATOM 0 H SER A 56 1.549 -2.880 -9.638 1.00 1.07 H new ATOM 0 HA SER A 56 2.682 -2.120 -7.036 1.00 0.91 H new ATOM 0 HB2 SER A 56 4.312 -2.558 -9.570 1.00 1.09 H new ATOM 0 HB3 SER A 56 4.914 -1.884 -8.068 1.00 1.09 H new ATOM 0 HG SER A 56 3.946 -4.547 -8.527 1.00 1.73 H new ATOM 904 N ILE A 57 2.168 0.174 -7.707 1.00 0.68 N ATOM 905 CA ILE A 57 1.877 1.576 -8.001 1.00 0.67 C ATOM 906 C ILE A 57 3.038 2.442 -7.486 1.00 0.63 C ATOM 907 O ILE A 57 3.746 2.033 -6.572 1.00 0.81 O ATOM 908 CB ILE A 57 0.531 1.980 -7.328 1.00 0.76 C ATOM 909 CG1 ILE A 57 -0.647 1.471 -8.157 1.00 0.92 C ATOM 910 CG2 ILE A 57 0.420 3.478 -7.099 1.00 0.82 C ATOM 911 CD1 ILE A 57 -1.996 1.997 -7.705 1.00 0.81 C ATOM 0 H ILE A 57 2.084 -0.061 -6.718 1.00 0.68 H new ATOM 0 HA ILE A 57 1.777 1.728 -9.076 1.00 0.67 H new ATOM 0 HB ILE A 57 0.507 1.510 -6.345 1.00 0.76 H new ATOM 0 HG12 ILE A 57 -0.491 1.750 -9.199 1.00 0.92 H new ATOM 0 HG13 ILE A 57 -0.662 0.382 -8.117 1.00 0.92 H new ATOM 0 HG21 ILE A 57 -0.537 3.704 -6.628 1.00 0.82 H new ATOM 0 HG22 ILE A 57 1.231 3.808 -6.450 1.00 0.82 H new ATOM 0 HG23 ILE A 57 0.486 3.998 -8.055 1.00 0.82 H new ATOM 0 HD11 ILE A 57 -2.779 1.589 -8.344 1.00 0.81 H new ATOM 0 HD12 ILE A 57 -2.177 1.696 -6.673 1.00 0.81 H new ATOM 0 HD13 ILE A 57 -2.003 3.085 -7.772 1.00 0.81 H new ATOM 923 N ARG A 58 3.234 3.642 -8.025 1.00 0.66 N ATOM 924 CA ARG A 58 4.293 4.517 -7.547 1.00 0.73 C ATOM 925 C ARG A 58 3.669 5.591 -6.676 1.00 0.75 C ATOM 926 O ARG A 58 2.465 5.829 -6.757 1.00 0.91 O ATOM 927 CB ARG A 58 5.084 5.166 -8.699 1.00 0.96 C ATOM 928 CG ARG A 58 4.349 6.253 -9.472 1.00 1.24 C ATOM 929 CD ARG A 58 3.254 5.706 -10.376 1.00 1.86 C ATOM 930 NE ARG A 58 2.605 6.779 -11.124 1.00 2.47 N ATOM 931 CZ ARG A 58 1.647 6.596 -12.032 1.00 2.95 C ATOM 932 NH1 ARG A 58 1.485 5.397 -12.583 1.00 3.22 N ATOM 933 NH2 ARG A 58 1.098 7.657 -12.620 1.00 3.70 N ATOM 0 H ARG A 58 2.676 4.026 -8.788 1.00 0.66 H new ATOM 0 HA ARG A 58 5.003 3.918 -6.977 1.00 0.73 H new ATOM 0 HB2 ARG A 58 6.001 5.592 -8.291 1.00 0.96 H new ATOM 0 HB3 ARG A 58 5.379 4.384 -9.399 1.00 0.96 H new ATOM 0 HG2 ARG A 58 3.911 6.959 -8.767 1.00 1.24 H new ATOM 0 HG3 ARG A 58 5.066 6.809 -10.076 1.00 1.24 H new ATOM 0 HD2 ARG A 58 3.679 4.981 -11.070 1.00 1.86 H new ATOM 0 HD3 ARG A 58 2.513 5.177 -9.776 1.00 1.86 H new ATOM 0 HE ARG A 58 2.906 7.736 -10.938 1.00 2.47 H new ATOM 0 HH11 ARG A 58 2.092 4.624 -12.310 1.00 3.22 H new ATOM 0 HH12 ARG A 58 0.754 5.250 -13.279 1.00 3.22 H new ATOM 0 HH21 ARG A 58 1.412 8.596 -12.374 1.00 3.70 H new ATOM 0 HH22 ARG A 58 0.364 7.531 -13.317 1.00 3.70 H new ATOM 947 N LEU A 59 4.477 6.269 -5.883 1.00 0.85 N ATOM 948 CA LEU A 59 3.999 7.339 -5.041 1.00 1.02 C ATOM 949 C LEU A 59 3.746 8.560 -5.903 1.00 1.15 C ATOM 950 O LEU A 59 2.650 9.093 -5.929 1.00 1.59 O ATOM 951 CB LEU A 59 5.033 7.625 -3.982 1.00 1.28 C ATOM 952 CG LEU A 59 4.668 7.133 -2.604 1.00 1.35 C ATOM 953 CD1 LEU A 59 3.409 7.833 -2.096 1.00 1.79 C ATOM 954 CD2 LEU A 59 4.497 5.624 -2.601 1.00 1.35 C ATOM 0 H LEU A 59 5.479 6.091 -5.807 1.00 0.85 H new ATOM 0 HA LEU A 59 3.067 7.061 -4.548 1.00 1.02 H new ATOM 0 HB2 LEU A 59 5.976 7.167 -4.280 1.00 1.28 H new ATOM 0 HB3 LEU A 59 5.201 8.701 -3.937 1.00 1.28 H new ATOM 0 HG LEU A 59 5.484 7.379 -1.924 1.00 1.35 H new ATOM 0 HD11 LEU A 59 3.164 7.463 -1.100 1.00 1.79 H new ATOM 0 HD12 LEU A 59 3.583 8.908 -2.051 1.00 1.79 H new ATOM 0 HD13 LEU A 59 2.580 7.628 -2.774 1.00 1.79 H new ATOM 0 HD21 LEU A 59 4.234 5.290 -1.597 1.00 1.35 H new ATOM 0 HD22 LEU A 59 3.704 5.346 -3.296 1.00 1.35 H new ATOM 0 HD23 LEU A 59 5.430 5.151 -2.908 1.00 1.35 H new ATOM 966 N ASP A 60 4.818 9.008 -6.554 1.00 1.13 N ATOM 967 CA ASP A 60 4.841 10.179 -7.423 1.00 1.33 C ATOM 968 C ASP A 60 3.462 10.674 -7.841 1.00 1.33 C ATOM 969 O ASP A 60 2.913 11.596 -7.236 1.00 1.56 O ATOM 970 CB ASP A 60 5.718 9.868 -8.647 1.00 1.46 C ATOM 971 CG ASP A 60 5.900 11.051 -9.579 1.00 1.90 C ATOM 972 OD1 ASP A 60 6.260 12.144 -9.097 1.00 2.52 O ATOM 973 OD2 ASP A 60 5.730 10.879 -10.800 1.00 2.27 O ATOM 0 H ASP A 60 5.726 8.548 -6.487 1.00 1.13 H new ATOM 0 HA ASP A 60 5.265 11.002 -6.849 1.00 1.33 H new ATOM 0 HB2 ASP A 60 6.697 9.531 -8.306 1.00 1.46 H new ATOM 0 HB3 ASP A 60 5.272 9.043 -9.203 1.00 1.46 H new ATOM 978 N LYS A 61 2.943 10.126 -8.923 1.00 1.22 N ATOM 979 CA LYS A 61 1.669 10.602 -9.471 1.00 1.28 C ATOM 980 C LYS A 61 0.450 9.713 -9.207 1.00 1.06 C ATOM 981 O LYS A 61 -0.095 9.107 -10.134 1.00 1.27 O ATOM 982 CB LYS A 61 1.789 10.860 -10.975 1.00 1.60 C ATOM 983 CG LYS A 61 2.166 12.298 -11.320 1.00 1.93 C ATOM 984 CD LYS A 61 3.396 12.760 -10.559 1.00 2.55 C ATOM 985 CE LYS A 61 3.955 14.052 -11.101 1.00 3.16 C ATOM 986 NZ LYS A 61 5.284 14.378 -10.495 1.00 3.92 N ATOM 0 H LYS A 61 3.371 9.359 -9.441 1.00 1.22 H new ATOM 0 HA LYS A 61 1.479 11.525 -8.924 1.00 1.28 H new ATOM 0 HB2 LYS A 61 2.538 10.187 -11.392 1.00 1.60 H new ATOM 0 HB3 LYS A 61 0.840 10.617 -11.454 1.00 1.60 H new ATOM 0 HG2 LYS A 61 2.351 12.378 -12.391 1.00 1.93 H new ATOM 0 HG3 LYS A 61 1.329 12.957 -11.091 1.00 1.93 H new ATOM 0 HD2 LYS A 61 3.142 12.890 -9.507 1.00 2.55 H new ATOM 0 HD3 LYS A 61 4.162 11.986 -10.608 1.00 2.55 H new ATOM 0 HE2 LYS A 61 4.057 13.978 -12.184 1.00 3.16 H new ATOM 0 HE3 LYS A 61 3.255 14.863 -10.901 1.00 3.16 H new ATOM 0 HZ1 LYS A 61 5.173 15.155 -9.813 1.00 3.92 H new ATOM 0 HZ2 LYS A 61 5.658 13.539 -10.007 1.00 3.92 H new ATOM 0 HZ3 LYS A 61 5.946 14.666 -11.244 1.00 3.92 H new ATOM 1000 N TYR A 62 -0.028 9.718 -7.972 1.00 0.83 N ATOM 1001 CA TYR A 62 -1.254 9.003 -7.617 1.00 0.69 C ATOM 1002 C TYR A 62 -2.051 9.866 -6.647 1.00 0.67 C ATOM 1003 O TYR A 62 -1.487 10.535 -5.780 1.00 0.83 O ATOM 1004 CB TYR A 62 -0.992 7.597 -7.017 1.00 0.70 C ATOM 1005 CG TYR A 62 -0.824 7.548 -5.507 1.00 0.74 C ATOM 1006 CD1 TYR A 62 0.283 8.099 -4.906 1.00 1.49 C ATOM 1007 CD2 TYR A 62 -1.781 6.942 -4.687 1.00 1.46 C ATOM 1008 CE1 TYR A 62 0.453 8.062 -3.537 1.00 1.84 C ATOM 1009 CE2 TYR A 62 -1.619 6.899 -3.309 1.00 1.79 C ATOM 1010 CZ TYR A 62 -0.498 7.463 -2.742 1.00 1.66 C ATOM 1011 OH TYR A 62 -0.319 7.431 -1.377 1.00 2.21 O ATOM 0 H TYR A 62 0.412 10.209 -7.194 1.00 0.83 H new ATOM 0 HA TYR A 62 -1.821 8.829 -8.532 1.00 0.69 H new ATOM 0 HB2 TYR A 62 -1.819 6.944 -7.294 1.00 0.70 H new ATOM 0 HB3 TYR A 62 -0.094 7.187 -7.478 1.00 0.70 H new ATOM 0 HD1 TYR A 62 1.036 8.571 -5.519 1.00 1.49 H new ATOM 0 HD2 TYR A 62 -2.660 6.500 -5.133 1.00 1.46 H new ATOM 0 HE1 TYR A 62 1.332 8.503 -3.090 1.00 1.84 H new ATOM 0 HE2 TYR A 62 -2.366 6.427 -2.687 1.00 1.79 H new ATOM 0 HH TYR A 62 -1.078 6.975 -0.958 1.00 2.21 H new ATOM 1021 N ASN A 63 -3.354 9.869 -6.783 1.00 0.64 N ATOM 1022 CA ASN A 63 -4.182 10.665 -5.892 1.00 0.73 C ATOM 1023 C ASN A 63 -4.737 9.797 -4.771 1.00 0.64 C ATOM 1024 O ASN A 63 -5.593 8.953 -4.993 1.00 0.73 O ATOM 1025 CB ASN A 63 -5.306 11.361 -6.650 1.00 0.89 C ATOM 1026 CG ASN A 63 -6.213 12.178 -5.735 1.00 1.49 C ATOM 1027 OD1 ASN A 63 -5.747 12.857 -4.816 1.00 2.15 O ATOM 1028 ND2 ASN A 63 -7.513 12.160 -6.006 1.00 2.13 N ATOM 0 H ASN A 63 -3.865 9.339 -7.490 1.00 0.64 H new ATOM 0 HA ASN A 63 -3.556 11.442 -5.452 1.00 0.73 H new ATOM 0 HB2 ASN A 63 -4.877 12.016 -7.408 1.00 0.89 H new ATOM 0 HB3 ASN A 63 -5.903 10.614 -7.174 1.00 0.89 H new ATOM 0 HD21 ASN A 63 -8.158 12.718 -5.447 1.00 2.13 H new ATOM 0 HD22 ASN A 63 -7.866 11.588 -6.773 1.00 2.13 H new ATOM 1035 N ILE A 64 -4.239 10.011 -3.570 1.00 0.74 N ATOM 1036 CA ILE A 64 -4.685 9.238 -2.415 1.00 0.70 C ATOM 1037 C ILE A 64 -5.746 10.006 -1.649 1.00 0.79 C ATOM 1038 O ILE A 64 -5.590 11.198 -1.395 1.00 1.00 O ATOM 1039 CB ILE A 64 -3.507 8.851 -1.470 1.00 0.76 C ATOM 1040 CG1 ILE A 64 -3.981 7.872 -0.393 1.00 0.80 C ATOM 1041 CG2 ILE A 64 -2.846 10.075 -0.827 1.00 0.91 C ATOM 1042 CD1 ILE A 64 -4.277 6.482 -0.930 1.00 1.18 C ATOM 0 H ILE A 64 -3.527 10.711 -3.362 1.00 0.74 H new ATOM 0 HA ILE A 64 -5.112 8.309 -2.792 1.00 0.70 H new ATOM 0 HB ILE A 64 -2.751 8.365 -2.087 1.00 0.76 H new ATOM 0 HG12 ILE A 64 -3.218 7.799 0.382 1.00 0.80 H new ATOM 0 HG13 ILE A 64 -4.879 8.270 0.079 1.00 0.80 H new ATOM 0 HG21 ILE A 64 -2.032 9.750 -0.179 1.00 0.91 H new ATOM 0 HG22 ILE A 64 -2.451 10.727 -1.606 1.00 0.91 H new ATOM 0 HG23 ILE A 64 -3.584 10.620 -0.238 1.00 0.91 H new ATOM 0 HD11 ILE A 64 -4.608 5.840 -0.114 1.00 1.18 H new ATOM 0 HD12 ILE A 64 -5.061 6.543 -1.685 1.00 1.18 H new ATOM 0 HD13 ILE A 64 -3.375 6.065 -1.377 1.00 1.18 H new ATOM 1054 N ARG A 65 -6.838 9.340 -1.320 1.00 0.69 N ATOM 1055 CA ARG A 65 -7.919 9.994 -0.607 1.00 0.80 C ATOM 1056 C ARG A 65 -8.434 9.101 0.516 1.00 0.68 C ATOM 1057 O ARG A 65 -7.711 8.248 1.021 1.00 0.71 O ATOM 1058 CB ARG A 65 -9.063 10.307 -1.578 1.00 0.97 C ATOM 1059 CG ARG A 65 -8.683 11.227 -2.722 1.00 1.24 C ATOM 1060 CD ARG A 65 -8.327 12.616 -2.201 1.00 1.78 C ATOM 1061 NE ARG A 65 -9.469 13.281 -1.572 1.00 2.20 N ATOM 1062 CZ ARG A 65 -10.565 13.662 -2.225 1.00 2.86 C ATOM 1063 NH1 ARG A 65 -10.548 13.763 -3.542 1.00 3.32 N ATOM 1064 NH2 ARG A 65 -11.553 14.219 -1.559 1.00 3.57 N ATOM 0 H ARG A 65 -6.999 8.356 -1.533 1.00 0.69 H new ATOM 0 HA ARG A 65 -7.542 10.921 -0.175 1.00 0.80 H new ATOM 0 HB2 ARG A 65 -9.439 9.371 -1.991 1.00 0.97 H new ATOM 0 HB3 ARG A 65 -9.882 10.761 -1.020 1.00 0.97 H new ATOM 0 HG2 ARG A 65 -7.836 10.809 -3.266 1.00 1.24 H new ATOM 0 HG3 ARG A 65 -9.511 11.299 -3.428 1.00 1.24 H new ATOM 0 HD2 ARG A 65 -7.514 12.534 -1.479 1.00 1.78 H new ATOM 0 HD3 ARG A 65 -7.961 13.228 -3.025 1.00 1.78 H new ATOM 0 HE ARG A 65 -9.422 13.464 -0.570 1.00 2.20 H new ATOM 0 HH11 ARG A 65 -9.695 13.549 -4.059 1.00 3.32 H new ATOM 0 HH12 ARG A 65 -11.388 14.055 -4.042 1.00 3.32 H new ATOM 0 HH21 ARG A 65 -11.475 14.356 -0.551 1.00 3.57 H new ATOM 0 HH22 ARG A 65 -12.397 14.514 -2.050 1.00 3.57 H new ATOM 1078 N GLN A 66 -9.690 9.298 0.902 1.00 0.82 N ATOM 1079 CA GLN A 66 -10.317 8.484 1.934 1.00 0.83 C ATOM 1080 C GLN A 66 -11.837 8.599 1.866 1.00 0.99 C ATOM 1081 O GLN A 66 -12.374 9.586 1.362 1.00 1.30 O ATOM 1082 CB GLN A 66 -9.809 8.894 3.317 1.00 0.97 C ATOM 1083 CG GLN A 66 -9.942 10.381 3.598 1.00 1.30 C ATOM 1084 CD GLN A 66 -9.376 10.745 4.954 1.00 1.66 C ATOM 1085 OE1 GLN A 66 -8.185 10.556 5.215 1.00 2.14 O ATOM 1086 NE2 GLN A 66 -10.230 11.243 5.828 1.00 2.45 N ATOM 0 H GLN A 66 -10.296 10.020 0.512 1.00 0.82 H new ATOM 0 HA GLN A 66 -10.048 7.442 1.760 1.00 0.83 H new ATOM 0 HB2 GLN A 66 -10.360 8.339 4.076 1.00 0.97 H new ATOM 0 HB3 GLN A 66 -8.761 8.608 3.410 1.00 0.97 H new ATOM 0 HG2 GLN A 66 -9.424 10.946 2.823 1.00 1.30 H new ATOM 0 HG3 GLN A 66 -10.993 10.668 3.553 1.00 1.30 H new ATOM 0 HE21 GLN A 66 -11.206 11.381 5.566 1.00 2.45 H new ATOM 0 HE22 GLN A 66 -9.914 11.490 6.766 1.00 2.45 H new ATOM 1095 N HIS A 67 -12.525 7.569 2.335 1.00 0.94 N ATOM 1096 CA HIS A 67 -13.988 7.544 2.302 1.00 1.14 C ATOM 1097 C HIS A 67 -14.583 6.945 3.566 1.00 1.30 C ATOM 1098 O HIS A 67 -13.847 6.692 4.526 1.00 1.32 O ATOM 1099 CB HIS A 67 -14.462 6.742 1.095 1.00 1.28 C ATOM 1100 CG HIS A 67 -14.508 7.517 -0.184 1.00 1.31 C ATOM 1101 ND1 HIS A 67 -15.194 8.700 -0.323 1.00 1.60 N ATOM 1102 CD2 HIS A 67 -13.962 7.266 -1.397 1.00 1.36 C ATOM 1103 CE1 HIS A 67 -15.075 9.136 -1.566 1.00 1.79 C ATOM 1104 NE2 HIS A 67 -14.332 8.292 -2.238 1.00 1.61 N ATOM 0 H HIS A 67 -12.098 6.738 2.744 1.00 0.94 H new ATOM 0 HA HIS A 67 -14.328 8.577 2.231 1.00 1.14 H new ATOM 0 HB2 HIS A 67 -13.802 5.885 0.962 1.00 1.28 H new ATOM 0 HB3 HIS A 67 -15.457 6.349 1.303 1.00 1.28 H new ATOM 0 HD2 HIS A 67 -13.348 6.416 -1.658 1.00 1.36 H new ATOM 0 HE1 HIS A 67 -15.517 10.038 -1.961 1.00 1.79 H new ATOM 0 HE2 HIS A 67 -14.071 8.380 -3.220 1.00 1.61 H new ATOM 1113 N THR A 68 -15.913 6.729 3.549 1.00 1.74 N ATOM 1114 CA THR A 68 -16.658 6.158 4.680 1.00 2.04 C ATOM 1115 C THR A 68 -16.857 7.212 5.776 1.00 1.92 C ATOM 1116 O THR A 68 -15.975 8.040 6.029 1.00 2.16 O ATOM 1117 CB THR A 68 -15.967 4.896 5.196 1.00 2.74 C ATOM 1118 OG1 THR A 68 -15.856 3.932 4.153 1.00 3.12 O ATOM 1119 CG2 THR A 68 -16.679 4.238 6.354 1.00 3.23 C ATOM 0 H THR A 68 -16.500 6.948 2.744 1.00 1.74 H new ATOM 0 HA THR A 68 -17.650 5.859 4.342 1.00 2.04 H new ATOM 0 HB THR A 68 -14.989 5.227 5.546 1.00 2.74 H new ATOM 0 HG1 THR A 68 -14.934 3.601 4.110 1.00 3.12 H new ATOM 0 HG21 THR A 68 -16.128 3.350 6.663 1.00 3.23 H new ATOM 0 HG22 THR A 68 -16.739 4.937 7.189 1.00 3.23 H new ATOM 0 HG23 THR A 68 -17.685 3.952 6.047 1.00 3.23 H new ATOM 1127 N THR A 69 -18.028 7.213 6.403 1.00 2.34 N ATOM 1128 CA THR A 69 -18.369 8.206 7.424 1.00 2.58 C ATOM 1129 C THR A 69 -17.494 8.091 8.676 1.00 2.35 C ATOM 1130 O THR A 69 -16.851 9.058 9.078 1.00 2.76 O ATOM 1131 CB THR A 69 -19.835 8.044 7.813 1.00 3.11 C ATOM 1132 OG1 THR A 69 -20.662 8.038 6.648 1.00 3.61 O ATOM 1133 CG2 THR A 69 -20.351 9.137 8.723 1.00 3.69 C ATOM 0 H THR A 69 -18.765 6.532 6.222 1.00 2.34 H new ATOM 0 HA THR A 69 -18.189 9.191 6.994 1.00 2.58 H new ATOM 0 HB THR A 69 -19.882 7.097 8.351 1.00 3.11 H new ATOM 0 HG1 THR A 69 -21.600 7.932 6.913 1.00 3.61 H new ATOM 0 HG21 THR A 69 -21.400 8.952 8.955 1.00 3.69 H new ATOM 0 HG22 THR A 69 -19.771 9.146 9.646 1.00 3.69 H new ATOM 0 HG23 THR A 69 -20.254 10.101 8.224 1.00 3.69 H new ATOM 1141 N ASP A 70 -17.503 6.927 9.288 1.00 2.34 N ATOM 1142 CA ASP A 70 -16.722 6.710 10.498 1.00 2.43 C ATOM 1143 C ASP A 70 -15.326 6.291 10.153 1.00 2.17 C ATOM 1144 O ASP A 70 -14.357 6.977 10.477 1.00 2.45 O ATOM 1145 CB ASP A 70 -17.376 5.647 11.382 1.00 3.01 C ATOM 1146 CG ASP A 70 -16.704 5.518 12.734 1.00 3.63 C ATOM 1147 OD1 ASP A 70 -15.594 4.948 12.819 1.00 4.26 O ATOM 1148 OD2 ASP A 70 -17.291 6.000 13.728 1.00 3.96 O ATOM 0 H ASP A 70 -18.038 6.117 8.974 1.00 2.34 H new ATOM 0 HA ASP A 70 -16.686 7.650 11.048 1.00 2.43 H new ATOM 0 HB2 ASP A 70 -18.427 5.896 11.526 1.00 3.01 H new ATOM 0 HB3 ASP A 70 -17.343 4.685 10.871 1.00 3.01 H new ATOM 1153 N GLU A 71 -15.221 5.169 9.466 1.00 2.04 N ATOM 1154 CA GLU A 71 -13.928 4.672 9.057 1.00 2.00 C ATOM 1155 C GLU A 71 -13.375 5.501 7.924 1.00 1.55 C ATOM 1156 O GLU A 71 -14.125 6.100 7.160 1.00 1.90 O ATOM 1157 CB GLU A 71 -14.001 3.223 8.599 1.00 2.69 C ATOM 1158 CG GLU A 71 -14.220 2.225 9.722 1.00 3.30 C ATOM 1159 CD GLU A 71 -14.089 0.805 9.228 1.00 3.99 C ATOM 1160 OE1 GLU A 71 -13.049 0.483 8.611 1.00 4.40 O ATOM 1161 OE2 GLU A 71 -15.024 0.005 9.444 1.00 4.50 O ATOM 0 H GLU A 71 -16.012 4.590 9.183 1.00 2.04 H new ATOM 0 HA GLU A 71 -13.275 4.739 9.927 1.00 2.00 H new ATOM 0 HB2 GLU A 71 -14.811 3.123 7.876 1.00 2.69 H new ATOM 0 HB3 GLU A 71 -13.077 2.971 8.079 1.00 2.69 H new ATOM 0 HG2 GLU A 71 -13.496 2.404 10.517 1.00 3.30 H new ATOM 0 HG3 GLU A 71 -15.210 2.372 10.154 1.00 3.30 H new ATOM 1168 N ASP A 72 -12.071 5.533 7.827 1.00 1.31 N ATOM 1169 CA ASP A 72 -11.415 6.279 6.780 1.00 1.10 C ATOM 1170 C ASP A 72 -10.785 5.312 5.783 1.00 0.90 C ATOM 1171 O ASP A 72 -9.611 4.948 5.906 1.00 1.26 O ATOM 1172 CB ASP A 72 -10.341 7.208 7.369 1.00 1.58 C ATOM 1173 CG ASP A 72 -10.913 8.252 8.321 1.00 2.08 C ATOM 1174 OD1 ASP A 72 -11.672 9.141 7.866 1.00 2.67 O ATOM 1175 OD2 ASP A 72 -10.628 8.171 9.534 1.00 2.64 O ATOM 0 H ASP A 72 -11.438 5.049 8.463 1.00 1.31 H new ATOM 0 HA ASP A 72 -12.155 6.894 6.268 1.00 1.10 H new ATOM 0 HB2 ASP A 72 -9.601 6.608 7.899 1.00 1.58 H new ATOM 0 HB3 ASP A 72 -9.820 7.713 6.556 1.00 1.58 H new ATOM 1180 N THR A 73 -11.585 4.875 4.816 1.00 0.74 N ATOM 1181 CA THR A 73 -11.133 3.947 3.797 1.00 0.65 C ATOM 1182 C THR A 73 -10.116 4.616 2.898 1.00 0.60 C ATOM 1183 O THR A 73 -10.395 5.655 2.307 1.00 0.79 O ATOM 1184 CB THR A 73 -12.334 3.462 2.986 1.00 0.79 C ATOM 1185 OG1 THR A 73 -13.274 2.820 3.832 1.00 0.89 O ATOM 1186 CG2 THR A 73 -11.964 2.490 1.876 1.00 0.94 C ATOM 0 H THR A 73 -12.561 5.156 4.720 1.00 0.74 H new ATOM 0 HA THR A 73 -10.656 3.089 4.271 1.00 0.65 H new ATOM 0 HB THR A 73 -12.757 4.356 2.527 1.00 0.79 H new ATOM 0 HG1 THR A 73 -13.957 2.378 3.286 1.00 0.89 H new ATOM 0 HG21 THR A 73 -12.865 2.187 1.342 1.00 0.94 H new ATOM 0 HG22 THR A 73 -11.276 2.974 1.183 1.00 0.94 H new ATOM 0 HG23 THR A 73 -11.485 1.611 2.307 1.00 0.94 H new ATOM 1194 N ILE A 74 -8.933 4.027 2.801 1.00 0.53 N ATOM 1195 CA ILE A 74 -7.867 4.595 2.000 1.00 0.52 C ATOM 1196 C ILE A 74 -8.075 4.213 0.527 1.00 0.50 C ATOM 1197 O ILE A 74 -7.894 3.064 0.122 1.00 0.66 O ATOM 1198 CB ILE A 74 -6.488 4.109 2.492 1.00 0.62 C ATOM 1199 CG1 ILE A 74 -6.228 4.628 3.918 1.00 0.79 C ATOM 1200 CG2 ILE A 74 -5.379 4.556 1.570 1.00 0.73 C ATOM 1201 CD1 ILE A 74 -6.243 6.144 4.032 1.00 0.99 C ATOM 0 H ILE A 74 -8.690 3.154 3.269 1.00 0.53 H new ATOM 0 HA ILE A 74 -7.893 5.680 2.099 1.00 0.52 H new ATOM 0 HB ILE A 74 -6.499 3.019 2.496 1.00 0.62 H new ATOM 0 HG12 ILE A 74 -6.982 4.215 4.588 1.00 0.79 H new ATOM 0 HG13 ILE A 74 -5.261 4.257 4.259 1.00 0.79 H new ATOM 0 HG21 ILE A 74 -4.423 4.195 1.949 1.00 0.73 H new ATOM 0 HG22 ILE A 74 -5.550 4.151 0.572 1.00 0.73 H new ATOM 0 HG23 ILE A 74 -5.362 5.645 1.522 1.00 0.73 H new ATOM 0 HD11 ILE A 74 -6.052 6.433 5.066 1.00 0.99 H new ATOM 0 HD12 ILE A 74 -5.470 6.565 3.389 1.00 0.99 H new ATOM 0 HD13 ILE A 74 -7.217 6.522 3.723 1.00 0.99 H new ATOM 1213 N VAL A 75 -8.507 5.192 -0.260 1.00 0.42 N ATOM 1214 CA VAL A 75 -8.790 4.988 -1.665 1.00 0.45 C ATOM 1215 C VAL A 75 -7.689 5.599 -2.540 1.00 0.46 C ATOM 1216 O VAL A 75 -7.204 6.707 -2.273 1.00 0.59 O ATOM 1217 CB VAL A 75 -10.166 5.597 -2.031 1.00 0.55 C ATOM 1218 CG1 VAL A 75 -11.230 5.105 -1.050 1.00 0.61 C ATOM 1219 CG2 VAL A 75 -10.116 7.121 -2.090 1.00 1.19 C ATOM 0 H VAL A 75 -8.669 6.146 0.063 1.00 0.42 H new ATOM 0 HA VAL A 75 -8.819 3.915 -1.853 1.00 0.45 H new ATOM 0 HB VAL A 75 -10.435 5.259 -3.032 1.00 0.55 H new ATOM 0 HG11 VAL A 75 -12.195 5.537 -1.313 1.00 0.61 H new ATOM 0 HG12 VAL A 75 -11.294 4.018 -1.098 1.00 0.61 H new ATOM 0 HG13 VAL A 75 -10.960 5.408 -0.038 1.00 0.61 H new ATOM 0 HG21 VAL A 75 -11.101 7.508 -2.350 1.00 1.19 H new ATOM 0 HG22 VAL A 75 -9.817 7.513 -1.118 1.00 1.19 H new ATOM 0 HG23 VAL A 75 -9.394 7.432 -2.845 1.00 1.19 H new ATOM 1229 N LEU A 76 -7.318 4.873 -3.595 1.00 0.51 N ATOM 1230 CA LEU A 76 -6.293 5.320 -4.522 1.00 0.58 C ATOM 1231 C LEU A 76 -6.945 5.708 -5.849 1.00 0.59 C ATOM 1232 O LEU A 76 -7.494 4.872 -6.573 1.00 0.68 O ATOM 1233 CB LEU A 76 -5.215 4.257 -4.733 1.00 0.74 C ATOM 1234 CG LEU A 76 -4.316 3.992 -3.513 1.00 0.86 C ATOM 1235 CD1 LEU A 76 -5.000 3.049 -2.522 1.00 0.75 C ATOM 1236 CD2 LEU A 76 -2.958 3.443 -3.937 1.00 1.04 C ATOM 0 H LEU A 76 -7.720 3.964 -3.825 1.00 0.51 H new ATOM 0 HA LEU A 76 -5.797 6.191 -4.094 1.00 0.58 H new ATOM 0 HB2 LEU A 76 -5.698 3.323 -5.019 1.00 0.74 H new ATOM 0 HB3 LEU A 76 -4.586 4.560 -5.570 1.00 0.74 H new ATOM 0 HG LEU A 76 -4.149 4.945 -3.012 1.00 0.86 H new ATOM 0 HD11 LEU A 76 -4.343 2.878 -1.669 1.00 0.75 H new ATOM 0 HD12 LEU A 76 -5.932 3.497 -2.178 1.00 0.75 H new ATOM 0 HD13 LEU A 76 -5.213 2.099 -3.012 1.00 0.75 H new ATOM 0 HD21 LEU A 76 -2.345 3.266 -3.053 1.00 1.04 H new ATOM 0 HD22 LEU A 76 -3.097 2.506 -4.476 1.00 1.04 H new ATOM 0 HD23 LEU A 76 -2.460 4.164 -4.585 1.00 1.04 H new ATOM 1248 N GLN A 77 -6.904 6.992 -6.144 1.00 0.62 N ATOM 1249 CA GLN A 77 -7.510 7.523 -7.355 1.00 0.74 C ATOM 1250 C GLN A 77 -6.455 7.827 -8.419 1.00 0.78 C ATOM 1251 O GLN A 77 -5.522 8.596 -8.185 1.00 1.06 O ATOM 1252 CB GLN A 77 -8.307 8.775 -7.009 1.00 0.93 C ATOM 1253 CG GLN A 77 -9.143 9.321 -8.147 1.00 1.36 C ATOM 1254 CD GLN A 77 -9.998 10.495 -7.711 1.00 1.61 C ATOM 1255 OE1 GLN A 77 -10.874 10.353 -6.854 1.00 2.19 O ATOM 1256 NE2 GLN A 77 -9.754 11.667 -8.282 1.00 2.03 N ATOM 0 H GLN A 77 -6.454 7.695 -5.558 1.00 0.62 H new ATOM 0 HA GLN A 77 -8.180 6.771 -7.772 1.00 0.74 H new ATOM 0 HB2 GLN A 77 -8.963 8.552 -6.168 1.00 0.93 H new ATOM 0 HB3 GLN A 77 -7.616 9.550 -6.678 1.00 0.93 H new ATOM 0 HG2 GLN A 77 -8.488 9.632 -8.961 1.00 1.36 H new ATOM 0 HG3 GLN A 77 -9.784 8.531 -8.538 1.00 1.36 H new ATOM 0 HE21 GLN A 77 -9.022 11.748 -8.987 1.00 2.03 H new ATOM 0 HE22 GLN A 77 -10.299 12.487 -8.016 1.00 2.03 H new ATOM 1265 N PRO A 78 -6.594 7.211 -9.604 1.00 0.85 N ATOM 1266 CA PRO A 78 -5.654 7.401 -10.709 1.00 0.99 C ATOM 1267 C PRO A 78 -5.690 8.815 -11.289 1.00 1.02 C ATOM 1268 O PRO A 78 -6.549 9.131 -12.110 1.00 1.34 O ATOM 1269 CB PRO A 78 -6.115 6.390 -11.758 1.00 1.43 C ATOM 1270 CG PRO A 78 -7.531 6.066 -11.421 1.00 1.60 C ATOM 1271 CD PRO A 78 -7.676 6.259 -9.941 1.00 1.20 C ATOM 0 HA PRO A 78 -4.625 7.259 -10.379 1.00 0.99 H new ATOM 0 HB2 PRO A 78 -6.038 6.807 -12.762 1.00 1.43 H new ATOM 0 HB3 PRO A 78 -5.494 5.495 -11.736 1.00 1.43 H new ATOM 0 HG2 PRO A 78 -8.217 6.715 -11.965 1.00 1.60 H new ATOM 0 HG3 PRO A 78 -7.771 5.041 -11.703 1.00 1.60 H new ATOM 0 HD2 PRO A 78 -8.656 6.660 -9.684 1.00 1.20 H new ATOM 0 HD3 PRO A 78 -7.564 5.318 -9.402 1.00 1.20 H new ATOM 1279 N GLN A 79 -4.744 9.654 -10.868 1.00 1.17 N ATOM 1280 CA GLN A 79 -4.669 11.027 -11.372 1.00 1.56 C ATOM 1281 C GLN A 79 -4.044 11.047 -12.765 1.00 1.66 C ATOM 1282 O GLN A 79 -4.000 12.086 -13.416 1.00 2.02 O ATOM 1283 CB GLN A 79 -3.890 11.947 -10.422 1.00 2.04 C ATOM 1284 CG GLN A 79 -2.402 11.695 -10.392 1.00 2.20 C ATOM 1285 CD GLN A 79 -1.652 12.695 -9.522 1.00 2.84 C ATOM 1286 OE1 GLN A 79 -1.820 12.720 -8.303 1.00 3.22 O ATOM 1287 NE2 GLN A 79 -0.833 13.535 -10.152 1.00 3.46 N ATOM 0 H GLN A 79 -4.025 9.412 -10.186 1.00 1.17 H new ATOM 0 HA GLN A 79 -5.688 11.410 -11.432 1.00 1.56 H new ATOM 0 HB2 GLN A 79 -4.065 12.983 -10.714 1.00 2.04 H new ATOM 0 HB3 GLN A 79 -4.287 11.828 -9.414 1.00 2.04 H new ATOM 0 HG2 GLN A 79 -2.216 10.687 -10.022 1.00 2.20 H new ATOM 0 HG3 GLN A 79 -2.010 11.739 -11.408 1.00 2.20 H new ATOM 0 HE21 GLN A 79 -0.724 13.478 -11.165 1.00 3.46 H new ATOM 0 HE22 GLN A 79 -0.314 14.235 -9.622 1.00 3.46 H new ATOM 1296 N GLU A 80 -3.595 9.889 -13.229 1.00 1.50 N ATOM 1297 CA GLU A 80 -3.014 9.764 -14.550 1.00 1.81 C ATOM 1298 C GLU A 80 -3.642 8.577 -15.251 1.00 1.62 C ATOM 1299 O GLU A 80 -3.914 7.564 -14.601 1.00 1.78 O ATOM 1300 CB GLU A 80 -1.498 9.540 -14.470 1.00 2.37 C ATOM 1301 CG GLU A 80 -0.690 10.750 -14.051 1.00 3.06 C ATOM 1302 CD GLU A 80 -0.718 11.844 -15.082 1.00 3.86 C ATOM 1303 OE1 GLU A 80 -0.392 11.571 -16.252 1.00 4.42 O ATOM 1304 OE2 GLU A 80 -1.048 12.986 -14.721 1.00 4.35 O ATOM 0 H GLU A 80 -3.625 9.017 -12.701 1.00 1.50 H new ATOM 0 HA GLU A 80 -3.203 10.687 -15.099 1.00 1.81 H new ATOM 0 HB2 GLU A 80 -1.303 8.731 -13.766 1.00 2.37 H new ATOM 0 HB3 GLU A 80 -1.144 9.206 -15.445 1.00 2.37 H new ATOM 0 HG2 GLU A 80 -1.078 11.134 -13.108 1.00 3.06 H new ATOM 0 HG3 GLU A 80 0.342 10.450 -13.872 1.00 3.06 H new ATOM 1311 N PRO A 81 -3.878 8.672 -16.563 1.00 1.93 N ATOM 1312 CA PRO A 81 -4.478 7.577 -17.332 1.00 2.28 C ATOM 1313 C PRO A 81 -3.525 6.399 -17.465 1.00 2.24 C ATOM 1314 O PRO A 81 -2.617 6.400 -18.303 1.00 2.80 O ATOM 1315 CB PRO A 81 -4.764 8.198 -18.693 1.00 2.89 C ATOM 1316 CG PRO A 81 -3.820 9.350 -18.806 1.00 3.10 C ATOM 1317 CD PRO A 81 -3.573 9.847 -17.405 1.00 2.53 C ATOM 0 HA PRO A 81 -5.371 7.177 -16.851 1.00 2.28 H new ATOM 0 HB2 PRO A 81 -4.604 7.478 -19.495 1.00 2.89 H new ATOM 0 HB3 PRO A 81 -5.800 8.530 -18.764 1.00 2.89 H new ATOM 0 HG2 PRO A 81 -2.887 9.041 -19.277 1.00 3.10 H new ATOM 0 HG3 PRO A 81 -4.245 10.139 -19.427 1.00 3.10 H new ATOM 0 HD2 PRO A 81 -2.543 10.179 -17.273 1.00 2.53 H new ATOM 0 HD3 PRO A 81 -4.215 10.693 -17.160 1.00 2.53 H new ATOM 1325 N GLY A 82 -3.740 5.395 -16.644 1.00 1.99 N ATOM 1326 CA GLY A 82 -2.903 4.213 -16.670 1.00 2.10 C ATOM 1327 C GLY A 82 -2.825 3.556 -15.313 1.00 1.96 C ATOM 1328 O GLY A 82 -2.029 2.643 -15.087 1.00 2.51 O ATOM 0 H GLY A 82 -4.487 5.372 -15.950 1.00 1.99 H new ATOM 0 HA2 GLY A 82 -3.298 3.503 -17.396 1.00 2.10 H new ATOM 0 HA3 GLY A 82 -1.901 4.484 -17.002 1.00 2.10 H new ATOM 1332 N LEU A 83 -3.675 4.010 -14.418 1.00 1.57 N ATOM 1333 CA LEU A 83 -3.731 3.448 -13.087 1.00 1.40 C ATOM 1334 C LEU A 83 -5.101 2.849 -12.836 1.00 1.22 C ATOM 1335 O LEU A 83 -6.120 3.442 -13.204 1.00 1.13 O ATOM 1336 CB LEU A 83 -3.442 4.490 -12.010 1.00 1.31 C ATOM 1337 CG LEU A 83 -1.987 4.875 -11.837 1.00 1.47 C ATOM 1338 CD1 LEU A 83 -1.840 6.009 -10.842 1.00 1.26 C ATOM 1339 CD2 LEU A 83 -1.176 3.679 -11.393 1.00 1.86 C ATOM 0 H LEU A 83 -4.337 4.767 -14.588 1.00 1.57 H new ATOM 0 HA LEU A 83 -2.962 2.678 -13.031 1.00 1.40 H new ATOM 0 HB2 LEU A 83 -4.011 5.390 -12.241 1.00 1.31 H new ATOM 0 HB3 LEU A 83 -3.814 4.113 -11.057 1.00 1.31 H new ATOM 0 HG LEU A 83 -1.610 5.218 -12.801 1.00 1.47 H new ATOM 0 HD11 LEU A 83 -0.786 6.266 -10.736 1.00 1.26 H new ATOM 0 HD12 LEU A 83 -2.392 6.879 -11.198 1.00 1.26 H new ATOM 0 HD13 LEU A 83 -2.236 5.699 -9.875 1.00 1.26 H new ATOM 0 HD21 LEU A 83 -0.133 3.971 -11.273 1.00 1.86 H new ATOM 0 HD22 LEU A 83 -1.561 3.311 -10.442 1.00 1.86 H new ATOM 0 HD23 LEU A 83 -1.248 2.892 -12.143 1.00 1.86 H new ATOM 1351 N PRO A 84 -5.161 1.688 -12.195 1.00 1.33 N ATOM 1352 CA PRO A 84 -6.426 1.056 -11.883 1.00 1.29 C ATOM 1353 C PRO A 84 -7.130 1.778 -10.738 1.00 1.09 C ATOM 1354 O PRO A 84 -6.517 2.535 -9.986 1.00 1.15 O ATOM 1355 CB PRO A 84 -6.031 -0.377 -11.504 1.00 1.58 C ATOM 1356 CG PRO A 84 -4.633 -0.277 -10.998 1.00 1.75 C ATOM 1357 CD PRO A 84 -4.009 0.923 -11.686 1.00 1.64 C ATOM 0 HA PRO A 84 -7.135 1.082 -12.711 1.00 1.29 H new ATOM 0 HB2 PRO A 84 -6.698 -0.780 -10.742 1.00 1.58 H new ATOM 0 HB3 PRO A 84 -6.091 -1.043 -12.365 1.00 1.58 H new ATOM 0 HG2 PRO A 84 -4.621 -0.153 -9.915 1.00 1.75 H new ATOM 0 HG3 PRO A 84 -4.074 -1.186 -11.221 1.00 1.75 H new ATOM 0 HD2 PRO A 84 -3.413 1.515 -10.991 1.00 1.64 H new ATOM 0 HD3 PRO A 84 -3.345 0.618 -12.495 1.00 1.64 H new ATOM 1365 N SER A 85 -8.401 1.526 -10.582 1.00 0.99 N ATOM 1366 CA SER A 85 -9.151 2.153 -9.520 1.00 0.88 C ATOM 1367 C SER A 85 -9.438 1.130 -8.437 1.00 0.63 C ATOM 1368 O SER A 85 -10.219 0.205 -8.638 1.00 0.82 O ATOM 1369 CB SER A 85 -10.452 2.738 -10.046 1.00 1.23 C ATOM 1370 OG SER A 85 -10.228 3.492 -11.227 1.00 1.43 O ATOM 0 H SER A 85 -8.941 0.893 -11.173 1.00 0.99 H new ATOM 0 HA SER A 85 -8.559 2.969 -9.105 1.00 0.88 H new ATOM 0 HB2 SER A 85 -11.160 1.935 -10.251 1.00 1.23 H new ATOM 0 HB3 SER A 85 -10.904 3.374 -9.284 1.00 1.23 H new ATOM 0 HG SER A 85 -11.079 3.857 -11.548 1.00 1.43 H new ATOM 1376 N PHE A 86 -8.824 1.311 -7.278 1.00 0.53 N ATOM 1377 CA PHE A 86 -9.055 0.413 -6.159 1.00 0.64 C ATOM 1378 C PHE A 86 -8.985 1.180 -4.855 1.00 0.57 C ATOM 1379 O PHE A 86 -8.358 2.236 -4.764 1.00 0.63 O ATOM 1380 CB PHE A 86 -8.039 -0.755 -6.170 1.00 1.04 C ATOM 1381 CG PHE A 86 -6.723 -0.466 -5.488 1.00 0.74 C ATOM 1382 CD1 PHE A 86 -5.827 0.465 -5.998 1.00 1.30 C ATOM 1383 CD2 PHE A 86 -6.384 -1.148 -4.336 1.00 1.41 C ATOM 1384 CE1 PHE A 86 -4.633 0.704 -5.369 1.00 1.36 C ATOM 1385 CE2 PHE A 86 -5.183 -0.912 -3.698 1.00 1.36 C ATOM 1386 CZ PHE A 86 -4.309 0.012 -4.210 1.00 0.75 C ATOM 0 H PHE A 86 -8.166 2.067 -7.089 1.00 0.53 H new ATOM 0 HA PHE A 86 -10.053 -0.015 -6.256 1.00 0.64 H new ATOM 0 HB2 PHE A 86 -8.497 -1.619 -5.689 1.00 1.04 H new ATOM 0 HB3 PHE A 86 -7.841 -1.034 -7.205 1.00 1.04 H new ATOM 0 HD1 PHE A 86 -6.074 1.006 -6.899 1.00 1.30 H new ATOM 0 HD2 PHE A 86 -7.069 -1.877 -3.928 1.00 1.41 H new ATOM 0 HE1 PHE A 86 -3.944 1.430 -5.775 1.00 1.36 H new ATOM 0 HE2 PHE A 86 -4.932 -1.454 -2.798 1.00 1.36 H new ATOM 0 HZ PHE A 86 -3.369 0.201 -3.712 1.00 0.75 H new ATOM 1396 N ARG A 87 -9.624 0.636 -3.844 1.00 0.60 N ATOM 1397 CA ARG A 87 -9.638 1.230 -2.530 1.00 0.57 C ATOM 1398 C ARG A 87 -9.233 0.135 -1.557 1.00 0.57 C ATOM 1399 O ARG A 87 -9.438 -1.030 -1.876 1.00 0.79 O ATOM 1400 CB ARG A 87 -11.037 1.743 -2.170 1.00 0.68 C ATOM 1401 CG ARG A 87 -11.633 2.751 -3.147 1.00 1.18 C ATOM 1402 CD ARG A 87 -12.119 2.126 -4.456 1.00 1.24 C ATOM 1403 NE ARG A 87 -13.133 1.077 -4.279 1.00 1.36 N ATOM 1404 CZ ARG A 87 -14.373 1.284 -3.809 1.00 1.70 C ATOM 1405 NH1 ARG A 87 -14.614 2.309 -3.004 1.00 2.00 N ATOM 1406 NH2 ARG A 87 -15.253 0.278 -3.818 1.00 2.41 N ATOM 0 H ARG A 87 -10.150 -0.235 -3.912 1.00 0.60 H new ATOM 0 HA ARG A 87 -8.959 2.082 -2.491 1.00 0.57 H new ATOM 0 HB2 ARG A 87 -11.711 0.890 -2.098 1.00 0.68 H new ATOM 0 HB3 ARG A 87 -10.995 2.201 -1.182 1.00 0.68 H new ATOM 0 HG2 ARG A 87 -12.468 3.260 -2.666 1.00 1.18 H new ATOM 0 HG3 ARG A 87 -10.885 3.510 -3.373 1.00 1.18 H new ATOM 0 HD2 ARG A 87 -12.531 2.911 -5.090 1.00 1.24 H new ATOM 0 HD3 ARG A 87 -11.264 1.705 -4.985 1.00 1.24 H new ATOM 0 HE ARG A 87 -12.876 0.123 -4.532 1.00 1.36 H new ATOM 0 HH11 ARG A 87 -13.857 2.940 -2.742 1.00 2.00 H new ATOM 0 HH12 ARG A 87 -15.556 2.466 -2.647 1.00 2.00 H new ATOM 0 HH21 ARG A 87 -14.979 -0.636 -4.180 1.00 2.41 H new ATOM 0 HH22 ARG A 87 -16.198 0.424 -3.463 1.00 2.41 H new ATOM 1420 N ILE A 88 -8.638 0.458 -0.411 1.00 0.52 N ATOM 1421 CA ILE A 88 -8.211 -0.591 0.524 1.00 0.54 C ATOM 1422 C ILE A 88 -8.857 -0.443 1.901 1.00 0.59 C ATOM 1423 O ILE A 88 -8.651 0.536 2.627 1.00 0.68 O ATOM 1424 CB ILE A 88 -6.675 -0.695 0.633 1.00 0.59 C ATOM 1425 CG1 ILE A 88 -6.034 0.683 0.806 1.00 0.63 C ATOM 1426 CG2 ILE A 88 -6.145 -1.421 -0.598 1.00 0.65 C ATOM 1427 CD1 ILE A 88 -4.518 0.647 0.846 1.00 0.74 C ATOM 0 H ILE A 88 -8.442 1.412 -0.108 1.00 0.52 H new ATOM 0 HA ILE A 88 -8.567 -1.530 0.101 1.00 0.54 H new ATOM 0 HB ILE A 88 -6.410 -1.267 1.522 1.00 0.59 H new ATOM 0 HG12 ILE A 88 -6.352 1.328 -0.013 1.00 0.63 H new ATOM 0 HG13 ILE A 88 -6.403 1.133 1.728 1.00 0.63 H new ATOM 0 HG21 ILE A 88 -5.060 -1.501 -0.534 1.00 0.65 H new ATOM 0 HG22 ILE A 88 -6.581 -2.419 -0.647 1.00 0.65 H new ATOM 0 HG23 ILE A 88 -6.415 -0.862 -1.494 1.00 0.65 H new ATOM 0 HD11 ILE A 88 -4.133 1.659 0.971 1.00 0.74 H new ATOM 0 HD12 ILE A 88 -4.191 0.029 1.682 1.00 0.74 H new ATOM 0 HD13 ILE A 88 -4.139 0.227 -0.086 1.00 0.74 H new ATOM 1439 N LYS A 89 -9.692 -1.430 2.208 1.00 0.62 N ATOM 1440 CA LYS A 89 -10.447 -1.488 3.448 1.00 0.74 C ATOM 1441 C LYS A 89 -9.978 -2.639 4.330 1.00 0.85 C ATOM 1442 O LYS A 89 -9.628 -3.706 3.832 1.00 0.96 O ATOM 1443 CB LYS A 89 -11.927 -1.745 3.127 1.00 0.95 C ATOM 1444 CG LYS A 89 -12.847 -0.549 3.253 1.00 1.31 C ATOM 1445 CD LYS A 89 -13.222 -0.292 4.716 1.00 1.68 C ATOM 1446 CE LYS A 89 -13.883 -1.513 5.351 1.00 1.89 C ATOM 1447 NZ LYS A 89 -14.230 -1.297 6.773 1.00 2.46 N ATOM 0 H LYS A 89 -9.864 -2.223 1.590 1.00 0.62 H new ATOM 0 HA LYS A 89 -10.301 -0.541 3.967 1.00 0.74 H new ATOM 0 HB2 LYS A 89 -11.997 -2.128 2.109 1.00 0.95 H new ATOM 0 HB3 LYS A 89 -12.291 -2.531 3.789 1.00 0.95 H new ATOM 0 HG2 LYS A 89 -12.359 0.334 2.839 1.00 1.31 H new ATOM 0 HG3 LYS A 89 -13.751 -0.718 2.667 1.00 1.31 H new ATOM 0 HD2 LYS A 89 -12.328 -0.027 5.280 1.00 1.68 H new ATOM 0 HD3 LYS A 89 -13.899 0.560 4.774 1.00 1.68 H new ATOM 0 HE2 LYS A 89 -14.786 -1.763 4.794 1.00 1.89 H new ATOM 0 HE3 LYS A 89 -13.212 -2.368 5.270 1.00 1.89 H new ATOM 0 HZ1 LYS A 89 -14.203 -2.205 7.279 1.00 2.46 H new ATOM 0 HZ2 LYS A 89 -13.546 -0.641 7.202 1.00 2.46 H new ATOM 0 HZ3 LYS A 89 -15.186 -0.892 6.840 1.00 2.46 H new ATOM 1461 N PRO A 90 -10.012 -2.461 5.666 1.00 1.06 N ATOM 1462 CA PRO A 90 -9.661 -3.517 6.601 1.00 1.30 C ATOM 1463 C PRO A 90 -10.884 -4.421 6.833 1.00 1.47 C ATOM 1464 O PRO A 90 -11.481 -4.395 7.910 1.00 1.94 O ATOM 1465 CB PRO A 90 -9.293 -2.738 7.867 1.00 1.59 C ATOM 1466 CG PRO A 90 -10.131 -1.510 7.823 1.00 1.77 C ATOM 1467 CD PRO A 90 -10.444 -1.235 6.368 1.00 1.29 C ATOM 0 HA PRO A 90 -8.857 -4.171 6.263 1.00 1.30 H new ATOM 0 HB2 PRO A 90 -9.498 -3.323 8.764 1.00 1.59 H new ATOM 0 HB3 PRO A 90 -8.232 -2.491 7.883 1.00 1.59 H new ATOM 0 HG2 PRO A 90 -11.049 -1.650 8.394 1.00 1.77 H new ATOM 0 HG3 PRO A 90 -9.603 -0.667 8.269 1.00 1.77 H new ATOM 0 HD2 PRO A 90 -11.507 -1.044 6.219 1.00 1.29 H new ATOM 0 HD3 PRO A 90 -9.908 -0.358 6.004 1.00 1.29 H new ATOM 1475 N LYS A 91 -11.281 -5.166 5.786 1.00 1.40 N ATOM 1476 CA LYS A 91 -12.460 -6.048 5.816 1.00 1.72 C ATOM 1477 C LYS A 91 -12.552 -6.843 7.124 1.00 2.02 C ATOM 1478 O LYS A 91 -13.245 -6.433 8.070 1.00 2.48 O ATOM 1479 CB LYS A 91 -12.419 -6.986 4.602 1.00 1.95 C ATOM 1480 CG LYS A 91 -13.716 -7.020 3.818 1.00 2.50 C ATOM 1481 CD LYS A 91 -14.764 -7.894 4.482 1.00 2.94 C ATOM 1482 CE LYS A 91 -14.367 -9.359 4.515 1.00 3.58 C ATOM 1483 NZ LYS A 91 -15.448 -10.193 5.096 1.00 4.13 N ATOM 0 H LYS A 91 -10.790 -5.173 4.892 1.00 1.40 H new ATOM 0 HA LYS A 91 -13.356 -5.429 5.767 1.00 1.72 H new ATOM 0 HB2 LYS A 91 -11.612 -6.674 3.939 1.00 1.95 H new ATOM 0 HB3 LYS A 91 -12.182 -7.995 4.940 1.00 1.95 H new ATOM 0 HG2 LYS A 91 -14.103 -6.006 3.715 1.00 2.50 H new ATOM 0 HG3 LYS A 91 -13.521 -7.391 2.812 1.00 2.50 H new ATOM 0 HD2 LYS A 91 -14.931 -7.544 5.501 1.00 2.94 H new ATOM 0 HD3 LYS A 91 -15.709 -7.789 3.950 1.00 2.94 H new ATOM 0 HE2 LYS A 91 -14.143 -9.701 3.505 1.00 3.58 H new ATOM 0 HE3 LYS A 91 -13.456 -9.479 5.101 1.00 3.58 H new ATOM 0 HZ1 LYS A 91 -15.150 -11.189 5.106 1.00 4.13 H new ATOM 0 HZ2 LYS A 91 -15.644 -9.880 6.068 1.00 4.13 H new ATOM 0 HZ3 LYS A 91 -16.309 -10.095 4.521 1.00 4.13 H new ATOM 1497 N ASP A 92 -11.853 -7.963 7.189 1.00 2.34 N ATOM 1498 CA ASP A 92 -11.854 -8.769 8.380 1.00 2.92 C ATOM 1499 C ASP A 92 -10.439 -8.861 8.932 1.00 2.79 C ATOM 1500 O ASP A 92 -9.514 -8.249 8.365 1.00 3.27 O ATOM 1501 CB ASP A 92 -12.453 -10.160 8.114 1.00 3.81 C ATOM 1502 CG ASP A 92 -11.720 -10.989 7.087 1.00 4.45 C ATOM 1503 OD1 ASP A 92 -10.485 -11.130 7.182 1.00 4.67 O ATOM 1504 OD2 ASP A 92 -12.393 -11.566 6.208 1.00 5.11 O ATOM 0 H ASP A 92 -11.281 -8.328 6.428 1.00 2.34 H new ATOM 0 HA ASP A 92 -12.488 -8.295 9.129 1.00 2.92 H new ATOM 0 HB2 ASP A 92 -12.478 -10.713 9.053 1.00 3.81 H new ATOM 0 HB3 ASP A 92 -13.486 -10.037 7.788 1.00 3.81 H new ATOM 1509 N PHE A 93 -10.294 -9.589 10.044 1.00 2.71 N ATOM 1510 CA PHE A 93 -8.999 -9.768 10.737 1.00 2.95 C ATOM 1511 C PHE A 93 -8.753 -8.579 11.662 1.00 3.05 C ATOM 1512 O PHE A 93 -8.319 -7.518 11.225 1.00 3.30 O ATOM 1513 CB PHE A 93 -7.842 -9.965 9.742 1.00 3.27 C ATOM 1514 CG PHE A 93 -6.537 -10.391 10.354 1.00 3.84 C ATOM 1515 CD1 PHE A 93 -6.518 -11.334 11.353 1.00 4.41 C ATOM 1516 CD2 PHE A 93 -5.330 -9.862 9.911 1.00 4.40 C ATOM 1517 CE1 PHE A 93 -5.324 -11.746 11.913 1.00 5.31 C ATOM 1518 CE2 PHE A 93 -4.134 -10.274 10.468 1.00 5.30 C ATOM 1519 CZ PHE A 93 -4.134 -11.216 11.469 1.00 5.69 C ATOM 0 H PHE A 93 -11.069 -10.075 10.496 1.00 2.71 H new ATOM 0 HA PHE A 93 -9.044 -10.677 11.337 1.00 2.95 H new ATOM 0 HB2 PHE A 93 -8.140 -10.711 9.006 1.00 3.27 H new ATOM 0 HB3 PHE A 93 -7.684 -9.031 9.203 1.00 3.27 H new ATOM 0 HD1 PHE A 93 -7.447 -11.758 11.705 1.00 4.41 H new ATOM 0 HD2 PHE A 93 -5.327 -9.122 9.124 1.00 4.40 H new ATOM 0 HE1 PHE A 93 -5.325 -12.485 12.700 1.00 5.31 H new ATOM 0 HE2 PHE A 93 -3.202 -9.857 10.118 1.00 5.30 H new ATOM 0 HZ PHE A 93 -3.201 -11.540 11.907 1.00 5.69 H new ATOM 1529 N GLU A 94 -9.082 -8.780 12.935 1.00 3.44 N ATOM 1530 CA GLU A 94 -8.963 -7.752 13.966 1.00 3.96 C ATOM 1531 C GLU A 94 -7.557 -7.210 14.051 1.00 3.75 C ATOM 1532 O GLU A 94 -7.366 -5.998 14.151 1.00 4.15 O ATOM 1533 CB GLU A 94 -9.375 -8.310 15.336 1.00 4.82 C ATOM 1534 CG GLU A 94 -10.741 -8.974 15.342 1.00 5.73 C ATOM 1535 CD GLU A 94 -11.108 -9.500 16.711 1.00 6.51 C ATOM 1536 OE1 GLU A 94 -10.363 -10.353 17.236 1.00 6.69 O ATOM 1537 OE2 GLU A 94 -12.137 -9.061 17.262 1.00 7.20 O ATOM 0 H GLU A 94 -9.442 -9.669 13.284 1.00 3.44 H new ATOM 0 HA GLU A 94 -9.632 -6.938 13.687 1.00 3.96 H new ATOM 0 HB2 GLU A 94 -8.628 -9.034 15.663 1.00 4.82 H new ATOM 0 HB3 GLU A 94 -9.373 -7.499 16.064 1.00 4.82 H new ATOM 0 HG2 GLU A 94 -11.494 -8.257 15.015 1.00 5.73 H new ATOM 0 HG3 GLU A 94 -10.749 -9.794 14.624 1.00 5.73 H new ATOM 1544 N THR A 95 -6.571 -8.095 14.005 1.00 3.56 N ATOM 1545 CA THR A 95 -5.186 -7.659 14.066 1.00 3.57 C ATOM 1546 C THR A 95 -4.775 -7.168 12.683 1.00 3.11 C ATOM 1547 O THR A 95 -4.000 -7.815 11.991 1.00 3.46 O ATOM 1548 CB THR A 95 -4.302 -8.810 14.545 1.00 4.37 C ATOM 1549 OG1 THR A 95 -4.908 -9.465 15.654 1.00 4.92 O ATOM 1550 CG2 THR A 95 -2.907 -8.377 14.966 1.00 4.79 C ATOM 0 H THR A 95 -6.702 -9.104 13.927 1.00 3.56 H new ATOM 0 HA THR A 95 -5.069 -6.841 14.777 1.00 3.57 H new ATOM 0 HB THR A 95 -4.202 -9.477 13.688 1.00 4.37 H new ATOM 0 HG1 THR A 95 -4.335 -10.202 15.952 1.00 4.92 H new ATOM 0 HG21 THR A 95 -2.339 -9.248 15.293 1.00 4.79 H new ATOM 0 HG22 THR A 95 -2.401 -7.910 14.121 1.00 4.79 H new ATOM 0 HG23 THR A 95 -2.980 -7.662 15.786 1.00 4.79 H new ATOM 1558 N SER A 96 -5.305 -6.013 12.292 1.00 2.83 N ATOM 1559 CA SER A 96 -5.027 -5.420 11.005 1.00 2.92 C ATOM 1560 C SER A 96 -5.767 -4.082 10.906 1.00 2.63 C ATOM 1561 O SER A 96 -5.246 -3.098 10.392 1.00 2.95 O ATOM 1562 CB SER A 96 -5.499 -6.359 9.895 1.00 3.49 C ATOM 1563 OG SER A 96 -4.826 -6.123 8.672 1.00 4.05 O ATOM 0 H SER A 96 -5.943 -5.465 12.869 1.00 2.83 H new ATOM 0 HA SER A 96 -3.955 -5.255 10.896 1.00 2.92 H new ATOM 0 HB2 SER A 96 -5.338 -7.392 10.203 1.00 3.49 H new ATOM 0 HB3 SER A 96 -6.572 -6.234 9.747 1.00 3.49 H new ATOM 0 HG SER A 96 -4.249 -5.336 8.763 1.00 4.05 H new ATOM 1569 N GLU A 97 -6.994 -4.061 11.430 1.00 2.52 N ATOM 1570 CA GLU A 97 -7.840 -2.857 11.410 1.00 2.71 C ATOM 1571 C GLU A 97 -7.163 -1.685 12.113 1.00 2.41 C ATOM 1572 O GLU A 97 -7.148 -0.565 11.596 1.00 2.64 O ATOM 1573 CB GLU A 97 -9.180 -3.136 12.096 1.00 3.26 C ATOM 1574 CG GLU A 97 -10.037 -4.192 11.412 1.00 3.93 C ATOM 1575 CD GLU A 97 -11.327 -4.458 12.162 1.00 4.42 C ATOM 1576 OE1 GLU A 97 -11.261 -4.954 13.304 1.00 4.75 O ATOM 1577 OE2 GLU A 97 -12.408 -4.146 11.626 1.00 4.86 O ATOM 0 H GLU A 97 -7.430 -4.868 11.877 1.00 2.52 H new ATOM 0 HA GLU A 97 -8.003 -2.594 10.365 1.00 2.71 H new ATOM 0 HB2 GLU A 97 -8.989 -3.451 13.122 1.00 3.26 H new ATOM 0 HB3 GLU A 97 -9.746 -2.206 12.149 1.00 3.26 H new ATOM 0 HG2 GLU A 97 -10.269 -3.868 10.398 1.00 3.93 H new ATOM 0 HG3 GLU A 97 -9.470 -5.119 11.328 1.00 3.93 H new ATOM 1584 N TYR A 98 -6.614 -1.943 13.296 1.00 2.15 N ATOM 1585 CA TYR A 98 -5.937 -0.903 14.083 1.00 1.95 C ATOM 1586 C TYR A 98 -4.662 -0.437 13.389 1.00 1.56 C ATOM 1587 O TYR A 98 -4.241 0.712 13.535 1.00 1.45 O ATOM 1588 CB TYR A 98 -5.632 -1.402 15.504 1.00 2.16 C ATOM 1589 CG TYR A 98 -6.861 -1.772 16.307 1.00 2.85 C ATOM 1590 CD1 TYR A 98 -7.532 -2.971 16.079 1.00 3.28 C ATOM 1591 CD2 TYR A 98 -7.367 -0.909 17.276 1.00 3.63 C ATOM 1592 CE1 TYR A 98 -8.670 -3.295 16.795 1.00 4.19 C ATOM 1593 CE2 TYR A 98 -8.502 -1.235 18.001 1.00 4.46 C ATOM 1594 CZ TYR A 98 -9.146 -2.427 17.754 1.00 4.66 C ATOM 1595 OH TYR A 98 -10.289 -2.739 18.453 1.00 5.65 O ATOM 0 H TYR A 98 -6.622 -2.863 13.736 1.00 2.15 H new ATOM 0 HA TYR A 98 -6.611 -0.050 14.161 1.00 1.95 H new ATOM 0 HB2 TYR A 98 -4.978 -2.272 15.439 1.00 2.16 H new ATOM 0 HB3 TYR A 98 -5.081 -0.628 16.039 1.00 2.16 H new ATOM 0 HD1 TYR A 98 -7.159 -3.657 15.333 1.00 3.28 H new ATOM 0 HD2 TYR A 98 -6.867 0.029 17.465 1.00 3.63 H new ATOM 0 HE1 TYR A 98 -9.184 -4.225 16.603 1.00 4.19 H new ATOM 0 HE2 TYR A 98 -8.879 -0.559 18.754 1.00 4.46 H new ATOM 0 HH TYR A 98 -10.488 -2.023 19.092 1.00 5.65 H new ATOM 1605 N VAL A 99 -4.078 -1.325 12.594 1.00 1.54 N ATOM 1606 CA VAL A 99 -2.883 -0.995 11.842 1.00 1.34 C ATOM 1607 C VAL A 99 -3.272 -0.075 10.692 1.00 1.17 C ATOM 1608 O VAL A 99 -2.564 0.878 10.381 1.00 1.04 O ATOM 1609 CB VAL A 99 -2.182 -2.254 11.299 1.00 1.65 C ATOM 1610 CG1 VAL A 99 -0.859 -1.903 10.622 1.00 1.76 C ATOM 1611 CG2 VAL A 99 -1.985 -3.270 12.416 1.00 1.91 C ATOM 0 H VAL A 99 -4.415 -2.278 12.456 1.00 1.54 H new ATOM 0 HA VAL A 99 -2.178 -0.497 12.507 1.00 1.34 H new ATOM 0 HB VAL A 99 -2.821 -2.704 10.539 1.00 1.65 H new ATOM 0 HG11 VAL A 99 -0.388 -2.813 10.249 1.00 1.76 H new ATOM 0 HG12 VAL A 99 -1.045 -1.224 9.790 1.00 1.76 H new ATOM 0 HG13 VAL A 99 -0.198 -1.422 11.343 1.00 1.76 H new ATOM 0 HG21 VAL A 99 -1.488 -4.155 12.019 1.00 1.91 H new ATOM 0 HG22 VAL A 99 -1.371 -2.831 13.203 1.00 1.91 H new ATOM 0 HG23 VAL A 99 -2.955 -3.551 12.827 1.00 1.91 H new ATOM 1621 N ARG A 100 -4.423 -0.361 10.078 1.00 1.36 N ATOM 1622 CA ARG A 100 -4.931 0.450 8.984 1.00 1.42 C ATOM 1623 C ARG A 100 -5.065 1.912 9.421 1.00 1.31 C ATOM 1624 O ARG A 100 -4.822 2.831 8.642 1.00 1.31 O ATOM 1625 CB ARG A 100 -6.267 -0.109 8.491 1.00 1.78 C ATOM 1626 CG ARG A 100 -6.903 0.700 7.371 1.00 2.37 C ATOM 1627 CD ARG A 100 -7.814 1.803 7.900 1.00 3.01 C ATOM 1628 NE ARG A 100 -8.837 1.288 8.803 1.00 3.48 N ATOM 1629 CZ ARG A 100 -9.903 1.987 9.206 1.00 4.17 C ATOM 1630 NH1 ARG A 100 -10.125 3.206 8.723 1.00 4.49 N ATOM 1631 NH2 ARG A 100 -10.796 1.430 10.013 1.00 4.93 N ATOM 0 H ARG A 100 -5.018 -1.152 10.326 1.00 1.36 H new ATOM 0 HA ARG A 100 -4.223 0.414 8.156 1.00 1.42 H new ATOM 0 HB2 ARG A 100 -6.115 -1.132 8.145 1.00 1.78 H new ATOM 0 HB3 ARG A 100 -6.961 -0.156 9.330 1.00 1.78 H new ATOM 0 HG2 ARG A 100 -6.120 1.143 6.755 1.00 2.37 H new ATOM 0 HG3 ARG A 100 -7.478 0.035 6.726 1.00 2.37 H new ATOM 0 HD2 ARG A 100 -7.214 2.549 8.421 1.00 3.01 H new ATOM 0 HD3 ARG A 100 -8.293 2.309 7.062 1.00 3.01 H new ATOM 0 HE ARG A 100 -8.733 0.334 9.149 1.00 3.48 H new ATOM 0 HH11 ARG A 100 -9.481 3.610 8.043 1.00 4.49 H new ATOM 0 HH12 ARG A 100 -10.939 3.737 9.032 1.00 4.49 H new ATOM 0 HH21 ARG A 100 -10.670 0.468 10.327 1.00 4.93 H new ATOM 0 HH22 ARG A 100 -11.609 1.964 10.320 1.00 4.93 H new ATOM 1645 N LYS A 101 -5.448 2.109 10.686 1.00 1.34 N ATOM 1646 CA LYS A 101 -5.604 3.444 11.265 1.00 1.43 C ATOM 1647 C LYS A 101 -4.283 4.192 11.269 1.00 1.27 C ATOM 1648 O LYS A 101 -4.251 5.423 11.211 1.00 1.40 O ATOM 1649 CB LYS A 101 -6.143 3.335 12.697 1.00 1.68 C ATOM 1650 CG LYS A 101 -7.609 2.997 12.761 1.00 2.35 C ATOM 1651 CD LYS A 101 -8.138 2.912 14.201 1.00 2.61 C ATOM 1652 CE LYS A 101 -8.002 4.230 14.940 1.00 2.79 C ATOM 1653 NZ LYS A 101 -8.419 4.122 16.359 1.00 3.24 N ATOM 0 H LYS A 101 -5.658 1.350 11.334 1.00 1.34 H new ATOM 0 HA LYS A 101 -6.313 4.000 10.652 1.00 1.43 H new ATOM 0 HB2 LYS A 101 -5.578 2.572 13.233 1.00 1.68 H new ATOM 0 HB3 LYS A 101 -5.973 4.279 13.214 1.00 1.68 H new ATOM 0 HG2 LYS A 101 -8.175 3.751 12.215 1.00 2.35 H new ATOM 0 HG3 LYS A 101 -7.780 2.045 12.259 1.00 2.35 H new ATOM 0 HD2 LYS A 101 -9.186 2.613 14.184 1.00 2.61 H new ATOM 0 HD3 LYS A 101 -7.594 2.137 14.741 1.00 2.61 H new ATOM 0 HE2 LYS A 101 -6.966 4.566 14.892 1.00 2.79 H new ATOM 0 HE3 LYS A 101 -8.607 4.988 14.442 1.00 2.79 H new ATOM 0 HZ1 LYS A 101 -8.309 5.046 16.824 1.00 3.24 H new ATOM 0 HZ2 LYS A 101 -9.415 3.826 16.407 1.00 3.24 H new ATOM 0 HZ3 LYS A 101 -7.826 3.418 16.843 1.00 3.24 H new ATOM 1667 N ALA A 102 -3.196 3.448 11.315 1.00 1.11 N ATOM 1668 CA ALA A 102 -1.869 4.040 11.302 1.00 1.11 C ATOM 1669 C ALA A 102 -1.548 4.585 9.914 1.00 0.99 C ATOM 1670 O ALA A 102 -0.926 5.643 9.778 1.00 1.28 O ATOM 1671 CB ALA A 102 -0.824 3.017 11.739 1.00 1.22 C ATOM 0 H ALA A 102 -3.204 2.429 11.362 1.00 1.11 H new ATOM 0 HA ALA A 102 -1.848 4.869 12.009 1.00 1.11 H new ATOM 0 HB1 ALA A 102 0.164 3.477 11.724 1.00 1.22 H new ATOM 0 HB2 ALA A 102 -1.049 2.675 12.749 1.00 1.22 H new ATOM 0 HB3 ALA A 102 -0.839 2.167 11.057 1.00 1.22 H new ATOM 1677 N TRP A 103 -2.005 3.876 8.883 1.00 0.97 N ATOM 1678 CA TRP A 103 -1.780 4.304 7.495 1.00 1.01 C ATOM 1679 C TRP A 103 -2.462 5.653 7.252 1.00 0.93 C ATOM 1680 O TRP A 103 -2.067 6.413 6.367 1.00 1.00 O ATOM 1681 CB TRP A 103 -2.268 3.256 6.482 1.00 1.40 C ATOM 1682 CG TRP A 103 -1.484 1.985 6.556 1.00 0.71 C ATOM 1683 CD1 TRP A 103 -1.318 1.226 7.666 1.00 0.69 C ATOM 1684 CD2 TRP A 103 -0.750 1.331 5.507 1.00 0.61 C ATOM 1685 NE1 TRP A 103 -0.545 0.137 7.385 1.00 1.16 N ATOM 1686 CE2 TRP A 103 -0.180 0.186 6.070 1.00 0.92 C ATOM 1687 CE3 TRP A 103 -0.506 1.582 4.157 1.00 0.89 C ATOM 1688 CZ2 TRP A 103 0.600 -0.683 5.339 1.00 1.30 C ATOM 1689 CZ3 TRP A 103 0.297 0.687 3.454 1.00 0.73 C ATOM 1690 CH2 TRP A 103 0.824 -0.409 4.042 1.00 0.98 C ATOM 0 H TRP A 103 -2.531 3.007 8.977 1.00 0.97 H new ATOM 0 HA TRP A 103 -0.706 4.412 7.347 1.00 1.01 H new ATOM 0 HB2 TRP A 103 -3.321 3.041 6.664 1.00 1.40 H new ATOM 0 HB3 TRP A 103 -2.196 3.667 5.475 1.00 1.40 H new ATOM 0 HD1 TRP A 103 -1.738 1.451 8.635 1.00 0.69 H new ATOM 0 HE1 TRP A 103 -0.283 -0.593 8.048 1.00 1.16 H new ATOM 0 HE3 TRP A 103 -0.929 2.448 3.669 1.00 0.89 H new ATOM 0 HZ2 TRP A 103 1.022 -1.565 5.798 1.00 1.30 H new ATOM 0 HZ3 TRP A 103 0.504 0.874 2.411 1.00 0.73 H new ATOM 0 HH2 TRP A 103 1.438 -1.079 3.458 1.00 0.98 H new ATOM 1701 N LEU A 104 -3.463 5.966 8.083 1.00 0.95 N ATOM 1702 CA LEU A 104 -4.161 7.249 7.996 1.00 1.12 C ATOM 1703 C LEU A 104 -3.201 8.369 8.363 1.00 1.10 C ATOM 1704 O LEU A 104 -3.222 9.444 7.778 1.00 1.40 O ATOM 1705 CB LEU A 104 -5.363 7.296 8.945 1.00 1.35 C ATOM 1706 CG LEU A 104 -6.685 6.707 8.435 1.00 1.47 C ATOM 1707 CD1 LEU A 104 -6.501 5.301 7.887 1.00 1.69 C ATOM 1708 CD2 LEU A 104 -7.678 6.675 9.574 1.00 2.27 C ATOM 0 H LEU A 104 -3.805 5.349 8.820 1.00 0.95 H new ATOM 0 HA LEU A 104 -4.521 7.370 6.974 1.00 1.12 H new ATOM 0 HB2 LEU A 104 -5.091 6.771 9.861 1.00 1.35 H new ATOM 0 HB3 LEU A 104 -5.539 8.337 9.215 1.00 1.35 H new ATOM 0 HG LEU A 104 -7.049 7.336 7.623 1.00 1.47 H new ATOM 0 HD11 LEU A 104 -7.460 4.919 7.536 1.00 1.69 H new ATOM 0 HD12 LEU A 104 -5.794 5.323 7.058 1.00 1.69 H new ATOM 0 HD13 LEU A 104 -6.118 4.651 8.674 1.00 1.69 H new ATOM 0 HD21 LEU A 104 -8.622 6.258 9.222 1.00 2.27 H new ATOM 0 HD22 LEU A 104 -7.286 6.056 10.381 1.00 2.27 H new ATOM 0 HD23 LEU A 104 -7.843 7.688 9.941 1.00 2.27 H new ATOM 1720 N ARG A 105 -2.341 8.086 9.335 1.00 1.01 N ATOM 1721 CA ARG A 105 -1.327 9.039 9.784 1.00 1.18 C ATOM 1722 C ARG A 105 -0.206 9.113 8.757 1.00 1.08 C ATOM 1723 O ARG A 105 0.332 10.187 8.465 1.00 1.21 O ATOM 1724 CB ARG A 105 -0.757 8.630 11.154 1.00 1.38 C ATOM 1725 CG ARG A 105 0.232 9.630 11.732 1.00 2.01 C ATOM 1726 CD ARG A 105 -0.470 10.906 12.115 1.00 2.29 C ATOM 1727 NE ARG A 105 0.467 11.980 12.370 1.00 2.86 N ATOM 1728 CZ ARG A 105 0.093 13.205 12.717 1.00 3.68 C ATOM 1729 NH1 ARG A 105 -1.172 13.566 12.559 1.00 4.09 N ATOM 1730 NH2 ARG A 105 1.007 14.138 12.895 1.00 4.52 N ATOM 0 H ARG A 105 -2.325 7.196 9.833 1.00 1.01 H new ATOM 0 HA ARG A 105 -1.793 10.019 9.887 1.00 1.18 H new ATOM 0 HB2 ARG A 105 -1.581 8.501 11.856 1.00 1.38 H new ATOM 0 HB3 ARG A 105 -0.266 7.662 11.058 1.00 1.38 H new ATOM 0 HG2 ARG A 105 0.722 9.201 12.606 1.00 2.01 H new ATOM 0 HG3 ARG A 105 1.012 9.843 11.001 1.00 2.01 H new ATOM 0 HD2 ARG A 105 -1.151 11.200 11.316 1.00 2.29 H new ATOM 0 HD3 ARG A 105 -1.077 10.734 13.004 1.00 2.29 H new ATOM 0 HE ARG A 105 1.464 11.785 12.278 1.00 2.86 H new ATOM 0 HH11 ARG A 105 -1.847 12.905 12.174 1.00 4.09 H new ATOM 0 HH12 ARG A 105 -1.471 14.505 12.822 1.00 4.09 H new ATOM 0 HH21 ARG A 105 1.994 13.916 12.766 1.00 4.52 H new ATOM 0 HH22 ARG A 105 0.727 15.082 13.162 1.00 4.52 H new ATOM 1744 N ASP A 106 0.141 7.947 8.192 1.00 0.95 N ATOM 1745 CA ASP A 106 1.180 7.866 7.182 1.00 0.99 C ATOM 1746 C ASP A 106 0.763 8.675 5.970 1.00 0.96 C ATOM 1747 O ASP A 106 1.448 9.618 5.587 1.00 1.17 O ATOM 1748 CB ASP A 106 1.456 6.412 6.771 1.00 1.09 C ATOM 1749 CG ASP A 106 1.927 5.554 7.932 1.00 1.46 C ATOM 1750 OD1 ASP A 106 2.842 5.985 8.664 1.00 2.18 O ATOM 1751 OD2 ASP A 106 1.414 4.433 8.112 1.00 1.76 O ATOM 0 H ASP A 106 -0.290 7.052 8.425 1.00 0.95 H new ATOM 0 HA ASP A 106 2.100 8.271 7.603 1.00 0.99 H new ATOM 0 HB2 ASP A 106 0.549 5.979 6.350 1.00 1.09 H new ATOM 0 HB3 ASP A 106 2.211 6.398 5.985 1.00 1.09 H new ATOM 1756 N ILE A 107 -0.385 8.324 5.411 1.00 0.92 N ATOM 1757 CA ILE A 107 -0.942 9.005 4.246 1.00 1.04 C ATOM 1758 C ILE A 107 -1.142 10.511 4.512 1.00 1.23 C ATOM 1759 O ILE A 107 -0.937 11.332 3.614 1.00 1.43 O ATOM 1760 CB ILE A 107 -2.303 8.357 3.845 1.00 1.06 C ATOM 1761 CG1 ILE A 107 -2.107 7.315 2.732 1.00 1.18 C ATOM 1762 CG2 ILE A 107 -3.303 9.419 3.402 1.00 1.23 C ATOM 1763 CD1 ILE A 107 -1.392 6.048 3.164 1.00 1.45 C ATOM 0 H ILE A 107 -0.962 7.555 5.753 1.00 0.92 H new ATOM 0 HA ILE A 107 -0.230 8.897 3.428 1.00 1.04 H new ATOM 0 HB ILE A 107 -2.703 7.853 4.725 1.00 1.06 H new ATOM 0 HG12 ILE A 107 -3.084 7.045 2.330 1.00 1.18 H new ATOM 0 HG13 ILE A 107 -1.544 7.774 1.919 1.00 1.18 H new ATOM 0 HG21 ILE A 107 -4.244 8.941 3.128 1.00 1.23 H new ATOM 0 HG22 ILE A 107 -3.476 10.119 4.219 1.00 1.23 H new ATOM 0 HG23 ILE A 107 -2.905 9.957 2.542 1.00 1.23 H new ATOM 0 HD11 ILE A 107 -1.300 5.374 2.313 1.00 1.45 H new ATOM 0 HD12 ILE A 107 -0.399 6.300 3.536 1.00 1.45 H new ATOM 0 HD13 ILE A 107 -1.963 5.559 3.954 1.00 1.45 H new ATOM 1775 N ALA A 108 -1.566 10.840 5.726 1.00 1.25 N ATOM 1776 CA ALA A 108 -1.834 12.215 6.109 1.00 1.52 C ATOM 1777 C ALA A 108 -0.615 13.104 5.989 1.00 1.59 C ATOM 1778 O ALA A 108 -0.715 14.234 5.516 1.00 1.92 O ATOM 1779 CB ALA A 108 -2.352 12.282 7.539 1.00 1.62 C ATOM 0 H ALA A 108 -1.732 10.161 6.469 1.00 1.25 H new ATOM 0 HA ALA A 108 -2.590 12.582 5.415 1.00 1.52 H new ATOM 0 HB1 ALA A 108 -2.547 13.320 7.807 1.00 1.62 H new ATOM 0 HB2 ALA A 108 -3.275 11.707 7.619 1.00 1.62 H new ATOM 0 HB3 ALA A 108 -1.606 11.866 8.216 1.00 1.62 H new ATOM 1785 N GLU A 109 0.528 12.607 6.441 1.00 1.39 N ATOM 1786 CA GLU A 109 1.742 13.406 6.391 1.00 1.50 C ATOM 1787 C GLU A 109 3.020 12.614 6.655 1.00 1.43 C ATOM 1788 O GLU A 109 4.111 13.141 6.435 1.00 1.70 O ATOM 1789 CB GLU A 109 1.664 14.553 7.415 1.00 1.69 C ATOM 1790 CG GLU A 109 1.252 14.104 8.810 1.00 1.73 C ATOM 1791 CD GLU A 109 1.872 14.959 9.896 1.00 2.07 C ATOM 1792 OE1 GLU A 109 3.110 14.943 10.026 1.00 2.40 O ATOM 1793 OE2 GLU A 109 1.125 15.643 10.628 1.00 2.56 O ATOM 0 H GLU A 109 0.639 11.674 6.838 1.00 1.39 H new ATOM 0 HA GLU A 109 1.798 13.784 5.370 1.00 1.50 H new ATOM 0 HB2 GLU A 109 2.636 15.042 7.473 1.00 1.69 H new ATOM 0 HB3 GLU A 109 0.953 15.298 7.058 1.00 1.69 H new ATOM 0 HG2 GLU A 109 0.166 14.143 8.896 1.00 1.73 H new ATOM 0 HG3 GLU A 109 1.546 13.065 8.956 1.00 1.73 H new ATOM 1800 N GLU A 110 2.931 11.383 7.155 1.00 1.49 N ATOM 1801 CA GLU A 110 4.137 10.651 7.445 1.00 1.63 C ATOM 1802 C GLU A 110 4.925 10.346 6.165 1.00 1.78 C ATOM 1803 O GLU A 110 6.150 10.532 6.127 1.00 2.20 O ATOM 1804 CB GLU A 110 3.830 9.413 8.257 1.00 2.09 C ATOM 1805 CG GLU A 110 4.805 9.265 9.410 1.00 2.83 C ATOM 1806 CD GLU A 110 4.319 8.360 10.535 1.00 3.38 C ATOM 1807 OE1 GLU A 110 3.247 8.648 11.115 1.00 3.86 O ATOM 1808 OE2 GLU A 110 5.032 7.392 10.872 1.00 3.86 O ATOM 0 H GLU A 110 2.060 10.893 7.359 1.00 1.49 H new ATOM 0 HA GLU A 110 4.785 11.277 8.058 1.00 1.63 H new ATOM 0 HB2 GLU A 110 2.812 9.469 8.642 1.00 2.09 H new ATOM 0 HB3 GLU A 110 3.881 8.532 7.617 1.00 2.09 H new ATOM 0 HG2 GLU A 110 5.746 8.872 9.025 1.00 2.83 H new ATOM 0 HG3 GLU A 110 5.016 10.253 9.820 1.00 2.83 H new ATOM 1815 N GLN A 111 4.226 9.940 5.115 1.00 1.93 N ATOM 1816 CA GLN A 111 4.862 9.685 3.825 1.00 2.44 C ATOM 1817 C GLN A 111 5.280 11.025 3.182 1.00 2.84 C ATOM 1818 O GLN A 111 4.737 11.449 2.154 1.00 3.22 O ATOM 1819 CB GLN A 111 3.947 8.877 2.894 1.00 2.97 C ATOM 1820 CG GLN A 111 2.544 9.437 2.719 1.00 3.66 C ATOM 1821 CD GLN A 111 1.645 8.535 1.898 1.00 4.54 C ATOM 1822 OE1 GLN A 111 1.397 7.391 2.272 1.00 5.12 O ATOM 1823 NE2 GLN A 111 1.130 9.046 0.794 1.00 5.02 N ATOM 0 H GLN A 111 3.219 9.779 5.128 1.00 1.93 H new ATOM 0 HA GLN A 111 5.754 9.080 3.989 1.00 2.44 H new ATOM 0 HB2 GLN A 111 4.419 8.811 1.914 1.00 2.97 H new ATOM 0 HB3 GLN A 111 3.870 7.860 3.279 1.00 2.97 H new ATOM 0 HG2 GLN A 111 2.096 9.592 3.700 1.00 3.66 H new ATOM 0 HG3 GLN A 111 2.606 10.414 2.239 1.00 3.66 H new ATOM 0 HE21 GLN A 111 1.361 10.000 0.518 1.00 5.02 H new ATOM 0 HE22 GLN A 111 0.502 8.486 0.218 1.00 5.02 H new ATOM 1832 N GLU A 112 6.227 11.690 3.839 1.00 3.29 N ATOM 1833 CA GLU A 112 6.752 12.990 3.437 1.00 4.12 C ATOM 1834 C GLU A 112 7.153 13.055 1.956 1.00 4.19 C ATOM 1835 O GLU A 112 7.089 14.115 1.347 1.00 4.69 O ATOM 1836 CB GLU A 112 7.962 13.336 4.305 1.00 5.03 C ATOM 1837 CG GLU A 112 9.002 12.218 4.344 1.00 5.36 C ATOM 1838 CD GLU A 112 10.186 12.540 5.231 1.00 6.31 C ATOM 1839 OE1 GLU A 112 10.843 13.578 5.015 1.00 6.81 O ATOM 1840 OE2 GLU A 112 10.468 11.751 6.152 1.00 6.83 O ATOM 0 H GLU A 112 6.661 11.329 4.688 1.00 3.29 H new ATOM 0 HA GLU A 112 5.948 13.713 3.577 1.00 4.12 H new ATOM 0 HB2 GLU A 112 8.427 14.246 3.925 1.00 5.03 H new ATOM 0 HB3 GLU A 112 7.626 13.549 5.320 1.00 5.03 H new ATOM 0 HG2 GLU A 112 8.529 11.302 4.698 1.00 5.36 H new ATOM 0 HG3 GLU A 112 9.356 12.024 3.332 1.00 5.36 H new ATOM 1847 N LYS A 113 7.575 11.939 1.388 1.00 3.97 N ATOM 1848 CA LYS A 113 7.988 11.931 -0.012 1.00 4.36 C ATOM 1849 C LYS A 113 6.811 12.246 -0.918 1.00 4.15 C ATOM 1850 O LYS A 113 6.977 12.843 -1.993 1.00 4.65 O ATOM 1851 CB LYS A 113 8.602 10.581 -0.389 1.00 4.79 C ATOM 1852 CG LYS A 113 9.753 10.156 0.505 1.00 5.55 C ATOM 1853 CD LYS A 113 10.690 11.298 0.802 1.00 5.63 C ATOM 1854 CE LYS A 113 11.819 10.874 1.733 1.00 6.48 C ATOM 1855 NZ LYS A 113 12.772 11.981 1.954 1.00 7.06 N ATOM 0 H LYS A 113 7.642 11.038 1.862 1.00 3.97 H new ATOM 0 HA LYS A 113 8.746 12.703 -0.146 1.00 4.36 H new ATOM 0 HB2 LYS A 113 7.825 9.817 -0.352 1.00 4.79 H new ATOM 0 HB3 LYS A 113 8.954 10.628 -1.420 1.00 4.79 H new ATOM 0 HG2 LYS A 113 9.358 9.759 1.440 1.00 5.55 H new ATOM 0 HG3 LYS A 113 10.306 9.349 0.024 1.00 5.55 H new ATOM 0 HD2 LYS A 113 11.110 11.676 -0.130 1.00 5.63 H new ATOM 0 HD3 LYS A 113 10.133 12.117 1.256 1.00 5.63 H new ATOM 0 HE2 LYS A 113 11.405 10.551 2.688 1.00 6.48 H new ATOM 0 HE3 LYS A 113 12.343 10.018 1.307 1.00 6.48 H new ATOM 0 HZ1 LYS A 113 13.530 11.664 2.592 1.00 7.06 H new ATOM 0 HZ2 LYS A 113 13.184 12.272 1.044 1.00 7.06 H new ATOM 0 HZ3 LYS A 113 12.274 12.787 2.382 1.00 7.06 H new ATOM 1869 N TYR A 114 5.619 11.884 -0.482 1.00 3.80 N ATOM 1870 CA TYR A 114 4.417 12.164 -1.251 1.00 4.21 C ATOM 1871 C TYR A 114 4.080 13.647 -1.161 1.00 4.57 C ATOM 1872 O TYR A 114 4.072 14.367 -2.163 1.00 5.17 O ATOM 1873 CB TYR A 114 3.236 11.340 -0.760 1.00 4.58 C ATOM 1874 CG TYR A 114 1.966 11.593 -1.552 1.00 5.45 C ATOM 1875 CD1 TYR A 114 1.906 11.347 -2.927 1.00 5.90 C ATOM 1876 CD2 TYR A 114 0.825 12.084 -0.931 1.00 6.18 C ATOM 1877 CE1 TYR A 114 0.746 11.580 -3.642 1.00 6.94 C ATOM 1878 CE2 TYR A 114 -0.334 12.313 -1.643 1.00 7.17 C ATOM 1879 CZ TYR A 114 -0.367 12.055 -2.992 1.00 7.49 C ATOM 1880 OH TYR A 114 -1.517 12.273 -3.702 1.00 8.62 O ATOM 0 H TYR A 114 5.455 11.396 0.399 1.00 3.80 H new ATOM 0 HA TYR A 114 4.612 11.891 -2.288 1.00 4.21 H new ATOM 0 HB2 TYR A 114 3.489 10.281 -0.819 1.00 4.58 H new ATOM 0 HB3 TYR A 114 3.054 11.567 0.290 1.00 4.58 H new ATOM 0 HD1 TYR A 114 2.779 10.969 -3.438 1.00 5.90 H new ATOM 0 HD2 TYR A 114 0.845 12.290 0.129 1.00 6.18 H new ATOM 0 HE1 TYR A 114 0.715 11.390 -4.705 1.00 6.94 H new ATOM 0 HE2 TYR A 114 -1.212 12.694 -1.142 1.00 7.17 H new ATOM 0 HH TYR A 114 -1.523 11.702 -4.499 1.00 8.62 H new ATOM 1890 N ALA A 115 3.800 14.086 0.060 1.00 4.51 N ATOM 1891 CA ALA A 115 3.460 15.476 0.342 1.00 5.16 C ATOM 1892 C ALA A 115 2.267 15.941 -0.478 1.00 5.46 C ATOM 1893 O ALA A 115 1.160 15.421 -0.325 1.00 5.73 O ATOM 1894 CB ALA A 115 4.669 16.367 0.114 1.00 5.63 C ATOM 0 H ALA A 115 3.802 13.487 0.885 1.00 4.51 H new ATOM 0 HA ALA A 115 3.170 15.548 1.390 1.00 5.16 H new ATOM 0 HB1 ALA A 115 4.403 17.402 0.328 1.00 5.63 H new ATOM 0 HB2 ALA A 115 5.479 16.057 0.774 1.00 5.63 H new ATOM 0 HB3 ALA A 115 4.993 16.282 -0.923 1.00 5.63 H new ATOM 1900 N ALA A 116 2.495 16.917 -1.344 1.00 5.86 N ATOM 1901 CA ALA A 116 1.447 17.451 -2.194 1.00 6.58 C ATOM 1902 C ALA A 116 2.033 18.069 -3.452 1.00 7.22 C ATOM 1903 O ALA A 116 2.539 19.194 -3.421 1.00 7.70 O ATOM 1904 CB ALA A 116 0.629 18.486 -1.443 1.00 7.03 C ATOM 0 H ALA A 116 3.406 17.357 -1.475 1.00 5.86 H new ATOM 0 HA ALA A 116 0.796 16.626 -2.483 1.00 6.58 H new ATOM 0 HB1 ALA A 116 -0.152 18.876 -2.096 1.00 7.03 H new ATOM 0 HB2 ALA A 116 0.173 18.024 -0.567 1.00 7.03 H new ATOM 0 HB3 ALA A 116 1.278 19.302 -1.126 1.00 7.03 H new ATOM 1910 N GLU A 117 1.962 17.327 -4.562 1.00 7.53 N ATOM 1911 CA GLU A 117 2.473 17.811 -5.841 1.00 8.41 C ATOM 1912 C GLU A 117 1.361 18.345 -6.721 1.00 9.09 C ATOM 1913 O GLU A 117 0.182 18.035 -6.520 1.00 9.58 O ATOM 1914 CB GLU A 117 3.220 16.713 -6.593 1.00 8.83 C ATOM 1915 CG GLU A 117 4.707 16.645 -6.298 1.00 9.18 C ATOM 1916 CD GLU A 117 5.448 15.783 -7.299 1.00 9.82 C ATOM 1917 OE1 GLU A 117 5.489 16.145 -8.496 1.00 10.40 O ATOM 1918 OE2 GLU A 117 5.986 14.733 -6.896 1.00 9.94 O ATOM 0 H GLU A 117 1.556 16.392 -4.597 1.00 7.53 H new ATOM 0 HA GLU A 117 3.164 18.623 -5.612 1.00 8.41 H new ATOM 0 HB2 GLU A 117 2.770 15.751 -6.347 1.00 8.83 H new ATOM 0 HB3 GLU A 117 3.082 16.865 -7.663 1.00 8.83 H new ATOM 0 HG2 GLU A 117 5.124 17.652 -6.308 1.00 9.18 H new ATOM 0 HG3 GLU A 117 4.859 16.247 -5.295 1.00 9.18 H new ATOM 1925 N ARG A 118 1.756 19.155 -7.688 1.00 9.35 N ATOM 1926 CA ARG A 118 0.828 19.763 -8.623 1.00 10.23 C ATOM 1927 C ARG A 118 1.360 19.635 -10.047 1.00 10.76 C ATOM 1928 O ARG A 118 0.716 19.058 -10.928 1.00 11.00 O ATOM 1929 CB ARG A 118 0.638 21.243 -8.280 1.00 10.61 C ATOM 1930 CG ARG A 118 -0.005 21.491 -6.926 1.00 11.18 C ATOM 1931 CD ARG A 118 0.129 22.947 -6.488 1.00 11.87 C ATOM 1932 NE ARG A 118 -0.668 23.256 -5.295 1.00 12.16 N ATOM 1933 CZ ARG A 118 -0.520 22.674 -4.103 1.00 12.66 C ATOM 1934 NH1 ARG A 118 0.439 21.773 -3.911 1.00 12.91 N ATOM 1935 NH2 ARG A 118 -1.298 23.035 -3.087 1.00 13.09 N ATOM 0 H ARG A 118 2.731 19.409 -7.846 1.00 9.35 H new ATOM 0 HA ARG A 118 -0.130 19.249 -8.551 1.00 10.23 H new ATOM 0 HB2 ARG A 118 1.609 21.738 -8.305 1.00 10.61 H new ATOM 0 HB3 ARG A 118 0.024 21.707 -9.052 1.00 10.61 H new ATOM 0 HG2 ARG A 118 -1.060 21.221 -6.971 1.00 11.18 H new ATOM 0 HG3 ARG A 118 0.458 20.844 -6.181 1.00 11.18 H new ATOM 0 HD2 ARG A 118 1.177 23.166 -6.286 1.00 11.87 H new ATOM 0 HD3 ARG A 118 -0.181 23.598 -7.305 1.00 11.87 H new ATOM 0 HE ARG A 118 -1.391 23.970 -5.384 1.00 12.16 H new ATOM 0 HH11 ARG A 118 1.065 21.524 -4.676 1.00 12.91 H new ATOM 0 HH12 ARG A 118 0.548 21.331 -2.998 1.00 12.91 H new ATOM 0 HH21 ARG A 118 -2.007 23.756 -3.219 1.00 13.09 H new ATOM 0 HH22 ARG A 118 -1.186 22.591 -2.176 1.00 13.09 H new ATOM 1949 N ASP A 119 2.551 20.181 -10.259 1.00 11.16 N ATOM 1950 CA ASP A 119 3.201 20.131 -11.550 1.00 11.89 C ATOM 1951 C ASP A 119 4.645 19.709 -11.362 1.00 12.21 C ATOM 1952 O ASP A 119 5.510 20.588 -11.156 1.00 0.00 O ATOM 1953 CB ASP A 119 3.135 21.500 -12.229 1.00 12.51 C ATOM 1954 CG ASP A 119 3.702 21.494 -13.634 1.00 13.33 C ATOM 1955 OD1 ASP A 119 3.954 20.402 -14.184 1.00 13.75 O ATOM 1956 OD2 ASP A 119 3.873 22.588 -14.207 1.00 13.70 O ATOM 1957 OXT ASP A 119 4.906 18.494 -11.362 1.00 0.00 O ATOM 0 H ASP A 119 3.087 20.668 -9.540 1.00 11.16 H new ATOM 0 HA ASP A 119 2.690 19.408 -12.186 1.00 11.89 H new ATOM 0 HB2 ASP A 119 2.097 21.832 -12.264 1.00 12.51 H new ATOM 0 HB3 ASP A 119 3.682 22.225 -11.626 1.00 12.51 H new TER 1962 ASP A 119