USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 587 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 46 HIS : no HD1:sc= -2.64! K(o=-2.6!,f=-1.2) USER MOD Set 1.2: A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= -1.02 K(o=-1,f=-2) USER MOD Single : A 13 LYS NZ :NH3+ -151:sc= -0.133 (180deg=-0.678) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0.388 K(o=0.39,f=-2.7!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.0073) USER MOD Single : A 37 TYR OH : rot 83:sc= -1.54 USER MOD Single : A 38 GLN : amide:sc= -0.313 X(o=-0.31,f=0) USER MOD Single : A 39 HIS : no HD1:sc= -0.148 X(o=-0.15,f=-0.026) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -168:sc=-0.00103 (180deg=-0.0866) USER MOD Single : A 59 GLN : amide:sc= -1.98 K(o=-2,f=-7.1!) USER MOD Single : A 60 SER OG : rot 93:sc= 0.116 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot 150:sc= -1.46 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.00716) USER MOD Single : A 76 LYS NZ :NH3+ -126:sc= 1.24 (180deg=-0.483) USER MOD Single : A 78 TYR OH : rot 141:sc= 0.331! USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 10 -2.338 13.330 3.808 1.00 32.30 N ATOM 2 CA ASN A 10 -1.539 12.198 3.355 1.00 25.10 C ATOM 3 C ASN A 10 -1.979 10.911 4.046 1.00 61.10 C ATOM 4 O ASN A 10 -1.912 9.828 3.463 1.00 2.12 O ATOM 5 CB ASN A 10 -0.055 12.453 3.625 1.00 63.30 C ATOM 6 CG ASN A 10 0.443 13.724 2.965 1.00 10.20 C ATOM 7 OD1 ASN A 10 0.858 13.714 1.806 1.00 4.11 O ATOM 8 ND2 ASN A 10 0.403 14.828 3.702 1.00 72.10 N ATOM 0 HA ASN A 10 -1.691 12.084 2.282 1.00 25.10 H new ATOM 0 HB2 ASN A 10 0.110 12.517 4.701 1.00 63.30 H new ATOM 0 HB3 ASN A 10 0.528 11.606 3.263 1.00 63.30 H new ATOM 0 HD21 ASN A 10 0.724 15.714 3.311 1.00 72.10 H new ATOM 0 HD22 ASN A 10 0.051 14.790 4.659 1.00 72.10 H new ATOM 15 N LEU A 11 -2.429 11.037 5.290 1.00 21.20 N ATOM 16 CA LEU A 11 -2.880 9.884 6.060 1.00 60.10 C ATOM 17 C LEU A 11 -4.181 9.326 5.492 1.00 0.41 C ATOM 18 O LEU A 11 -4.305 8.123 5.262 1.00 44.10 O ATOM 19 CB LEU A 11 -3.074 10.268 7.528 1.00 24.30 C ATOM 20 CG LEU A 11 -3.413 9.106 8.462 1.00 70.30 C ATOM 21 CD1 LEU A 11 -2.143 8.461 8.994 1.00 13.30 C ATOM 22 CD2 LEU A 11 -4.290 9.585 9.610 1.00 72.30 C ATOM 0 H LEU A 11 -2.491 11.926 5.786 1.00 21.20 H new ATOM 0 HA LEU A 11 -2.114 9.112 5.992 1.00 60.10 H new ATOM 0 HB2 LEU A 11 -2.163 10.748 7.886 1.00 24.30 H new ATOM 0 HB3 LEU A 11 -3.870 11.009 7.592 1.00 24.30 H new ATOM 0 HG LEU A 11 -3.966 8.358 7.895 1.00 70.30 H new ATOM 0 HD11 LEU A 11 -2.404 7.636 9.657 1.00 13.30 H new ATOM 0 HD12 LEU A 11 -1.550 8.083 8.161 1.00 13.30 H new ATOM 0 HD13 LEU A 11 -1.563 9.201 9.546 1.00 13.30 H new ATOM 0 HD21 LEU A 11 -4.522 8.746 10.265 1.00 72.30 H new ATOM 0 HD22 LEU A 11 -3.761 10.352 10.176 1.00 72.30 H new ATOM 0 HD23 LEU A 11 -5.215 10.001 9.212 1.00 72.30 H new ATOM 34 N GLN A 12 -5.150 10.209 5.269 1.00 20.10 N ATOM 35 CA GLN A 12 -6.442 9.804 4.728 1.00 22.00 C ATOM 36 C GLN A 12 -6.280 9.159 3.355 1.00 14.40 C ATOM 37 O GLN A 12 -7.048 8.274 2.980 1.00 14.50 O ATOM 38 CB GLN A 12 -7.377 11.011 4.629 1.00 75.20 C ATOM 39 CG GLN A 12 -8.851 10.647 4.708 1.00 2.11 C ATOM 40 CD GLN A 12 -9.340 9.926 3.467 1.00 32.20 C ATOM 41 OE1 GLN A 12 -8.946 10.255 2.349 1.00 74.30 O ATOM 42 NE2 GLN A 12 -10.200 8.937 3.660 1.00 52.50 N ATOM 0 H GLN A 12 -5.065 11.208 5.455 1.00 20.10 H new ATOM 0 HA GLN A 12 -6.877 9.069 5.405 1.00 22.00 H new ATOM 0 HB2 GLN A 12 -7.140 11.710 5.431 1.00 75.20 H new ATOM 0 HB3 GLN A 12 -7.189 11.529 3.689 1.00 75.20 H new ATOM 0 HG2 GLN A 12 -9.019 10.016 5.581 1.00 2.11 H new ATOM 0 HG3 GLN A 12 -9.438 11.554 4.852 1.00 2.11 H new ATOM 0 HE21 GLN A 12 -10.499 8.699 4.606 1.00 52.50 H new ATOM 0 HE22 GLN A 12 -10.563 8.414 2.863 1.00 52.50 H new ATOM 51 N LYS A 13 -5.275 9.608 2.611 1.00 43.30 N ATOM 52 CA LYS A 13 -5.011 9.074 1.280 1.00 43.20 C ATOM 53 C LYS A 13 -4.404 7.678 1.364 1.00 10.00 C ATOM 54 O LYS A 13 -4.623 6.841 0.488 1.00 51.40 O ATOM 55 CB LYS A 13 -4.073 10.006 0.510 1.00 31.10 C ATOM 56 CG LYS A 13 -3.849 9.586 -0.933 1.00 74.40 C ATOM 57 CD LYS A 13 -5.113 9.745 -1.762 1.00 41.30 C ATOM 58 CE LYS A 13 -4.801 10.239 -3.165 1.00 50.40 C ATOM 59 NZ LYS A 13 -4.160 11.583 -3.151 1.00 73.10 N ATOM 0 H LYS A 13 -4.630 10.340 2.907 1.00 43.30 H new ATOM 0 HA LYS A 13 -5.960 9.006 0.749 1.00 43.20 H new ATOM 0 HB2 LYS A 13 -4.483 11.016 0.526 1.00 31.10 H new ATOM 0 HB3 LYS A 13 -3.112 10.044 1.022 1.00 31.10 H new ATOM 0 HG2 LYS A 13 -3.050 10.186 -1.368 1.00 74.40 H new ATOM 0 HG3 LYS A 13 -3.521 8.547 -0.964 1.00 74.40 H new ATOM 0 HD2 LYS A 13 -5.634 8.789 -1.819 1.00 41.30 H new ATOM 0 HD3 LYS A 13 -5.786 10.447 -1.270 1.00 41.30 H new ATOM 0 HE2 LYS A 13 -4.142 9.528 -3.662 1.00 50.40 H new ATOM 0 HE3 LYS A 13 -5.721 10.282 -3.748 1.00 50.40 H new ATOM 0 HZ1 LYS A 13 -4.398 12.090 -4.027 1.00 73.10 H new ATOM 0 HZ2 LYS A 13 -4.506 12.124 -2.333 1.00 73.10 H new ATOM 0 HZ3 LYS A 13 -3.128 11.475 -3.083 1.00 73.10 H new ATOM 73 N ALA A 14 -3.640 7.433 2.424 1.00 62.00 N ATOM 74 CA ALA A 14 -3.001 6.138 2.622 1.00 45.20 C ATOM 75 C ALA A 14 -4.019 5.082 3.036 1.00 75.10 C ATOM 76 O ALA A 14 -3.921 3.921 2.636 1.00 43.30 O ATOM 77 CB ALA A 14 -1.899 6.249 3.665 1.00 44.00 C ATOM 0 H ALA A 14 -3.449 8.114 3.158 1.00 62.00 H new ATOM 0 HA ALA A 14 -2.560 5.828 1.674 1.00 45.20 H new ATOM 0 HB1 ALA A 14 -1.430 5.275 3.804 1.00 44.00 H new ATOM 0 HB2 ALA A 14 -1.151 6.968 3.329 1.00 44.00 H new ATOM 0 HB3 ALA A 14 -2.325 6.584 4.611 1.00 44.00 H new ATOM 83 N ILE A 15 -4.996 5.491 3.839 1.00 2.02 N ATOM 84 CA ILE A 15 -6.033 4.579 4.307 1.00 31.40 C ATOM 85 C ILE A 15 -7.073 4.326 3.221 1.00 14.40 C ATOM 86 O ILE A 15 -7.527 3.198 3.033 1.00 14.40 O ATOM 87 CB ILE A 15 -6.739 5.127 5.561 1.00 61.30 C ATOM 88 CG1 ILE A 15 -5.709 5.580 6.597 1.00 75.00 C ATOM 89 CG2 ILE A 15 -7.664 4.073 6.151 1.00 74.20 C ATOM 90 CD1 ILE A 15 -6.289 6.465 7.679 1.00 10.20 C ATOM 0 H ILE A 15 -5.091 6.448 4.179 1.00 2.02 H new ATOM 0 HA ILE A 15 -5.539 3.641 4.559 1.00 31.40 H new ATOM 0 HB ILE A 15 -7.340 5.990 5.273 1.00 61.30 H new ATOM 0 HG12 ILE A 15 -5.260 4.701 7.060 1.00 75.00 H new ATOM 0 HG13 ILE A 15 -4.908 6.118 6.090 1.00 75.00 H new ATOM 0 HG21 ILE A 15 -8.156 4.475 7.037 1.00 74.20 H new ATOM 0 HG22 ILE A 15 -8.416 3.795 5.413 1.00 74.20 H new ATOM 0 HG23 ILE A 15 -7.083 3.193 6.427 1.00 74.20 H new ATOM 0 HD11 ILE A 15 -5.502 6.748 8.378 1.00 10.20 H new ATOM 0 HD12 ILE A 15 -6.713 7.362 7.227 1.00 10.20 H new ATOM 0 HD13 ILE A 15 -7.070 5.923 8.212 1.00 10.20 H new ATOM 102 N ASP A 16 -7.447 5.385 2.509 1.00 61.10 N ATOM 103 CA ASP A 16 -8.434 5.277 1.441 1.00 52.20 C ATOM 104 C ASP A 16 -7.949 4.336 0.344 1.00 5.12 C ATOM 105 O ASP A 16 -8.693 3.474 -0.122 1.00 54.30 O ATOM 106 CB ASP A 16 -8.730 6.658 0.852 1.00 45.10 C ATOM 107 CG ASP A 16 -10.130 6.759 0.295 1.00 73.40 C ATOM 108 OD1 ASP A 16 -11.080 6.855 1.099 1.00 43.40 O ATOM 109 OD2 ASP A 16 -10.280 6.742 -0.945 1.00 51.20 O ATOM 0 H ASP A 16 -7.082 6.326 2.652 1.00 61.10 H new ATOM 0 HA ASP A 16 -9.350 4.866 1.866 1.00 52.20 H new ATOM 0 HB2 ASP A 16 -8.593 7.416 1.624 1.00 45.10 H new ATOM 0 HB3 ASP A 16 -8.011 6.875 0.062 1.00 45.10 H new ATOM 114 N LEU A 17 -6.696 4.508 -0.065 1.00 35.50 N ATOM 115 CA LEU A 17 -6.111 3.674 -1.108 1.00 50.20 C ATOM 116 C LEU A 17 -5.861 2.259 -0.597 1.00 23.30 C ATOM 117 O LEU A 17 -5.985 1.288 -1.343 1.00 63.40 O ATOM 118 CB LEU A 17 -4.801 4.287 -1.606 1.00 23.10 C ATOM 119 CG LEU A 17 -4.962 5.470 -2.562 1.00 32.20 C ATOM 120 CD1 LEU A 17 -3.808 6.448 -2.401 1.00 52.20 C ATOM 121 CD2 LEU A 17 -5.054 4.983 -4.000 1.00 13.40 C ATOM 0 H LEU A 17 -6.067 5.217 0.310 1.00 35.50 H new ATOM 0 HA LEU A 17 -6.818 3.623 -1.936 1.00 50.20 H new ATOM 0 HB2 LEU A 17 -4.219 4.613 -0.744 1.00 23.10 H new ATOM 0 HB3 LEU A 17 -4.222 3.511 -2.107 1.00 23.10 H new ATOM 0 HG LEU A 17 -5.888 5.989 -2.315 1.00 32.20 H new ATOM 0 HD11 LEU A 17 -3.940 7.283 -3.089 1.00 52.20 H new ATOM 0 HD12 LEU A 17 -3.788 6.821 -1.377 1.00 52.20 H new ATOM 0 HD13 LEU A 17 -2.868 5.941 -2.621 1.00 52.20 H new ATOM 0 HD21 LEU A 17 -5.168 5.838 -4.667 1.00 13.40 H new ATOM 0 HD22 LEU A 17 -4.145 4.440 -4.259 1.00 13.40 H new ATOM 0 HD23 LEU A 17 -5.914 4.322 -4.106 1.00 13.40 H new ATOM 133 N ALA A 18 -5.509 2.150 0.680 1.00 10.30 N ATOM 134 CA ALA A 18 -5.242 0.854 1.291 1.00 63.50 C ATOM 135 C ALA A 18 -6.505 0.002 1.346 1.00 22.10 C ATOM 136 O ALA A 18 -6.491 -1.173 0.979 1.00 53.30 O ATOM 137 CB ALA A 18 -4.666 1.038 2.687 1.00 3.10 C ATOM 0 H ALA A 18 -5.402 2.944 1.311 1.00 10.30 H new ATOM 0 HA ALA A 18 -4.511 0.333 0.673 1.00 63.50 H new ATOM 0 HB1 ALA A 18 -4.471 0.062 3.132 1.00 3.10 H new ATOM 0 HB2 ALA A 18 -3.735 1.601 2.625 1.00 3.10 H new ATOM 0 HB3 ALA A 18 -5.379 1.583 3.306 1.00 3.10 H new ATOM 143 N SER A 19 -7.598 0.602 1.807 1.00 35.40 N ATOM 144 CA SER A 19 -8.871 -0.101 1.911 1.00 45.20 C ATOM 145 C SER A 19 -9.373 -0.523 0.533 1.00 71.40 C ATOM 146 O SER A 19 -9.882 -1.630 0.359 1.00 25.00 O ATOM 147 CB SER A 19 -9.913 0.784 2.597 1.00 25.00 C ATOM 148 OG SER A 19 -9.910 0.581 4.000 1.00 24.10 O ATOM 0 H SER A 19 -7.627 1.574 2.115 1.00 35.40 H new ATOM 0 HA SER A 19 -8.714 -0.997 2.512 1.00 45.20 H new ATOM 0 HB2 SER A 19 -9.706 1.831 2.377 1.00 25.00 H new ATOM 0 HB3 SER A 19 -10.902 0.564 2.197 1.00 25.00 H new ATOM 0 HG SER A 19 -10.583 1.159 4.416 1.00 24.10 H new ATOM 154 N LYS A 20 -9.226 0.368 -0.442 1.00 41.00 N ATOM 155 CA LYS A 20 -9.664 0.088 -1.805 1.00 21.30 C ATOM 156 C LYS A 20 -8.794 -0.988 -2.446 1.00 44.10 C ATOM 157 O LYS A 20 -9.266 -1.775 -3.267 1.00 32.30 O ATOM 158 CB LYS A 20 -9.623 1.364 -2.648 1.00 62.30 C ATOM 159 CG LYS A 20 -10.710 1.433 -3.700 1.00 1.21 C ATOM 160 CD LYS A 20 -10.310 0.698 -4.969 1.00 20.40 C ATOM 161 CE LYS A 20 -9.784 1.655 -6.023 1.00 53.30 C ATOM 162 NZ LYS A 20 -10.140 1.220 -7.401 1.00 22.40 N ATOM 0 H LYS A 20 -8.807 1.289 -0.314 1.00 41.00 H new ATOM 0 HA LYS A 20 -10.690 -0.278 -1.763 1.00 21.30 H new ATOM 0 HB2 LYS A 20 -9.712 2.228 -1.989 1.00 62.30 H new ATOM 0 HB3 LYS A 20 -8.651 1.435 -3.137 1.00 62.30 H new ATOM 0 HG2 LYS A 20 -11.629 1.001 -3.303 1.00 1.21 H new ATOM 0 HG3 LYS A 20 -10.924 2.476 -3.935 1.00 1.21 H new ATOM 0 HD2 LYS A 20 -9.546 -0.044 -4.736 1.00 20.40 H new ATOM 0 HD3 LYS A 20 -11.170 0.157 -5.364 1.00 20.40 H new ATOM 0 HE2 LYS A 20 -10.188 2.651 -5.842 1.00 53.30 H new ATOM 0 HE3 LYS A 20 -8.700 1.730 -5.936 1.00 53.30 H new ATOM 0 HZ1 LYS A 20 -9.761 1.902 -8.089 1.00 22.40 H new ATOM 0 HZ2 LYS A 20 -9.733 0.281 -7.585 1.00 22.40 H new ATOM 0 HZ3 LYS A 20 -11.175 1.173 -7.494 1.00 22.40 H new ATOM 176 N ALA A 21 -7.520 -1.016 -2.067 1.00 74.20 N ATOM 177 CA ALA A 21 -6.584 -1.995 -2.605 1.00 54.30 C ATOM 178 C ALA A 21 -6.919 -3.400 -2.117 1.00 63.00 C ATOM 179 O ALA A 21 -6.970 -4.345 -2.904 1.00 30.30 O ATOM 180 CB ALA A 21 -5.158 -1.627 -2.222 1.00 23.30 C ATOM 0 H ALA A 21 -7.113 -0.372 -1.389 1.00 74.20 H new ATOM 0 HA ALA A 21 -6.671 -1.986 -3.692 1.00 54.30 H new ATOM 0 HB1 ALA A 21 -4.469 -2.367 -2.630 1.00 23.30 H new ATOM 0 HB2 ALA A 21 -4.915 -0.644 -2.625 1.00 23.30 H new ATOM 0 HB3 ALA A 21 -5.067 -1.607 -1.136 1.00 23.30 H new ATOM 186 N ALA A 22 -7.147 -3.530 -0.814 1.00 34.10 N ATOM 187 CA ALA A 22 -7.477 -4.820 -0.222 1.00 33.10 C ATOM 188 C ALA A 22 -8.755 -5.391 -0.826 1.00 14.20 C ATOM 189 O ALA A 22 -8.894 -6.605 -0.977 1.00 71.30 O ATOM 190 CB ALA A 22 -7.619 -4.687 1.287 1.00 45.20 C ATOM 0 H ALA A 22 -7.109 -2.758 -0.149 1.00 34.10 H new ATOM 0 HA ALA A 22 -6.663 -5.511 -0.441 1.00 33.10 H new ATOM 0 HB1 ALA A 22 -7.866 -5.658 1.716 1.00 45.20 H new ATOM 0 HB2 ALA A 22 -6.680 -4.331 1.711 1.00 45.20 H new ATOM 0 HB3 ALA A 22 -8.413 -3.977 1.517 1.00 45.20 H new ATOM 196 N GLN A 23 -9.686 -4.508 -1.172 1.00 72.40 N ATOM 197 CA GLN A 23 -10.950 -4.924 -1.761 1.00 34.40 C ATOM 198 C GLN A 23 -10.770 -5.314 -3.224 1.00 3.53 C ATOM 199 O GLN A 23 -11.470 -6.187 -3.735 1.00 22.30 O ATOM 200 CB GLN A 23 -11.980 -3.802 -1.645 1.00 23.40 C ATOM 201 CG GLN A 23 -12.750 -3.816 -0.334 1.00 34.50 C ATOM 202 CD GLN A 23 -14.120 -3.166 -0.452 1.00 4.34 C ATOM 203 OE1 GLN A 23 -14.920 -3.536 -1.306 1.00 33.40 O ATOM 204 NE2 GLN A 23 -14.380 -2.189 0.408 1.00 62.50 N ATOM 0 H GLN A 23 -9.587 -3.500 -1.054 1.00 72.40 H new ATOM 0 HA GLN A 23 -11.307 -5.797 -1.214 1.00 34.40 H new ATOM 0 HB2 GLN A 23 -11.473 -2.843 -1.749 1.00 23.40 H new ATOM 0 HB3 GLN A 23 -12.686 -3.881 -2.472 1.00 23.40 H new ATOM 0 HG2 GLN A 23 -12.869 -4.846 0.002 1.00 34.50 H new ATOM 0 HG3 GLN A 23 -12.170 -3.297 0.429 1.00 34.50 H new ATOM 0 HE21 GLN A 23 -13.681 -1.919 1.100 1.00 62.50 H new ATOM 0 HE22 GLN A 23 -15.279 -1.709 0.377 1.00 62.50 H new ATOM 213 N GLU A 24 -9.826 -4.662 -3.892 1.00 23.30 N ATOM 214 CA GLU A 24 -9.552 -4.941 -5.297 1.00 52.30 C ATOM 215 C GLU A 24 -8.936 -6.326 -5.466 1.00 43.00 C ATOM 216 O GLU A 24 -9.389 -7.122 -6.289 1.00 3.34 O ATOM 217 CB GLU A 24 -8.615 -3.879 -5.876 1.00 61.20 C ATOM 218 CG GLU A 24 -9.316 -2.579 -6.233 1.00 11.00 C ATOM 219 CD GLU A 24 -9.980 -2.630 -7.595 1.00 52.20 C ATOM 220 OE1 GLU A 24 -9.317 -3.057 -8.563 1.00 12.40 O ATOM 221 OE2 GLU A 24 -11.160 -2.243 -7.694 1.00 0.11 O ATOM 0 H GLU A 24 -9.237 -3.936 -3.484 1.00 23.30 H new ATOM 0 HA GLU A 24 -10.498 -4.915 -5.838 1.00 52.30 H new ATOM 0 HB2 GLU A 24 -7.826 -3.670 -5.154 1.00 61.20 H new ATOM 0 HB3 GLU A 24 -8.133 -4.279 -6.768 1.00 61.20 H new ATOM 0 HG2 GLU A 24 -10.067 -2.355 -5.475 1.00 11.00 H new ATOM 0 HG3 GLU A 24 -8.593 -1.764 -6.216 1.00 11.00 H new ATOM 228 N ASP A 25 -7.900 -6.607 -4.682 1.00 32.20 N ATOM 229 CA ASP A 25 -7.222 -7.896 -4.746 1.00 72.10 C ATOM 230 C ASP A 25 -8.139 -9.018 -4.270 1.00 21.40 C ATOM 231 O ASP A 25 -8.129 -10.110 -4.821 1.00 4.31 O ATOM 232 CB ASP A 25 -5.949 -7.869 -3.897 1.00 51.50 C ATOM 233 CG ASP A 25 -5.137 -9.142 -4.032 1.00 60.10 C ATOM 234 OD1 ASP A 25 -5.435 -10.110 -3.309 1.00 35.40 O ATOM 235 OD2 ASP A 25 -4.202 -9.165 -4.860 1.00 62.20 O ATOM 0 H ASP A 25 -7.512 -5.960 -3.996 1.00 32.20 H new ATOM 0 HA ASP A 25 -6.954 -8.086 -5.785 1.00 72.10 H new ATOM 0 HB2 ASP A 25 -5.336 -7.017 -4.193 1.00 51.50 H new ATOM 0 HB3 ASP A 25 -6.216 -7.721 -2.851 1.00 51.50 H new ATOM 240 N LYS A 26 -8.932 -8.731 -3.243 1.00 73.30 N ATOM 241 CA LYS A 26 -9.857 -9.716 -2.692 1.00 50.30 C ATOM 242 C LYS A 26 -10.940 -10.060 -3.701 1.00 41.00 C ATOM 243 O LYS A 26 -11.380 -11.200 -3.786 1.00 21.40 O ATOM 244 CB LYS A 26 -10.480 -9.189 -1.402 1.00 63.20 C ATOM 245 CG LYS A 26 -9.580 -9.307 -0.189 1.00 22.50 C ATOM 246 CD LYS A 26 -9.671 -10.680 0.443 1.00 10.40 C ATOM 247 CE LYS A 26 -9.613 -10.600 1.960 1.00 22.10 C ATOM 248 NZ LYS A 26 -8.895 -11.770 2.549 1.00 32.40 N ATOM 0 H LYS A 26 -8.953 -7.825 -2.775 1.00 73.30 H new ATOM 0 HA LYS A 26 -9.299 -10.625 -2.467 1.00 50.30 H new ATOM 0 HB2 LYS A 26 -10.748 -8.142 -1.542 1.00 63.20 H new ATOM 0 HB3 LYS A 26 -11.405 -9.732 -1.209 1.00 63.20 H new ATOM 0 HG2 LYS A 26 -8.549 -9.108 -0.480 1.00 22.50 H new ATOM 0 HG3 LYS A 26 -9.856 -8.549 0.544 1.00 22.50 H new ATOM 0 HD2 LYS A 26 -10.600 -11.161 0.138 1.00 10.40 H new ATOM 0 HD3 LYS A 26 -8.855 -11.304 0.079 1.00 10.40 H new ATOM 0 HE2 LYS A 26 -9.112 -9.679 2.257 1.00 22.10 H new ATOM 0 HE3 LYS A 26 -10.626 -10.555 2.361 1.00 22.10 H new ATOM 0 HZ1 LYS A 26 -8.876 -11.680 3.585 1.00 32.40 H new ATOM 0 HZ2 LYS A 26 -9.388 -12.648 2.287 1.00 32.40 H new ATOM 0 HZ3 LYS A 26 -7.921 -11.798 2.186 1.00 32.40 H new ATOM 262 N ALA A 27 -11.370 -9.063 -4.464 1.00 75.20 N ATOM 263 CA ALA A 27 -12.410 -9.261 -5.467 1.00 73.40 C ATOM 264 C ALA A 27 -11.870 -10.020 -6.671 1.00 44.20 C ATOM 265 O ALA A 27 -12.530 -10.930 -7.182 1.00 34.40 O ATOM 266 CB ALA A 27 -12.990 -7.922 -5.904 1.00 70.30 C ATOM 0 H ALA A 27 -11.015 -8.109 -4.408 1.00 75.20 H new ATOM 0 HA ALA A 27 -13.204 -9.857 -5.017 1.00 73.40 H new ATOM 0 HB1 ALA A 27 -13.765 -8.088 -6.653 1.00 70.30 H new ATOM 0 HB2 ALA A 27 -13.422 -7.414 -5.042 1.00 70.30 H new ATOM 0 HB3 ALA A 27 -12.199 -7.305 -6.331 1.00 70.30 H new ATOM 272 N GLY A 28 -10.680 -9.650 -7.119 1.00 31.30 N ATOM 273 CA GLY A 28 -10.080 -10.310 -8.260 1.00 14.50 C ATOM 274 C GLY A 28 -9.037 -9.450 -8.943 1.00 32.10 C ATOM 275 O GLY A 28 -8.067 -9.963 -9.501 1.00 52.30 O ATOM 0 H GLY A 28 -10.118 -8.903 -6.712 1.00 31.30 H new ATOM 0 HA2 GLY A 28 -9.621 -11.244 -7.936 1.00 14.50 H new ATOM 0 HA3 GLY A 28 -10.859 -10.570 -8.977 1.00 14.50 H new ATOM 279 N ASN A 29 -9.235 -8.137 -8.899 1.00 11.40 N ATOM 280 CA ASN A 29 -8.303 -7.202 -9.519 1.00 31.30 C ATOM 281 C ASN A 29 -6.981 -7.167 -8.759 1.00 63.30 C ATOM 282 O ASN A 29 -6.931 -6.763 -7.598 1.00 62.30 O ATOM 283 CB ASN A 29 -8.913 -5.799 -9.569 1.00 14.30 C ATOM 284 CG ASN A 29 -10.240 -5.773 -10.290 1.00 21.40 C ATOM 285 OD1 ASN A 29 -10.750 -6.809 -10.720 1.00 3.41 O ATOM 286 ND2 ASN A 29 -10.810 -4.583 -10.430 1.00 31.40 N ATOM 0 H ASN A 29 -10.032 -7.696 -8.441 1.00 11.40 H new ATOM 0 HA ASN A 29 -8.108 -7.543 -10.536 1.00 31.30 H new ATOM 0 HB2 ASN A 29 -9.047 -5.428 -8.553 1.00 14.30 H new ATOM 0 HB3 ASN A 29 -8.219 -5.122 -10.067 1.00 14.30 H new ATOM 0 HD21 ASN A 29 -11.706 -4.500 -10.910 1.00 31.40 H new ATOM 0 HD22 ASN A 29 -10.352 -3.751 -10.058 1.00 31.40 H new ATOM 293 N TYR A 30 -5.912 -7.595 -9.423 1.00 55.30 N ATOM 294 CA TYR A 30 -4.589 -7.613 -8.811 1.00 3.32 C ATOM 295 C TYR A 30 -3.740 -6.450 -9.314 1.00 13.20 C ATOM 296 O TYR A 30 -2.998 -5.833 -8.550 1.00 61.20 O ATOM 297 CB TYR A 30 -3.885 -8.938 -9.106 1.00 30.40 C ATOM 298 CG TYR A 30 -4.230 -10.030 -8.128 1.00 33.20 C ATOM 299 CD1 TYR A 30 -5.540 -10.230 -7.709 1.00 42.30 C ATOM 300 CD2 TYR A 30 -3.246 -10.880 -7.624 1.00 25.30 C ATOM 301 CE1 TYR A 30 -5.858 -11.240 -6.815 1.00 2.22 C ATOM 302 CE2 TYR A 30 -3.557 -11.880 -6.730 1.00 51.10 C ATOM 303 CZ TYR A 30 -4.864 -12.060 -6.329 1.00 43.40 C ATOM 304 OH TYR A 30 -5.177 -13.060 -5.439 1.00 35.30 O ATOM 0 H TYR A 30 -5.936 -7.934 -10.385 1.00 55.30 H new ATOM 0 HA TYR A 30 -4.714 -7.508 -7.733 1.00 3.32 H new ATOM 0 HB2 TYR A 30 -4.149 -9.265 -10.112 1.00 30.40 H new ATOM 0 HB3 TYR A 30 -2.807 -8.778 -9.095 1.00 30.40 H new ATOM 0 HD1 TYR A 30 -6.322 -9.588 -8.086 1.00 42.30 H new ATOM 0 HD2 TYR A 30 -2.221 -10.752 -7.941 1.00 25.30 H new ATOM 0 HE1 TYR A 30 -6.881 -11.383 -6.501 1.00 2.22 H new ATOM 0 HE2 TYR A 30 -2.779 -12.522 -6.344 1.00 51.10 H new ATOM 0 HH TYR A 30 -4.363 -13.548 -5.195 1.00 35.30 H new ATOM 314 N GLU A 31 -3.855 -6.156 -10.600 1.00 13.10 N ATOM 315 CA GLU A 31 -3.098 -5.067 -11.210 1.00 12.50 C ATOM 316 C GLU A 31 -3.436 -3.735 -10.550 1.00 60.10 C ATOM 317 O GLU A 31 -2.545 -2.964 -10.190 1.00 50.00 O ATOM 318 CB GLU A 31 -3.385 -4.991 -12.710 1.00 55.20 C ATOM 319 CG GLU A 31 -2.918 -6.215 -13.480 1.00 21.30 C ATOM 320 CD GLU A 31 -4.059 -7.140 -13.850 1.00 45.10 C ATOM 321 OE1 GLU A 31 -4.943 -6.711 -14.620 1.00 30.00 O ATOM 322 OE2 GLU A 31 -4.069 -8.293 -13.370 1.00 20.30 O ATOM 0 H GLU A 31 -4.466 -6.656 -11.245 1.00 13.10 H new ATOM 0 HA GLU A 31 -2.037 -5.270 -11.061 1.00 12.50 H new ATOM 0 HB2 GLU A 31 -4.457 -4.864 -12.861 1.00 55.20 H new ATOM 0 HB3 GLU A 31 -2.899 -4.106 -13.120 1.00 55.20 H new ATOM 0 HG2 GLU A 31 -2.405 -5.895 -14.387 1.00 21.30 H new ATOM 0 HG3 GLU A 31 -2.191 -6.762 -12.879 1.00 21.30 H new ATOM 329 N GLU A 32 -4.728 -3.472 -10.380 1.00 64.40 N ATOM 330 CA GLU A 32 -5.184 -2.233 -9.768 1.00 14.40 C ATOM 331 C GLU A 32 -4.878 -2.228 -8.274 1.00 40.10 C ATOM 332 O GLU A 32 -4.570 -1.186 -7.696 1.00 64.10 O ATOM 333 CB GLU A 32 -6.686 -2.048 -9.993 1.00 15.40 C ATOM 334 CG GLU A 32 -7.136 -0.598 -9.933 1.00 32.40 C ATOM 335 CD GLU A 32 -7.154 0.064 -11.290 1.00 11.30 C ATOM 336 OE1 GLU A 32 -8.029 -0.287 -12.110 1.00 70.30 O ATOM 337 OE2 GLU A 32 -6.293 0.934 -11.540 1.00 12.30 O ATOM 0 H GLU A 32 -5.478 -4.104 -10.659 1.00 64.40 H new ATOM 0 HA GLU A 32 -4.652 -1.405 -10.237 1.00 14.40 H new ATOM 0 HB2 GLU A 32 -6.953 -2.463 -10.965 1.00 15.40 H new ATOM 0 HB3 GLU A 32 -7.231 -2.620 -9.242 1.00 15.40 H new ATOM 0 HG2 GLU A 32 -8.134 -0.549 -9.496 1.00 32.40 H new ATOM 0 HG3 GLU A 32 -6.471 -0.043 -9.271 1.00 32.40 H new ATOM 344 N ALA A 33 -4.965 -3.400 -7.653 1.00 52.40 N ATOM 345 CA ALA A 33 -4.697 -3.531 -6.226 1.00 51.10 C ATOM 346 C ALA A 33 -3.209 -3.380 -5.931 1.00 54.10 C ATOM 347 O ALA A 33 -2.823 -2.807 -4.912 1.00 45.50 O ATOM 348 CB ALA A 33 -5.205 -4.871 -5.715 1.00 14.30 C ATOM 0 H ALA A 33 -5.219 -4.273 -8.116 1.00 52.40 H new ATOM 0 HA ALA A 33 -5.226 -2.732 -5.707 1.00 51.10 H new ATOM 0 HB1 ALA A 33 -4.998 -4.956 -4.648 1.00 14.30 H new ATOM 0 HB2 ALA A 33 -6.280 -4.941 -5.883 1.00 14.30 H new ATOM 0 HB3 ALA A 33 -4.701 -5.678 -6.247 1.00 14.30 H new ATOM 354 N LEU A 34 -2.377 -3.897 -6.829 1.00 21.40 N ATOM 355 CA LEU A 34 -0.931 -3.819 -6.666 1.00 32.40 C ATOM 356 C LEU A 34 -0.467 -2.367 -6.606 1.00 32.00 C ATOM 357 O LEU A 34 0.197 -1.956 -5.655 1.00 24.50 O ATOM 358 CB LEU A 34 -0.226 -4.545 -7.814 1.00 32.30 C ATOM 359 CG LEU A 34 1.302 -4.486 -7.776 1.00 14.20 C ATOM 360 CD1 LEU A 34 1.835 -5.240 -6.568 1.00 53.30 C ATOM 361 CD2 LEU A 34 1.887 -5.052 -9.061 1.00 30.40 C ATOM 0 H LEU A 34 -2.680 -4.375 -7.678 1.00 21.40 H new ATOM 0 HA LEU A 34 -0.671 -4.304 -5.725 1.00 32.40 H new ATOM 0 HB2 LEU A 34 -0.534 -5.590 -7.806 1.00 32.30 H new ATOM 0 HB3 LEU A 34 -0.568 -4.119 -8.757 1.00 32.30 H new ATOM 0 HG LEU A 34 1.606 -3.443 -7.690 1.00 14.20 H new ATOM 0 HD11 LEU A 34 2.924 -5.187 -6.557 1.00 53.30 H new ATOM 0 HD12 LEU A 34 1.441 -4.791 -5.656 1.00 53.30 H new ATOM 0 HD13 LEU A 34 1.523 -6.283 -6.623 1.00 53.30 H new ATOM 0 HD21 LEU A 34 2.975 -5.003 -9.018 1.00 30.40 H new ATOM 0 HD22 LEU A 34 1.575 -6.090 -9.177 1.00 30.40 H new ATOM 0 HD23 LEU A 34 1.531 -4.469 -9.911 1.00 30.40 H new ATOM 373 N GLN A 35 -0.823 -1.595 -7.628 1.00 54.30 N ATOM 374 CA GLN A 35 -0.445 -0.189 -7.691 1.00 75.40 C ATOM 375 C GLN A 35 -1.010 0.581 -6.502 1.00 73.10 C ATOM 376 O GLN A 35 -0.406 1.544 -6.030 1.00 5.14 O ATOM 377 CB GLN A 35 -0.937 0.435 -8.998 1.00 11.20 C ATOM 378 CG GLN A 35 -0.142 -0.001 -10.210 1.00 10.40 C ATOM 379 CD GLN A 35 -0.395 0.882 -11.420 1.00 61.30 C ATOM 380 OE1 GLN A 35 -0.796 0.404 -12.480 1.00 74.00 O ATOM 381 NE2 GLN A 35 -0.161 2.180 -11.260 1.00 52.40 N ATOM 0 H GLN A 35 -1.373 -1.920 -8.423 1.00 54.30 H new ATOM 0 HA GLN A 35 0.643 -0.130 -7.655 1.00 75.40 H new ATOM 0 HB2 GLN A 35 -1.984 0.172 -9.146 1.00 11.20 H new ATOM 0 HB3 GLN A 35 -0.890 1.521 -8.914 1.00 11.20 H new ATOM 0 HG2 GLN A 35 0.921 0.015 -9.968 1.00 10.40 H new ATOM 0 HG3 GLN A 35 -0.397 -1.032 -10.457 1.00 10.40 H new ATOM 0 HE21 GLN A 35 0.171 2.531 -10.362 1.00 52.40 H new ATOM 0 HE22 GLN A 35 -0.314 2.825 -12.035 1.00 52.40 H new ATOM 390 N LEU A 36 -2.171 0.149 -6.022 1.00 75.40 N ATOM 391 CA LEU A 36 -2.818 0.797 -4.887 1.00 11.10 C ATOM 392 C LEU A 36 -2.086 0.478 -3.588 1.00 40.20 C ATOM 393 O LEU A 36 -1.940 1.337 -2.719 1.00 44.30 O ATOM 394 CB LEU A 36 -4.279 0.355 -4.785 1.00 34.00 C ATOM 395 CG LEU A 36 -5.196 0.886 -5.888 1.00 13.30 C ATOM 396 CD1 LEU A 36 -6.417 -0.006 -6.042 1.00 12.30 C ATOM 397 CD2 LEU A 36 -5.613 2.318 -5.588 1.00 13.00 C ATOM 0 H LEU A 36 -2.683 -0.647 -6.401 1.00 75.40 H new ATOM 0 HA LEU A 36 -2.782 1.875 -5.047 1.00 11.10 H new ATOM 0 HB2 LEU A 36 -4.315 -0.734 -4.797 1.00 34.00 H new ATOM 0 HB3 LEU A 36 -4.673 0.676 -3.821 1.00 34.00 H new ATOM 0 HG LEU A 36 -4.646 0.878 -6.829 1.00 13.30 H new ATOM 0 HD11 LEU A 36 -7.058 0.387 -6.831 1.00 12.30 H new ATOM 0 HD12 LEU A 36 -6.099 -1.016 -6.302 1.00 12.30 H new ATOM 0 HD13 LEU A 36 -6.971 -0.030 -5.103 1.00 12.30 H new ATOM 0 HD21 LEU A 36 -6.265 2.681 -6.382 1.00 13.00 H new ATOM 0 HD22 LEU A 36 -6.146 2.350 -4.638 1.00 13.00 H new ATOM 0 HD23 LEU A 36 -4.727 2.950 -5.529 1.00 13.00 H new ATOM 409 N TYR A 37 -1.627 -0.763 -3.464 1.00 74.20 N ATOM 410 CA TYR A 37 -0.909 -1.197 -2.271 1.00 34.30 C ATOM 411 C TYR A 37 0.357 -0.370 -2.067 1.00 52.30 C ATOM 412 O TYR A 37 0.722 -0.043 -0.938 1.00 60.30 O ATOM 413 CB TYR A 37 -0.552 -2.680 -2.375 1.00 13.40 C ATOM 414 CG TYR A 37 -1.742 -3.602 -2.229 1.00 63.20 C ATOM 415 CD1 TYR A 37 -2.680 -3.403 -1.224 1.00 2.33 C ATOM 416 CD2 TYR A 37 -1.927 -4.671 -3.097 1.00 43.20 C ATOM 417 CE1 TYR A 37 -3.768 -4.243 -1.087 1.00 4.23 C ATOM 418 CE2 TYR A 37 -3.013 -5.515 -2.967 1.00 35.10 C ATOM 419 CZ TYR A 37 -3.930 -5.297 -1.961 1.00 20.30 C ATOM 420 OH TYR A 37 -5.013 -6.136 -1.828 1.00 3.12 O ATOM 0 H TYR A 37 -1.739 -1.486 -4.175 1.00 74.20 H new ATOM 0 HA TYR A 37 -1.562 -1.048 -1.411 1.00 34.30 H new ATOM 0 HB2 TYR A 37 -0.077 -2.864 -3.339 1.00 13.40 H new ATOM 0 HB3 TYR A 37 0.182 -2.923 -1.606 1.00 13.40 H new ATOM 0 HD1 TYR A 37 -2.557 -2.578 -0.538 1.00 2.33 H new ATOM 0 HD2 TYR A 37 -1.210 -4.845 -3.886 1.00 43.20 H new ATOM 0 HE1 TYR A 37 -4.488 -4.075 -0.300 1.00 4.23 H new ATOM 0 HE2 TYR A 37 -3.143 -6.341 -3.650 1.00 35.10 H new ATOM 0 HH TYR A 37 -5.792 -5.738 -2.270 1.00 3.12 H new ATOM 430 N GLN A 38 1.023 -0.036 -3.168 1.00 54.30 N ATOM 431 CA GLN A 38 2.248 0.752 -3.110 1.00 52.30 C ATOM 432 C GLN A 38 1.949 2.194 -2.715 1.00 21.00 C ATOM 433 O GLN A 38 2.691 2.803 -1.944 1.00 12.40 O ATOM 434 CB GLN A 38 2.964 0.720 -4.462 1.00 20.30 C ATOM 435 CG GLN A 38 3.360 -0.678 -4.908 1.00 64.30 C ATOM 436 CD GLN A 38 4.025 -0.690 -6.270 1.00 13.30 C ATOM 437 OE1 GLN A 38 5.228 -0.455 -6.388 1.00 73.10 O ATOM 438 NE2 GLN A 38 3.243 -0.963 -7.308 1.00 23.50 N ATOM 0 H GLN A 38 0.735 -0.299 -4.110 1.00 54.30 H new ATOM 0 HA GLN A 38 2.897 0.313 -2.352 1.00 52.30 H new ATOM 0 HB2 GLN A 38 2.316 1.163 -5.218 1.00 20.30 H new ATOM 0 HB3 GLN A 38 3.858 1.341 -4.405 1.00 20.30 H new ATOM 0 HG2 GLN A 38 4.038 -1.111 -4.173 1.00 64.30 H new ATOM 0 HG3 GLN A 38 2.473 -1.311 -4.935 1.00 64.30 H new ATOM 0 HE21 GLN A 38 2.251 -1.152 -7.164 1.00 23.50 H new ATOM 0 HE22 GLN A 38 3.634 -0.984 -8.250 1.00 23.50 H new ATOM 447 N HIS A 39 0.858 2.735 -3.248 1.00 35.40 N ATOM 448 CA HIS A 39 0.461 4.106 -2.950 1.00 41.00 C ATOM 449 C HIS A 39 0.190 4.283 -1.459 1.00 74.30 C ATOM 450 O HIS A 39 0.612 5.268 -0.854 1.00 34.20 O ATOM 451 CB HIS A 39 -0.783 4.485 -3.755 1.00 13.10 C ATOM 452 CG HIS A 39 -0.472 5.088 -5.089 1.00 53.50 C ATOM 453 ND1 HIS A 39 -1.415 5.731 -5.863 1.00 21.30 N ATOM 454 CD2 HIS A 39 0.687 5.145 -5.788 1.00 72.20 C ATOM 455 CE1 HIS A 39 -0.850 6.156 -6.980 1.00 34.10 C ATOM 456 NE2 HIS A 39 0.424 5.813 -6.958 1.00 50.30 N ATOM 0 H HIS A 39 0.233 2.245 -3.888 1.00 35.40 H new ATOM 0 HA HIS A 39 1.282 4.765 -3.232 1.00 41.00 H new ATOM 0 HB2 HIS A 39 -1.396 3.596 -3.902 1.00 13.10 H new ATOM 0 HB3 HIS A 39 -1.379 5.191 -3.176 1.00 13.10 H new ATOM 0 HD2 HIS A 39 1.640 4.740 -5.482 1.00 72.20 H new ATOM 0 HE1 HIS A 39 -1.346 6.692 -7.775 1.00 34.10 H new ATOM 0 HE2 HIS A 39 1.104 6.012 -7.692 1.00 50.30 H new ATOM 465 N ALA A 40 -0.515 3.321 -0.874 1.00 31.40 N ATOM 466 CA ALA A 40 -0.842 3.371 0.546 1.00 63.30 C ATOM 467 C ALA A 40 0.421 3.406 1.399 1.00 62.00 C ATOM 468 O ALA A 40 0.526 4.195 2.338 1.00 42.50 O ATOM 469 CB ALA A 40 -1.707 2.179 0.930 1.00 55.10 C ATOM 0 H ALA A 40 -0.871 2.498 -1.361 1.00 31.40 H new ATOM 0 HA ALA A 40 -1.401 4.288 0.733 1.00 63.30 H new ATOM 0 HB1 ALA A 40 -1.944 2.229 1.993 1.00 55.10 H new ATOM 0 HB2 ALA A 40 -2.630 2.198 0.351 1.00 55.10 H new ATOM 0 HB3 ALA A 40 -1.167 1.255 0.721 1.00 55.10 H new ATOM 475 N VAL A 41 1.378 2.546 1.067 1.00 4.12 N ATOM 476 CA VAL A 41 2.635 2.480 1.802 1.00 51.30 C ATOM 477 C VAL A 41 3.425 3.776 1.656 1.00 30.40 C ATOM 478 O VAL A 41 4.093 4.216 2.591 1.00 25.20 O ATOM 479 CB VAL A 41 3.506 1.303 1.323 1.00 41.10 C ATOM 480 CG1 VAL A 41 4.738 1.155 2.203 1.00 53.40 C ATOM 481 CG2 VAL A 41 2.699 0.012 1.302 1.00 34.50 C ATOM 0 H VAL A 41 1.307 1.885 0.293 1.00 4.12 H new ATOM 0 HA VAL A 41 2.380 2.329 2.851 1.00 51.30 H new ATOM 0 HB VAL A 41 3.838 1.513 0.306 1.00 41.10 H new ATOM 0 HG11 VAL A 41 5.340 0.318 1.848 1.00 53.40 H new ATOM 0 HG12 VAL A 41 5.328 2.071 2.160 1.00 53.40 H new ATOM 0 HG13 VAL A 41 4.430 0.970 3.232 1.00 53.40 H new ATOM 0 HG21 VAL A 41 3.332 -0.807 0.961 1.00 34.50 H new ATOM 0 HG22 VAL A 41 2.334 -0.205 2.306 1.00 34.50 H new ATOM 0 HG23 VAL A 41 1.853 0.123 0.624 1.00 34.50 H new ATOM 491 N GLN A 42 3.344 4.382 0.476 1.00 51.40 N ATOM 492 CA GLN A 42 4.052 5.628 0.206 1.00 31.00 C ATOM 493 C GLN A 42 3.551 6.746 1.116 1.00 15.10 C ATOM 494 O GLN A 42 4.341 7.441 1.754 1.00 74.10 O ATOM 495 CB GLN A 42 3.879 6.031 -1.259 1.00 41.40 C ATOM 496 CG GLN A 42 4.811 5.294 -2.207 1.00 73.50 C ATOM 497 CD GLN A 42 5.340 6.185 -3.314 1.00 31.40 C ATOM 498 OE1 GLN A 42 4.646 6.453 -4.295 1.00 13.00 O ATOM 499 NE2 GLN A 42 6.575 6.648 -3.162 1.00 31.10 N ATOM 0 H GLN A 42 2.795 4.030 -0.309 1.00 51.40 H new ATOM 0 HA GLN A 42 5.111 5.466 0.408 1.00 31.00 H new ATOM 0 HB2 GLN A 42 2.848 5.845 -1.559 1.00 41.40 H new ATOM 0 HB3 GLN A 42 4.050 7.103 -1.355 1.00 41.40 H new ATOM 0 HG2 GLN A 42 5.649 4.886 -1.642 1.00 73.50 H new ATOM 0 HG3 GLN A 42 4.282 4.449 -2.647 1.00 73.50 H new ATOM 0 HE21 GLN A 42 7.114 6.400 -2.332 1.00 31.10 H new ATOM 0 HE22 GLN A 42 6.985 7.252 -3.875 1.00 31.10 H new ATOM 508 N TYR A 43 2.234 6.912 1.169 1.00 23.00 N ATOM 509 CA TYR A 43 1.627 7.946 2.001 1.00 60.00 C ATOM 510 C TYR A 43 1.734 7.586 3.479 1.00 42.00 C ATOM 511 O TYR A 43 1.942 8.455 4.326 1.00 45.40 O ATOM 512 CB TYR A 43 0.160 8.143 1.616 1.00 71.00 C ATOM 513 CG TYR A 43 -0.041 8.529 0.168 1.00 62.20 C ATOM 514 CD1 TYR A 43 0.425 9.744 -0.317 1.00 72.00 C ATOM 515 CD2 TYR A 43 -0.697 7.678 -0.713 1.00 3.20 C ATOM 516 CE1 TYR A 43 0.243 10.101 -1.640 1.00 40.30 C ATOM 517 CE2 TYR A 43 -0.882 8.028 -2.037 1.00 33.40 C ATOM 518 CZ TYR A 43 -0.411 9.240 -2.496 1.00 55.10 C ATOM 519 OH TYR A 43 -0.593 9.591 -3.813 1.00 74.50 O ATOM 0 H TYR A 43 1.566 6.345 0.647 1.00 23.00 H new ATOM 0 HA TYR A 43 2.167 8.878 1.833 1.00 60.00 H new ATOM 0 HB2 TYR A 43 -0.386 7.221 1.816 1.00 71.00 H new ATOM 0 HB3 TYR A 43 -0.273 8.915 2.252 1.00 71.00 H new ATOM 0 HD1 TYR A 43 0.938 10.421 0.350 1.00 72.00 H new ATOM 0 HD2 TYR A 43 -1.068 6.728 -0.357 1.00 3.20 H new ATOM 0 HE1 TYR A 43 0.611 11.050 -2.002 1.00 40.30 H new ATOM 0 HE2 TYR A 43 -1.393 7.355 -2.709 1.00 33.40 H new ATOM 0 HH TYR A 43 -1.070 8.874 -4.280 1.00 74.50 H new ATOM 529 N PHE A 44 1.590 6.301 3.782 1.00 52.50 N ATOM 530 CA PHE A 44 1.670 5.826 5.159 1.00 12.10 C ATOM 531 C PHE A 44 3.034 6.142 5.764 1.00 30.10 C ATOM 532 O PHE A 44 3.126 6.790 6.807 1.00 11.30 O ATOM 533 CB PHE A 44 1.410 4.320 5.217 1.00 25.30 C ATOM 534 CG PHE A 44 -0.045 3.966 5.328 1.00 44.30 C ATOM 535 CD1 PHE A 44 -0.864 4.622 6.233 1.00 60.10 C ATOM 536 CD2 PHE A 44 -0.594 2.976 4.529 1.00 11.10 C ATOM 537 CE1 PHE A 44 -2.204 4.299 6.337 1.00 45.30 C ATOM 538 CE2 PHE A 44 -1.933 2.648 4.629 1.00 34.40 C ATOM 539 CZ PHE A 44 -2.739 3.310 5.535 1.00 1.42 C ATOM 0 H PHE A 44 1.417 5.569 3.093 1.00 52.50 H new ATOM 0 HA PHE A 44 0.906 6.342 5.740 1.00 12.10 H new ATOM 0 HB2 PHE A 44 1.822 3.854 4.322 1.00 25.30 H new ATOM 0 HB3 PHE A 44 1.944 3.900 6.069 1.00 25.30 H new ATOM 0 HD1 PHE A 44 -0.451 5.395 6.864 1.00 60.10 H new ATOM 0 HD2 PHE A 44 0.032 2.455 3.820 1.00 11.10 H new ATOM 0 HE1 PHE A 44 -2.832 4.820 7.045 1.00 45.30 H new ATOM 0 HE2 PHE A 44 -2.349 1.875 4.000 1.00 34.40 H new ATOM 0 HZ PHE A 44 -3.785 3.055 5.616 1.00 1.42 H new ATOM 549 N LEU A 45 4.090 5.681 5.103 1.00 15.30 N ATOM 550 CA LEU A 45 5.450 5.915 5.577 1.00 34.30 C ATOM 551 C LEU A 45 5.752 7.408 5.648 1.00 43.30 C ATOM 552 O LEU A 45 6.522 7.856 6.497 1.00 2.35 O ATOM 553 CB LEU A 45 6.458 5.222 4.658 1.00 11.30 C ATOM 554 CG LEU A 45 6.343 3.698 4.602 1.00 45.20 C ATOM 555 CD1 LEU A 45 7.330 3.125 3.597 1.00 53.20 C ATOM 556 CD2 LEU A 45 6.573 3.097 5.980 1.00 35.20 C ATOM 0 H LEU A 45 4.031 5.144 4.238 1.00 15.30 H new ATOM 0 HA LEU A 45 5.536 5.498 6.580 1.00 34.30 H new ATOM 0 HB2 LEU A 45 6.338 5.617 3.649 1.00 11.30 H new ATOM 0 HB3 LEU A 45 7.464 5.483 4.985 1.00 11.30 H new ATOM 0 HG LEU A 45 5.335 3.439 4.278 1.00 45.20 H new ATOM 0 HD11 LEU A 45 7.234 2.040 3.571 1.00 53.20 H new ATOM 0 HD12 LEU A 45 7.120 3.532 2.608 1.00 53.20 H new ATOM 0 HD13 LEU A 45 8.345 3.392 3.891 1.00 53.20 H new ATOM 0 HD21 LEU A 45 6.488 2.012 5.923 1.00 35.20 H new ATOM 0 HD22 LEU A 45 7.569 3.364 6.332 1.00 35.20 H new ATOM 0 HD23 LEU A 45 5.827 3.483 6.675 1.00 35.20 H new ATOM 568 N HIS A 46 5.139 8.174 4.752 1.00 20.20 N ATOM 569 CA HIS A 46 5.342 9.618 4.714 1.00 0.15 C ATOM 570 C HIS A 46 4.890 10.266 6.018 1.00 62.20 C ATOM 571 O HIS A 46 5.495 11.229 6.487 1.00 12.40 O ATOM 572 CB HIS A 46 4.581 10.230 3.536 1.00 64.30 C ATOM 573 CG HIS A 46 4.799 11.704 3.384 1.00 54.30 C ATOM 574 ND1 HIS A 46 5.727 12.242 2.517 1.00 54.50 N ATOM 575 CD2 HIS A 46 4.203 12.755 3.994 1.00 43.50 C ATOM 576 CE1 HIS A 46 5.692 13.560 2.602 1.00 44.40 C ATOM 577 NE2 HIS A 46 4.775 13.897 3.490 1.00 4.40 N ATOM 0 H HIS A 46 4.498 7.819 4.043 1.00 20.20 H new ATOM 0 HA HIS A 46 6.408 9.806 4.587 1.00 0.15 H new ATOM 0 HB2 HIS A 46 4.886 9.729 2.617 1.00 64.30 H new ATOM 0 HB3 HIS A 46 3.515 10.040 3.664 1.00 64.30 H new ATOM 0 HD2 HIS A 46 3.423 12.705 4.739 1.00 43.50 H new ATOM 0 HE1 HIS A 46 6.309 14.246 2.040 1.00 44.40 H new ATOM 0 HE2 HIS A 46 4.531 14.850 3.758 1.00 4.40 H new ATOM 586 N VAL A 47 3.821 9.730 6.600 1.00 54.50 N ATOM 587 CA VAL A 47 3.288 10.256 7.850 1.00 52.20 C ATOM 588 C VAL A 47 4.156 9.843 9.034 1.00 2.33 C ATOM 589 O VAL A 47 4.580 10.683 9.828 1.00 10.20 O ATOM 590 CB VAL A 47 1.846 9.773 8.094 1.00 13.40 C ATOM 591 CG1 VAL A 47 1.238 10.486 9.292 1.00 45.40 C ATOM 592 CG2 VAL A 47 0.995 9.983 6.850 1.00 33.40 C ATOM 0 H VAL A 47 3.308 8.932 6.225 1.00 54.50 H new ATOM 0 HA VAL A 47 3.290 11.342 7.762 1.00 52.20 H new ATOM 0 HB VAL A 47 1.872 8.705 8.312 1.00 13.40 H new ATOM 0 HG11 VAL A 47 0.219 10.131 9.448 1.00 45.40 H new ATOM 0 HG12 VAL A 47 1.835 10.278 10.180 1.00 45.40 H new ATOM 0 HG13 VAL A 47 1.224 11.560 9.107 1.00 45.40 H new ATOM 0 HG21 VAL A 47 -0.020 9.636 7.041 1.00 33.40 H new ATOM 0 HG22 VAL A 47 0.975 11.043 6.598 1.00 33.40 H new ATOM 0 HG23 VAL A 47 1.420 9.420 6.019 1.00 33.40 H new ATOM 602 N VAL A 48 4.416 8.545 9.147 1.00 11.40 N ATOM 603 CA VAL A 48 5.234 8.021 10.235 1.00 52.40 C ATOM 604 C VAL A 48 6.634 8.626 10.210 1.00 44.10 C ATOM 605 O VAL A 48 7.229 8.880 11.257 1.00 51.40 O ATOM 606 CB VAL A 48 5.349 6.487 10.163 1.00 12.40 C ATOM 607 CG1 VAL A 48 6.032 5.943 11.408 1.00 70.10 C ATOM 608 CG2 VAL A 48 3.977 5.857 9.980 1.00 53.20 C ATOM 0 H VAL A 48 4.072 7.836 8.499 1.00 11.40 H new ATOM 0 HA VAL A 48 4.738 8.297 11.165 1.00 52.40 H new ATOM 0 HB VAL A 48 5.961 6.227 9.299 1.00 12.40 H new ATOM 0 HG11 VAL A 48 6.104 4.858 11.339 1.00 70.10 H new ATOM 0 HG12 VAL A 48 7.032 6.369 11.490 1.00 70.10 H new ATOM 0 HG13 VAL A 48 5.450 6.212 12.289 1.00 70.10 H new ATOM 0 HG21 VAL A 48 4.078 4.773 9.931 1.00 53.20 H new ATOM 0 HG22 VAL A 48 3.339 6.124 10.822 1.00 53.20 H new ATOM 0 HG23 VAL A 48 3.530 6.222 9.055 1.00 53.20 H new ATOM 618 N LYS A 49 7.153 8.854 9.008 1.00 51.30 N ATOM 619 CA LYS A 49 8.483 9.429 8.847 1.00 14.00 C ATOM 620 C LYS A 49 8.476 10.918 9.175 1.00 22.20 C ATOM 621 O LYS A 49 9.410 11.434 9.789 1.00 75.00 O ATOM 622 CB LYS A 49 8.986 9.212 7.418 1.00 32.20 C ATOM 623 CG LYS A 49 10.496 9.315 7.283 1.00 25.20 C ATOM 624 CD LYS A 49 10.902 9.739 5.881 1.00 44.20 C ATOM 625 CE LYS A 49 11.090 11.244 5.786 1.00 23.30 C ATOM 626 NZ LYS A 49 12.098 11.615 4.754 1.00 13.40 N ATOM 0 H LYS A 49 6.673 8.649 8.132 1.00 51.30 H new ATOM 0 HA LYS A 49 9.155 8.926 9.542 1.00 14.00 H new ATOM 0 HB2 LYS A 49 8.665 8.229 7.074 1.00 32.20 H new ATOM 0 HB3 LYS A 49 8.520 9.947 6.762 1.00 32.20 H new ATOM 0 HG2 LYS A 49 10.879 10.034 8.007 1.00 25.20 H new ATOM 0 HG3 LYS A 49 10.950 8.353 7.519 1.00 25.20 H new ATOM 0 HD2 LYS A 49 11.829 9.237 5.602 1.00 44.20 H new ATOM 0 HD3 LYS A 49 10.141 9.421 5.169 1.00 44.20 H new ATOM 0 HE2 LYS A 49 10.136 11.714 5.547 1.00 23.30 H new ATOM 0 HE3 LYS A 49 11.403 11.632 6.755 1.00 23.30 H new ATOM 0 HZ1 LYS A 49 12.196 12.650 4.721 1.00 13.40 H new ATOM 0 HZ2 LYS A 49 13.015 11.188 4.995 1.00 13.40 H new ATOM 0 HZ3 LYS A 49 11.787 11.267 3.824 1.00 13.40 H new ATOM 640 N TYR A 50 7.416 11.604 8.761 1.00 22.10 N ATOM 641 CA TYR A 50 7.286 13.035 9.011 1.00 75.20 C ATOM 642 C TYR A 50 6.784 13.297 10.428 1.00 55.30 C ATOM 643 O TYR A 50 7.543 13.728 11.296 1.00 73.20 O ATOM 644 CB TYR A 50 6.334 13.668 7.995 1.00 45.50 C ATOM 645 CG TYR A 50 6.965 13.914 6.644 1.00 70.20 C ATOM 646 CD1 TYR A 50 7.643 12.901 5.978 1.00 11.30 C ATOM 647 CD2 TYR A 50 6.883 15.159 6.034 1.00 25.40 C ATOM 648 CE1 TYR A 50 8.222 13.122 4.742 1.00 23.10 C ATOM 649 CE2 TYR A 50 7.459 15.388 4.798 1.00 45.50 C ATOM 650 CZ TYR A 50 8.127 14.367 4.157 1.00 25.10 C ATOM 651 OH TYR A 50 8.701 14.591 2.927 1.00 45.20 O ATOM 0 H TYR A 50 6.635 11.192 8.251 1.00 22.10 H new ATOM 0 HA TYR A 50 8.272 13.487 8.905 1.00 75.20 H new ATOM 0 HB2 TYR A 50 5.467 13.019 7.869 1.00 45.50 H new ATOM 0 HB3 TYR A 50 5.968 14.614 8.393 1.00 45.50 H new ATOM 0 HD1 TYR A 50 7.719 11.925 6.433 1.00 11.30 H new ATOM 0 HD2 TYR A 50 6.361 15.962 6.533 1.00 25.40 H new ATOM 0 HE1 TYR A 50 8.746 12.324 4.237 1.00 23.10 H new ATOM 0 HE2 TYR A 50 7.386 16.362 4.337 1.00 45.50 H new ATOM 0 HH TYR A 50 8.542 15.519 2.656 1.00 45.20 H new ATOM 661 N GLU A 51 5.502 13.033 10.654 1.00 2.34 N ATOM 662 CA GLU A 51 4.898 13.240 11.965 1.00 33.00 C ATOM 663 C GLU A 51 3.610 12.435 12.104 1.00 41.30 C ATOM 664 O GLU A 51 2.547 12.863 11.654 1.00 71.30 O ATOM 665 CB GLU A 51 4.612 14.726 12.189 1.00 54.20 C ATOM 666 CG GLU A 51 3.857 15.379 11.043 1.00 1.41 C ATOM 667 CD GLU A 51 3.825 16.891 11.153 1.00 14.40 C ATOM 668 OE1 GLU A 51 2.965 17.414 11.894 1.00 73.30 O ATOM 669 OE2 GLU A 51 4.658 17.552 10.499 1.00 41.50 O ATOM 0 H GLU A 51 4.861 12.675 9.946 1.00 2.34 H new ATOM 0 HA GLU A 51 5.603 12.895 12.721 1.00 33.00 H new ATOM 0 HB2 GLU A 51 4.035 14.842 13.106 1.00 54.20 H new ATOM 0 HB3 GLU A 51 5.556 15.251 12.337 1.00 54.20 H new ATOM 0 HG2 GLU A 51 4.322 15.097 10.099 1.00 1.41 H new ATOM 0 HG3 GLU A 51 2.836 14.998 11.022 1.00 1.41 H new ATOM 676 N ALA A 52 3.713 11.267 12.731 1.00 32.00 N ATOM 677 CA ALA A 52 2.556 10.403 12.929 1.00 65.30 C ATOM 678 C ALA A 52 1.642 10.951 14.020 1.00 13.10 C ATOM 679 O ALA A 52 1.881 12.031 14.559 1.00 51.40 O ATOM 680 CB ALA A 52 3.006 8.991 13.276 1.00 61.30 C ATOM 0 H ALA A 52 4.585 10.898 13.110 1.00 32.00 H new ATOM 0 HA ALA A 52 1.991 10.375 11.998 1.00 65.30 H new ATOM 0 HB1 ALA A 52 2.132 8.356 13.421 1.00 61.30 H new ATOM 0 HB2 ALA A 52 3.613 8.592 12.463 1.00 61.30 H new ATOM 0 HB3 ALA A 52 3.596 9.012 14.192 1.00 61.30 H new ATOM 686 N GLN A 53 0.594 10.199 14.340 1.00 10.30 N ATOM 687 CA GLN A 53 -0.356 10.609 15.367 1.00 74.40 C ATOM 688 C GLN A 53 0.173 10.284 16.760 1.00 24.40 C ATOM 689 O GLN A 53 0.173 11.136 17.649 1.00 21.20 O ATOM 690 CB GLN A 53 -1.705 9.921 15.148 1.00 33.20 C ATOM 691 CG GLN A 53 -2.171 9.943 13.701 1.00 21.00 C ATOM 692 CD GLN A 53 -2.636 11.317 13.260 1.00 32.10 C ATOM 693 OE1 GLN A 53 -3.506 11.922 13.886 1.00 11.00 O ATOM 694 NE2 GLN A 53 -2.056 11.817 12.175 1.00 75.40 N ATOM 0 H GLN A 53 0.381 9.302 13.903 1.00 10.30 H new ATOM 0 HA GLN A 53 -0.490 11.688 15.292 1.00 74.40 H new ATOM 0 HB2 GLN A 53 -1.634 8.886 15.483 1.00 33.20 H new ATOM 0 HB3 GLN A 53 -2.457 10.407 15.771 1.00 33.20 H new ATOM 0 HG2 GLN A 53 -1.356 9.615 13.056 1.00 21.00 H new ATOM 0 HG3 GLN A 53 -2.985 9.230 13.574 1.00 21.00 H new ATOM 0 HE21 GLN A 53 -1.339 11.280 11.687 1.00 75.40 H new ATOM 0 HE22 GLN A 53 -2.328 12.738 11.830 1.00 75.40 H new ATOM 703 N GLY A 54 0.623 9.047 16.942 1.00 63.20 N ATOM 704 CA GLY A 54 1.149 8.632 18.229 1.00 31.00 C ATOM 705 C GLY A 54 1.796 7.262 18.177 1.00 64.30 C ATOM 706 O GLY A 54 1.979 6.695 17.100 1.00 24.50 O ATOM 0 H GLY A 54 0.633 8.325 16.222 1.00 63.20 H new ATOM 0 HA2 GLY A 54 1.881 9.363 18.572 1.00 31.00 H new ATOM 0 HA3 GLY A 54 0.342 8.622 18.962 1.00 31.00 H new ATOM 710 N ASP A 55 2.142 6.728 19.344 1.00 70.50 N ATOM 711 CA ASP A 55 2.772 5.416 19.427 1.00 14.20 C ATOM 712 C ASP A 55 1.864 4.338 18.845 1.00 30.30 C ATOM 713 O ASP A 55 2.272 3.572 17.973 1.00 73.10 O ATOM 714 CB ASP A 55 3.113 5.082 20.881 1.00 22.30 C ATOM 715 CG ASP A 55 4.417 4.320 21.008 1.00 34.40 C ATOM 716 OD1 ASP A 55 5.381 4.669 20.295 1.00 42.20 O ATOM 717 OD2 ASP A 55 4.475 3.374 21.822 1.00 43.30 O ATOM 0 H ASP A 55 1.997 7.184 20.245 1.00 70.50 H new ATOM 0 HA ASP A 55 3.692 5.445 18.843 1.00 14.20 H new ATOM 0 HB2 ASP A 55 3.177 6.005 21.458 1.00 22.30 H new ATOM 0 HB3 ASP A 55 2.306 4.491 21.314 1.00 22.30 H new ATOM 722 N LYS A 56 0.629 4.285 19.335 1.00 14.10 N ATOM 723 CA LYS A 56 -0.338 3.300 18.863 1.00 61.40 C ATOM 724 C LYS A 56 -0.598 3.465 17.369 1.00 73.40 C ATOM 725 O LYS A 56 -0.874 2.494 16.666 1.00 40.10 O ATOM 726 CB LYS A 56 -1.650 3.432 19.638 1.00 51.30 C ATOM 727 CG LYS A 56 -1.526 3.074 21.110 1.00 4.22 C ATOM 728 CD LYS A 56 -2.466 3.906 21.967 1.00 50.30 C ATOM 729 CE LYS A 56 -3.881 3.351 21.940 1.00 64.10 C ATOM 730 NZ LYS A 56 -4.902 4.427 22.068 1.00 50.10 N ATOM 0 H LYS A 56 0.275 4.912 20.058 1.00 14.10 H new ATOM 0 HA LYS A 56 0.079 2.307 19.033 1.00 61.40 H new ATOM 0 HB2 LYS A 56 -2.012 4.456 19.551 1.00 51.30 H new ATOM 0 HB3 LYS A 56 -2.400 2.789 19.178 1.00 51.30 H new ATOM 0 HG2 LYS A 56 -1.747 2.016 21.248 1.00 4.22 H new ATOM 0 HG3 LYS A 56 -0.498 3.230 21.438 1.00 4.22 H new ATOM 0 HD2 LYS A 56 -2.102 3.927 22.994 1.00 50.30 H new ATOM 0 HD3 LYS A 56 -2.471 4.936 21.610 1.00 50.30 H new ATOM 0 HE2 LYS A 56 -4.040 2.808 21.008 1.00 64.10 H new ATOM 0 HE3 LYS A 56 -4.005 2.634 22.752 1.00 64.10 H new ATOM 0 HZ1 LYS A 56 -5.853 4.007 22.045 1.00 50.10 H new ATOM 0 HZ2 LYS A 56 -4.766 4.929 22.969 1.00 50.10 H new ATOM 0 HZ3 LYS A 56 -4.800 5.098 21.280 1.00 50.10 H new ATOM 744 N ALA A 57 -0.508 4.702 16.891 1.00 35.40 N ATOM 745 CA ALA A 57 -0.734 4.995 15.481 1.00 63.50 C ATOM 746 C ALA A 57 0.445 4.535 14.630 1.00 22.40 C ATOM 747 O ALA A 57 0.262 3.917 13.581 1.00 42.20 O ATOM 748 CB ALA A 57 -0.980 6.483 15.284 1.00 62.00 C ATOM 0 H ALA A 57 -0.280 5.517 17.460 1.00 35.40 H new ATOM 0 HA ALA A 57 -1.619 4.446 15.158 1.00 63.50 H new ATOM 0 HB1 ALA A 57 -1.147 6.687 14.226 1.00 62.00 H new ATOM 0 HB2 ALA A 57 -1.858 6.785 15.855 1.00 62.00 H new ATOM 0 HB3 ALA A 57 -0.112 7.044 15.629 1.00 62.00 H new ATOM 754 N LYS A 58 1.654 4.840 15.089 1.00 42.40 N ATOM 755 CA LYS A 58 2.864 4.457 14.369 1.00 65.40 C ATOM 756 C LYS A 58 2.954 2.942 14.224 1.00 24.00 C ATOM 757 O LYS A 58 3.152 2.424 13.125 1.00 62.00 O ATOM 758 CB LYS A 58 4.102 4.987 15.094 1.00 3.22 C ATOM 759 CG LYS A 58 4.216 6.503 15.075 1.00 22.20 C ATOM 760 CD LYS A 58 5.177 7.002 16.141 1.00 71.00 C ATOM 761 CE LYS A 58 5.641 8.421 15.853 1.00 50.40 C ATOM 762 NZ LYS A 58 6.625 8.467 14.736 1.00 24.30 N ATOM 0 H LYS A 58 1.823 5.351 15.956 1.00 42.40 H new ATOM 0 HA LYS A 58 2.819 4.896 13.373 1.00 65.40 H new ATOM 0 HB2 LYS A 58 4.081 4.646 16.129 1.00 3.22 H new ATOM 0 HB3 LYS A 58 4.993 4.558 14.635 1.00 3.22 H new ATOM 0 HG2 LYS A 58 4.558 6.831 14.093 1.00 22.20 H new ATOM 0 HG3 LYS A 58 3.232 6.945 15.234 1.00 22.20 H new ATOM 0 HD2 LYS A 58 4.690 6.968 17.116 1.00 71.00 H new ATOM 0 HD3 LYS A 58 6.041 6.339 16.193 1.00 71.00 H new ATOM 0 HE2 LYS A 58 4.780 9.041 15.604 1.00 50.40 H new ATOM 0 HE3 LYS A 58 6.091 8.845 16.751 1.00 50.40 H new ATOM 0 HZ1 LYS A 58 7.068 9.407 14.702 1.00 24.30 H new ATOM 0 HZ2 LYS A 58 7.357 7.745 14.889 1.00 24.30 H new ATOM 0 HZ3 LYS A 58 6.138 8.281 13.836 1.00 24.30 H new ATOM 776 N GLN A 59 2.808 2.236 15.341 1.00 24.10 N ATOM 777 CA GLN A 59 2.873 0.779 15.338 1.00 62.20 C ATOM 778 C GLN A 59 1.786 0.188 14.447 1.00 53.30 C ATOM 779 O GLN A 59 1.980 -0.857 13.825 1.00 13.20 O ATOM 780 CB GLN A 59 2.731 0.239 16.762 1.00 54.20 C ATOM 781 CG GLN A 59 1.476 0.718 17.473 1.00 11.10 C ATOM 782 CD GLN A 59 0.323 -0.257 17.340 1.00 10.40 C ATOM 783 OE1 GLN A 59 0.244 -1.015 16.373 1.00 64.50 O ATOM 784 NE2 GLN A 59 -0.580 -0.242 18.314 1.00 33.20 N ATOM 0 H GLN A 59 2.644 2.649 16.259 1.00 24.10 H new ATOM 0 HA GLN A 59 3.844 0.484 14.940 1.00 62.20 H new ATOM 0 HB2 GLN A 59 2.726 -0.851 16.730 1.00 54.20 H new ATOM 0 HB3 GLN A 59 3.604 0.537 17.343 1.00 54.20 H new ATOM 0 HG2 GLN A 59 1.697 0.871 18.529 1.00 11.10 H new ATOM 0 HG3 GLN A 59 1.179 1.684 17.066 1.00 11.10 H new ATOM 0 HE21 GLN A 59 -0.475 0.403 19.097 1.00 33.20 H new ATOM 0 HE22 GLN A 59 -1.379 -0.876 18.279 1.00 33.20 H new ATOM 793 N SER A 60 0.643 0.862 14.389 1.00 54.50 N ATOM 794 CA SER A 60 -0.475 0.403 13.573 1.00 51.30 C ATOM 795 C SER A 60 -0.124 0.456 12.090 1.00 54.30 C ATOM 796 O SER A 60 -0.389 -0.487 11.345 1.00 21.40 O ATOM 797 CB SER A 60 -1.716 1.255 13.846 1.00 45.40 C ATOM 798 OG SER A 60 -2.519 0.677 14.861 1.00 71.40 O ATOM 0 H SER A 60 0.466 1.728 14.897 1.00 54.50 H new ATOM 0 HA SER A 60 -0.687 -0.632 13.841 1.00 51.30 H new ATOM 0 HB2 SER A 60 -1.413 2.259 14.145 1.00 45.40 H new ATOM 0 HB3 SER A 60 -2.299 1.357 12.931 1.00 45.40 H new ATOM 0 HG SER A 60 -2.266 1.051 15.731 1.00 71.40 H new ATOM 804 N ILE A 61 0.475 1.565 11.668 1.00 31.30 N ATOM 805 CA ILE A 61 0.863 1.741 10.274 1.00 12.40 C ATOM 806 C ILE A 61 2.061 0.864 9.924 1.00 40.40 C ATOM 807 O ILE A 61 2.175 0.372 8.801 1.00 34.20 O ATOM 808 CB ILE A 61 1.207 3.211 9.966 1.00 53.20 C ATOM 809 CG1 ILE A 61 0.083 4.132 10.445 1.00 71.20 C ATOM 810 CG2 ILE A 61 1.453 3.399 8.477 1.00 53.30 C ATOM 811 CD1 ILE A 61 0.510 5.576 10.600 1.00 40.30 C ATOM 0 H ILE A 61 0.702 2.355 12.272 1.00 31.30 H new ATOM 0 HA ILE A 61 0.008 1.443 9.667 1.00 12.40 H new ATOM 0 HB ILE A 61 2.120 3.473 10.501 1.00 53.20 H new ATOM 0 HG12 ILE A 61 -0.745 4.080 9.738 1.00 71.20 H new ATOM 0 HG13 ILE A 61 -0.292 3.768 11.401 1.00 71.20 H new ATOM 0 HG21 ILE A 61 1.695 4.443 8.277 1.00 53.30 H new ATOM 0 HG22 ILE A 61 2.284 2.768 8.163 1.00 53.30 H new ATOM 0 HG23 ILE A 61 0.557 3.121 7.922 1.00 53.30 H new ATOM 0 HD11 ILE A 61 -0.337 6.171 10.942 1.00 40.30 H new ATOM 0 HD12 ILE A 61 1.317 5.640 11.330 1.00 40.30 H new ATOM 0 HD13 ILE A 61 0.857 5.958 9.640 1.00 40.30 H new ATOM 823 N ARG A 62 2.951 0.674 10.892 1.00 64.40 N ATOM 824 CA ARG A 62 4.141 -0.144 10.685 1.00 13.10 C ATOM 825 C ARG A 62 3.760 -1.570 10.300 1.00 54.30 C ATOM 826 O ARG A 62 4.275 -2.118 9.325 1.00 13.40 O ATOM 827 CB ARG A 62 5.002 -0.158 11.950 1.00 24.50 C ATOM 828 CG ARG A 62 6.021 0.969 12.005 1.00 5.52 C ATOM 829 CD ARG A 62 7.165 0.639 12.950 1.00 31.00 C ATOM 830 NE ARG A 62 6.685 0.214 14.263 1.00 75.50 N ATOM 831 CZ ARG A 62 7.454 0.147 15.347 1.00 42.00 C ATOM 832 NH1 ARG A 62 8.738 0.477 15.280 1.00 24.00 N ATOM 833 NH2 ARG A 62 6.938 -0.250 16.502 1.00 14.40 N ATOM 0 H ARG A 62 2.871 1.075 11.827 1.00 64.40 H new ATOM 0 HA ARG A 62 4.715 0.293 9.868 1.00 13.10 H new ATOM 0 HB2 ARG A 62 4.352 -0.092 12.823 1.00 24.50 H new ATOM 0 HB3 ARG A 62 5.525 -1.113 12.013 1.00 24.50 H new ATOM 0 HG2 ARG A 62 6.415 1.154 11.006 1.00 5.52 H new ATOM 0 HG3 ARG A 62 5.532 1.887 12.330 1.00 5.52 H new ATOM 0 HD2 ARG A 62 7.778 -0.150 12.515 1.00 31.00 H new ATOM 0 HD3 ARG A 62 7.805 1.514 13.064 1.00 31.00 H new ATOM 0 HE ARG A 62 5.703 -0.047 14.354 1.00 75.50 H new ATOM 0 HH11 ARG A 62 9.140 0.784 14.394 1.00 24.00 H new ATOM 0 HH12 ARG A 62 9.322 0.424 16.114 1.00 24.00 H new ATOM 0 HH21 ARG A 62 5.952 -0.504 16.560 1.00 14.40 H new ATOM 0 HH22 ARG A 62 7.527 -0.301 17.333 1.00 14.40 H new ATOM 847 N ALA A 63 2.856 -2.164 11.071 1.00 53.00 N ATOM 848 CA ALA A 63 2.405 -3.526 10.809 1.00 20.10 C ATOM 849 C ALA A 63 1.606 -3.599 9.512 1.00 3.33 C ATOM 850 O ALA A 63 1.620 -4.617 8.820 1.00 34.10 O ATOM 851 CB ALA A 63 1.572 -4.038 11.974 1.00 1.35 C ATOM 0 H ALA A 63 2.421 -1.724 11.882 1.00 53.00 H new ATOM 0 HA ALA A 63 3.285 -4.160 10.699 1.00 20.10 H new ATOM 0 HB1 ALA A 63 1.242 -5.056 11.766 1.00 1.35 H new ATOM 0 HB2 ALA A 63 2.174 -4.031 12.883 1.00 1.35 H new ATOM 0 HB3 ALA A 63 0.702 -3.395 12.110 1.00 1.35 H new ATOM 857 N LYS A 64 0.911 -2.513 9.189 1.00 1.04 N ATOM 858 CA LYS A 64 0.106 -2.454 7.975 1.00 52.00 C ATOM 859 C LYS A 64 0.990 -2.270 6.745 1.00 50.10 C ATOM 860 O LYS A 64 0.782 -2.914 5.717 1.00 30.20 O ATOM 861 CB LYS A 64 -0.907 -1.312 8.065 1.00 65.10 C ATOM 862 CG LYS A 64 -1.996 -1.546 9.099 1.00 75.50 C ATOM 863 CD LYS A 64 -2.533 -0.235 9.649 1.00 55.40 C ATOM 864 CE LYS A 64 -3.542 0.394 8.701 1.00 11.30 C ATOM 865 NZ LYS A 64 -4.661 1.047 9.435 1.00 2.34 N ATOM 0 H LYS A 64 0.889 -1.662 9.751 1.00 1.04 H new ATOM 0 HA LYS A 64 -0.430 -3.398 7.877 1.00 52.00 H new ATOM 0 HB2 LYS A 64 -0.381 -0.389 8.306 1.00 65.10 H new ATOM 0 HB3 LYS A 64 -1.369 -1.170 7.088 1.00 65.10 H new ATOM 0 HG2 LYS A 64 -2.810 -2.114 8.649 1.00 75.50 H new ATOM 0 HG3 LYS A 64 -1.600 -2.149 9.916 1.00 75.50 H new ATOM 0 HD2 LYS A 64 -3.002 -0.410 10.617 1.00 55.40 H new ATOM 0 HD3 LYS A 64 -1.707 0.457 9.815 1.00 55.40 H new ATOM 0 HE2 LYS A 64 -3.040 1.131 8.074 1.00 11.30 H new ATOM 0 HE3 LYS A 64 -3.942 -0.372 8.036 1.00 11.30 H new ATOM 0 HZ1 LYS A 64 -5.327 1.464 8.753 1.00 2.34 H new ATOM 0 HZ2 LYS A 64 -5.156 0.339 10.014 1.00 2.34 H new ATOM 0 HZ3 LYS A 64 -4.283 1.795 10.051 1.00 2.34 H new ATOM 879 N CYS A 65 1.976 -1.386 6.859 1.00 70.40 N ATOM 880 CA CYS A 65 2.892 -1.117 5.757 1.00 21.10 C ATOM 881 C CYS A 65 3.643 -2.381 5.352 1.00 4.03 C ATOM 882 O CYS A 65 4.000 -2.558 4.187 1.00 4.10 O ATOM 883 CB CYS A 65 3.886 -0.022 6.148 1.00 11.20 C ATOM 884 SG CYS A 65 3.335 1.653 5.746 1.00 74.30 S ATOM 0 H CYS A 65 2.161 -0.844 7.703 1.00 70.40 H new ATOM 0 HA CYS A 65 2.304 -0.777 4.904 1.00 21.10 H new ATOM 0 HB2 CYS A 65 4.075 -0.083 7.220 1.00 11.20 H new ATOM 0 HB3 CYS A 65 4.835 -0.211 5.646 1.00 11.20 H new ATOM 0 HG CYS A 65 3.835 2.492 6.604 1.00 74.30 H new ATOM 890 N THR A 66 3.881 -3.258 6.322 1.00 72.30 N ATOM 891 CA THR A 66 4.590 -4.507 6.067 1.00 71.10 C ATOM 892 C THR A 66 3.641 -5.571 5.525 1.00 1.22 C ATOM 893 O THR A 66 4.040 -6.429 4.738 1.00 14.10 O ATOM 894 CB THR A 66 5.261 -5.008 7.347 1.00 12.30 C ATOM 895 OG1 THR A 66 5.935 -6.232 7.113 1.00 52.10 O ATOM 896 CG2 THR A 66 4.288 -5.230 8.484 1.00 34.00 C ATOM 0 H THR A 66 3.593 -3.127 7.292 1.00 72.30 H new ATOM 0 HA THR A 66 5.356 -4.314 5.316 1.00 71.10 H new ATOM 0 HB THR A 66 5.959 -4.222 7.635 1.00 12.30 H new ATOM 0 HG1 THR A 66 6.359 -6.536 7.943 1.00 52.10 H new ATOM 0 HG21 THR A 66 4.829 -5.585 9.361 1.00 34.00 H new ATOM 0 HG22 THR A 66 3.786 -4.292 8.722 1.00 34.00 H new ATOM 0 HG23 THR A 66 3.547 -5.973 8.189 1.00 34.00 H new ATOM 904 N GLU A 67 2.384 -5.507 5.952 1.00 2.51 N ATOM 905 CA GLU A 67 1.378 -6.466 5.509 1.00 20.20 C ATOM 906 C GLU A 67 1.008 -6.230 4.048 1.00 2.21 C ATOM 907 O GLU A 67 0.970 -7.166 3.249 1.00 2.14 O ATOM 908 CB GLU A 67 0.128 -6.366 6.386 1.00 20.20 C ATOM 909 CG GLU A 67 -0.957 -7.362 6.013 1.00 54.20 C ATOM 910 CD GLU A 67 -2.098 -7.382 7.011 1.00 62.20 C ATOM 911 OE1 GLU A 67 -2.306 -6.358 7.696 1.00 62.30 O ATOM 912 OE2 GLU A 67 -2.783 -8.422 7.109 1.00 72.30 O ATOM 0 H GLU A 67 2.038 -4.802 6.603 1.00 2.51 H new ATOM 0 HA GLU A 67 1.800 -7.467 5.601 1.00 20.20 H new ATOM 0 HB2 GLU A 67 0.411 -6.522 7.427 1.00 20.20 H new ATOM 0 HB3 GLU A 67 -0.277 -5.356 6.314 1.00 20.20 H new ATOM 0 HG2 GLU A 67 -1.347 -7.116 5.025 1.00 54.20 H new ATOM 0 HG3 GLU A 67 -0.522 -8.359 5.944 1.00 54.20 H new ATOM 919 N TYR A 68 0.736 -4.975 3.707 1.00 70.40 N ATOM 920 CA TYR A 68 0.369 -4.617 2.342 1.00 32.30 C ATOM 921 C TYR A 68 1.541 -4.829 1.390 1.00 55.00 C ATOM 922 O TYR A 68 1.372 -5.347 0.286 1.00 75.40 O ATOM 923 CB TYR A 68 -0.095 -3.160 2.282 1.00 31.50 C ATOM 924 CG TYR A 68 -1.316 -2.877 3.127 1.00 11.50 C ATOM 925 CD1 TYR A 68 -2.415 -3.727 3.099 1.00 0.04 C ATOM 926 CD2 TYR A 68 -1.371 -1.761 3.951 1.00 52.50 C ATOM 927 CE1 TYR A 68 -3.534 -3.472 3.869 1.00 2.05 C ATOM 928 CE2 TYR A 68 -2.486 -1.499 4.725 1.00 3.33 C ATOM 929 CZ TYR A 68 -3.564 -2.357 4.680 1.00 44.10 C ATOM 930 OH TYR A 68 -4.676 -2.100 5.449 1.00 71.20 O ATOM 0 H TYR A 68 0.763 -4.189 4.357 1.00 70.40 H new ATOM 0 HA TYR A 68 -0.450 -5.265 2.031 1.00 32.30 H new ATOM 0 HB2 TYR A 68 0.720 -2.514 2.609 1.00 31.50 H new ATOM 0 HB3 TYR A 68 -0.312 -2.899 1.246 1.00 31.50 H new ATOM 0 HD1 TYR A 68 -2.394 -4.601 2.465 1.00 0.04 H new ATOM 0 HD2 TYR A 68 -0.529 -1.086 3.988 1.00 52.50 H new ATOM 0 HE1 TYR A 68 -4.380 -4.142 3.836 1.00 2.05 H new ATOM 0 HE2 TYR A 68 -2.512 -0.627 5.361 1.00 3.33 H new ATOM 0 HH TYR A 68 -4.535 -1.278 5.963 1.00 71.20 H new ATOM 940 N LEU A 69 2.731 -4.425 1.824 1.00 5.32 N ATOM 941 CA LEU A 69 3.932 -4.571 1.010 1.00 11.50 C ATOM 942 C LEU A 69 4.197 -6.038 0.690 1.00 15.10 C ATOM 943 O LEU A 69 4.685 -6.370 -0.390 1.00 21.10 O ATOM 944 CB LEU A 69 5.139 -3.969 1.732 1.00 23.30 C ATOM 945 CG LEU A 69 5.352 -2.472 1.500 1.00 23.10 C ATOM 946 CD1 LEU A 69 6.350 -1.913 2.501 1.00 41.40 C ATOM 947 CD2 LEU A 69 5.822 -2.217 0.076 1.00 74.30 C ATOM 0 H LEU A 69 2.889 -3.994 2.735 1.00 5.32 H new ATOM 0 HA LEU A 69 3.773 -4.036 0.074 1.00 11.50 H new ATOM 0 HB2 LEU A 69 5.027 -4.143 2.802 1.00 23.30 H new ATOM 0 HB3 LEU A 69 6.036 -4.501 1.415 1.00 23.30 H new ATOM 0 HG LEU A 69 4.400 -1.961 1.645 1.00 23.10 H new ATOM 0 HD11 LEU A 69 6.488 -0.847 2.320 1.00 41.40 H new ATOM 0 HD12 LEU A 69 5.974 -2.064 3.513 1.00 41.40 H new ATOM 0 HD13 LEU A 69 7.305 -2.427 2.389 1.00 41.40 H new ATOM 0 HD21 LEU A 69 5.969 -1.147 -0.073 1.00 74.30 H new ATOM 0 HD22 LEU A 69 6.763 -2.740 -0.096 1.00 74.30 H new ATOM 0 HD23 LEU A 69 5.071 -2.581 -0.626 1.00 74.30 H new ATOM 959 N ASP A 70 3.871 -6.913 1.636 1.00 2.52 N ATOM 960 CA ASP A 70 4.074 -8.346 1.455 1.00 11.30 C ATOM 961 C ASP A 70 3.171 -8.888 0.352 1.00 74.40 C ATOM 962 O ASP A 70 3.599 -9.692 -0.476 1.00 34.20 O ATOM 963 CB ASP A 70 3.803 -9.090 2.763 1.00 10.20 C ATOM 964 CG ASP A 70 4.297 -10.520 2.726 1.00 35.20 C ATOM 965 OD1 ASP A 70 5.501 -10.740 2.973 1.00 50.20 O ATOM 966 OD2 ASP A 70 3.478 -11.420 2.450 1.00 42.00 O ATOM 0 H ASP A 70 3.465 -6.655 2.536 1.00 2.52 H new ATOM 0 HA ASP A 70 5.112 -8.506 1.162 1.00 11.30 H new ATOM 0 HB2 ASP A 70 4.287 -8.562 3.585 1.00 10.20 H new ATOM 0 HB3 ASP A 70 2.732 -9.083 2.966 1.00 10.20 H new ATOM 971 N ARG A 71 1.919 -8.442 0.347 1.00 53.30 N ATOM 972 CA ARG A 71 0.955 -8.882 -0.655 1.00 24.00 C ATOM 973 C ARG A 71 1.235 -8.229 -2.004 1.00 14.40 C ATOM 974 O ARG A 71 1.051 -8.845 -3.054 1.00 3.14 O ATOM 975 CB ARG A 71 -0.469 -8.554 -0.202 1.00 72.10 C ATOM 976 CG ARG A 71 -1.117 -9.658 0.618 1.00 23.40 C ATOM 977 CD ARG A 71 -1.802 -10.680 -0.271 1.00 53.40 C ATOM 978 NE ARG A 71 -3.082 -10.190 -0.781 1.00 71.30 N ATOM 979 CZ ARG A 71 -4.156 -9.999 -0.020 1.00 40.10 C ATOM 980 NH1 ARG A 71 -4.108 -10.240 1.283 1.00 62.50 N ATOM 981 NH2 ARG A 71 -5.280 -9.555 -0.564 1.00 15.10 N ATOM 0 H ARG A 71 1.548 -7.776 1.025 1.00 53.30 H new ATOM 0 HA ARG A 71 1.053 -9.962 -0.767 1.00 24.00 H new ATOM 0 HB2 ARG A 71 -0.452 -7.638 0.388 1.00 72.10 H new ATOM 0 HB3 ARG A 71 -1.084 -8.356 -1.080 1.00 72.10 H new ATOM 0 HG2 ARG A 71 -0.360 -10.153 1.227 1.00 23.40 H new ATOM 0 HG3 ARG A 71 -1.845 -9.224 1.304 1.00 23.40 H new ATOM 0 HD2 ARG A 71 -1.149 -10.928 -1.108 1.00 53.40 H new ATOM 0 HD3 ARG A 71 -1.964 -11.600 0.291 1.00 53.40 H new ATOM 0 HE ARG A 71 -3.155 -9.983 -1.777 1.00 71.30 H new ATOM 0 HH11 ARG A 71 -3.243 -10.574 1.708 1.00 62.50 H new ATOM 0 HH12 ARG A 71 -4.936 -10.091 1.860 1.00 62.50 H new ATOM 0 HH21 ARG A 71 -5.320 -9.360 -1.564 1.00 15.10 H new ATOM 0 HH22 ARG A 71 -6.105 -9.408 0.018 1.00 15.10 H new ATOM 995 N ALA A 72 1.681 -6.977 -1.969 1.00 60.00 N ATOM 996 CA ALA A 72 1.986 -6.240 -3.189 1.00 23.40 C ATOM 997 C ALA A 72 3.329 -6.672 -3.769 1.00 53.00 C ATOM 998 O ALA A 72 3.492 -6.754 -4.986 1.00 32.20 O ATOM 999 CB ALA A 72 1.984 -4.744 -2.915 1.00 21.40 C ATOM 0 H ALA A 72 1.839 -6.452 -1.109 1.00 60.00 H new ATOM 0 HA ALA A 72 1.213 -6.465 -3.924 1.00 23.40 H new ATOM 0 HB1 ALA A 72 2.213 -4.205 -3.834 1.00 21.40 H new ATOM 0 HB2 ALA A 72 1.001 -4.442 -2.553 1.00 21.40 H new ATOM 0 HB3 ALA A 72 2.736 -4.511 -2.161 1.00 21.40 H new ATOM 1005 N GLU A 73 4.287 -6.946 -2.890 1.00 51.10 N ATOM 1006 CA GLU A 73 5.616 -7.369 -3.315 1.00 1.42 C ATOM 1007 C GLU A 73 5.544 -8.664 -4.118 1.00 74.20 C ATOM 1008 O GLU A 73 6.151 -8.781 -5.182 1.00 52.50 O ATOM 1009 CB GLU A 73 6.527 -7.558 -2.101 1.00 72.20 C ATOM 1010 CG GLU A 73 7.148 -6.265 -1.599 1.00 62.50 C ATOM 1011 CD GLU A 73 8.597 -6.114 -2.019 1.00 34.40 C ATOM 1012 OE1 GLU A 73 8.871 -6.162 -3.236 1.00 40.20 O ATOM 1013 OE2 GLU A 73 9.459 -5.946 -1.130 1.00 72.50 O ATOM 0 H GLU A 73 4.168 -6.883 -1.879 1.00 51.10 H new ATOM 0 HA GLU A 73 6.031 -6.589 -3.954 1.00 1.42 H new ATOM 0 HB2 GLU A 73 5.953 -8.013 -1.294 1.00 72.20 H new ATOM 0 HB3 GLU A 73 7.322 -8.257 -2.360 1.00 72.20 H new ATOM 0 HG2 GLU A 73 6.574 -5.419 -1.977 1.00 62.50 H new ATOM 0 HG3 GLU A 73 7.083 -6.233 -0.511 1.00 62.50 H new ATOM 1020 N LYS A 74 4.798 -9.634 -3.600 1.00 25.40 N ATOM 1021 CA LYS A 74 4.646 -10.920 -4.269 1.00 21.10 C ATOM 1022 C LYS A 74 3.783 -10.780 -5.520 1.00 44.20 C ATOM 1023 O LYS A 74 4.007 -11.470 -6.517 1.00 10.10 O ATOM 1024 CB LYS A 74 4.026 -11.940 -3.317 1.00 11.40 C ATOM 1025 CG LYS A 74 4.383 -13.380 -3.653 1.00 51.20 C ATOM 1026 CD LYS A 74 3.453 -14.360 -2.959 1.00 14.20 C ATOM 1027 CE LYS A 74 4.109 -15.720 -2.784 1.00 54.30 C ATOM 1028 NZ LYS A 74 5.077 -15.730 -1.652 1.00 35.30 N ATOM 0 H LYS A 74 4.290 -9.554 -2.719 1.00 25.40 H new ATOM 0 HA LYS A 74 5.634 -11.269 -4.569 1.00 21.10 H new ATOM 0 HB2 LYS A 74 4.352 -11.721 -2.300 1.00 11.40 H new ATOM 0 HB3 LYS A 74 2.942 -11.829 -3.335 1.00 11.40 H new ATOM 0 HG2 LYS A 74 4.329 -13.527 -4.732 1.00 51.20 H new ATOM 0 HG3 LYS A 74 5.412 -13.580 -3.355 1.00 51.20 H new ATOM 0 HD2 LYS A 74 3.167 -13.964 -1.984 1.00 14.20 H new ATOM 0 HD3 LYS A 74 2.537 -14.468 -3.540 1.00 14.20 H new ATOM 0 HE2 LYS A 74 3.341 -16.474 -2.611 1.00 54.30 H new ATOM 0 HE3 LYS A 74 4.624 -15.995 -3.704 1.00 54.30 H new ATOM 0 HZ1 LYS A 74 5.825 -16.427 -1.841 1.00 35.30 H new ATOM 0 HZ2 LYS A 74 5.501 -14.786 -1.550 1.00 35.30 H new ATOM 0 HZ3 LYS A 74 4.581 -15.984 -0.774 1.00 35.30 H new ATOM 1042 N LEU A 75 2.798 -9.897 -5.460 1.00 54.50 N ATOM 1043 CA LEU A 75 1.902 -9.672 -6.588 1.00 41.00 C ATOM 1044 C LEU A 75 2.676 -9.170 -7.804 1.00 63.10 C ATOM 1045 O LEU A 75 2.561 -9.724 -8.897 1.00 41.30 O ATOM 1046 CB LEU A 75 0.809 -8.669 -6.207 1.00 34.20 C ATOM 1047 CG LEU A 75 -0.610 -9.238 -6.180 1.00 22.10 C ATOM 1048 CD1 LEU A 75 -0.945 -9.770 -4.795 1.00 74.30 C ATOM 1049 CD2 LEU A 75 -1.617 -8.180 -6.605 1.00 53.30 C ATOM 0 H LEU A 75 2.597 -9.323 -4.641 1.00 54.50 H new ATOM 0 HA LEU A 75 1.435 -10.622 -6.847 1.00 41.00 H new ATOM 0 HB2 LEU A 75 1.039 -8.260 -5.223 1.00 34.20 H new ATOM 0 HB3 LEU A 75 0.838 -7.838 -6.912 1.00 34.20 H new ATOM 0 HG LEU A 75 -0.663 -10.066 -6.887 1.00 22.10 H new ATOM 0 HD11 LEU A 75 -1.959 -10.171 -4.795 1.00 74.30 H new ATOM 0 HD12 LEU A 75 -0.242 -10.560 -4.529 1.00 74.30 H new ATOM 0 HD13 LEU A 75 -0.875 -8.961 -4.068 1.00 74.30 H new ATOM 0 HD21 LEU A 75 -2.621 -8.603 -6.580 1.00 53.30 H new ATOM 0 HD22 LEU A 75 -1.563 -7.332 -5.923 1.00 53.30 H new ATOM 0 HD23 LEU A 75 -1.389 -7.847 -7.617 1.00 53.30 H new ATOM 1061 N LYS A 76 3.463 -8.119 -7.603 1.00 51.40 N ATOM 1062 CA LYS A 76 4.258 -7.542 -8.682 1.00 41.50 C ATOM 1063 C LYS A 76 5.356 -8.504 -9.124 1.00 53.20 C ATOM 1064 O LYS A 76 5.791 -8.478 -10.270 1.00 55.50 O ATOM 1065 CB LYS A 76 4.875 -6.216 -8.235 1.00 71.40 C ATOM 1066 CG LYS A 76 5.861 -6.360 -7.088 1.00 35.00 C ATOM 1067 CD LYS A 76 6.428 -5.013 -6.668 1.00 65.20 C ATOM 1068 CE LYS A 76 7.848 -5.146 -6.143 1.00 13.10 C ATOM 1069 NZ LYS A 76 8.107 -4.227 -5.000 1.00 12.40 N ATOM 0 H LYS A 76 3.568 -7.649 -6.704 1.00 51.40 H new ATOM 0 HA LYS A 76 3.597 -7.360 -9.530 1.00 41.50 H new ATOM 0 HB2 LYS A 76 5.382 -5.756 -9.083 1.00 71.40 H new ATOM 0 HB3 LYS A 76 4.077 -5.537 -7.934 1.00 71.40 H new ATOM 0 HG2 LYS A 76 5.366 -6.828 -6.238 1.00 35.00 H new ATOM 0 HG3 LYS A 76 6.674 -7.021 -7.387 1.00 35.00 H new ATOM 0 HD2 LYS A 76 6.416 -4.331 -7.518 1.00 65.20 H new ATOM 0 HD3 LYS A 76 5.794 -4.574 -5.898 1.00 65.20 H new ATOM 0 HE2 LYS A 76 8.024 -6.175 -5.828 1.00 13.10 H new ATOM 0 HE3 LYS A 76 8.553 -4.934 -6.946 1.00 13.10 H new ATOM 0 HZ1 LYS A 76 8.947 -3.649 -5.203 1.00 12.40 H new ATOM 0 HZ2 LYS A 76 7.284 -3.606 -4.861 1.00 12.40 H new ATOM 0 HZ3 LYS A 76 8.271 -4.784 -4.137 1.00 12.40 H new ATOM 1083 N GLU A 77 5.803 -9.351 -8.201 1.00 14.40 N ATOM 1084 CA GLU A 77 6.853 -10.320 -8.494 1.00 74.40 C ATOM 1085 C GLU A 77 6.468 -11.200 -9.674 1.00 21.50 C ATOM 1086 O GLU A 77 7.222 -11.330 -10.630 1.00 31.40 O ATOM 1087 CB GLU A 77 7.136 -11.180 -7.263 1.00 40.00 C ATOM 1088 CG GLU A 77 8.226 -10.620 -6.364 1.00 45.40 C ATOM 1089 CD GLU A 77 8.333 -11.360 -5.046 1.00 11.20 C ATOM 1090 OE1 GLU A 77 8.772 -12.530 -5.056 1.00 71.10 O ATOM 1091 OE2 GLU A 77 7.979 -10.770 -4.003 1.00 52.10 O ATOM 0 H GLU A 77 5.454 -9.385 -7.243 1.00 14.40 H new ATOM 0 HA GLU A 77 7.757 -9.773 -8.759 1.00 74.40 H new ATOM 0 HB2 GLU A 77 6.218 -11.284 -6.685 1.00 40.00 H new ATOM 0 HB3 GLU A 77 7.423 -12.180 -7.588 1.00 40.00 H new ATOM 0 HG2 GLU A 77 9.183 -10.672 -6.884 1.00 45.40 H new ATOM 0 HG3 GLU A 77 8.025 -9.566 -6.169 1.00 45.40 H new ATOM 1098 N TYR A 78 5.294 -11.820 -9.591 1.00 4.31 N ATOM 1099 CA TYR A 78 4.818 -12.700 -10.650 1.00 75.30 C ATOM 1100 C TYR A 78 4.314 -11.890 -11.840 1.00 22.40 C ATOM 1101 O TYR A 78 4.499 -12.280 -12.990 1.00 24.10 O ATOM 1102 CB TYR A 78 3.715 -13.630 -10.130 1.00 53.20 C ATOM 1103 CG TYR A 78 2.337 -13.000 -10.080 1.00 63.10 C ATOM 1104 CD1 TYR A 78 1.573 -12.870 -11.240 1.00 11.10 C ATOM 1105 CD2 TYR A 78 1.799 -12.540 -8.892 1.00 21.20 C ATOM 1106 CE1 TYR A 78 0.315 -12.300 -11.200 1.00 60.20 C ATOM 1107 CE2 TYR A 78 0.540 -11.970 -8.849 1.00 51.30 C ATOM 1108 CZ TYR A 78 -0.197 -11.850 -10.000 1.00 22.40 C ATOM 1109 OH TYR A 78 -1.451 -11.290 -9.970 1.00 14.40 O ATOM 0 H TYR A 78 4.656 -11.728 -8.801 1.00 4.31 H new ATOM 0 HA TYR A 78 5.656 -13.313 -10.981 1.00 75.30 H new ATOM 0 HB2 TYR A 78 3.674 -14.515 -10.765 1.00 53.20 H new ATOM 0 HB3 TYR A 78 3.983 -13.968 -9.129 1.00 53.20 H new ATOM 0 HD1 TYR A 78 1.970 -13.219 -12.182 1.00 11.10 H new ATOM 0 HD2 TYR A 78 2.373 -12.628 -7.981 1.00 21.20 H new ATOM 0 HE1 TYR A 78 -0.266 -12.207 -12.106 1.00 60.20 H new ATOM 0 HE2 TYR A 78 0.137 -11.620 -7.910 1.00 51.30 H new ATOM 0 HH TYR A 78 -1.918 -11.578 -9.158 1.00 14.40 H new ATOM 1119 N LEU A 79 3.676 -10.760 -11.550 1.00 72.20 N ATOM 1120 CA LEU A 79 3.145 -9.895 -12.600 1.00 63.40 C ATOM 1121 C LEU A 79 4.258 -9.415 -13.530 1.00 73.40 C ATOM 1122 O LEU A 79 4.101 -9.401 -14.750 1.00 22.30 O ATOM 1123 CB LEU A 79 2.426 -8.695 -11.980 1.00 32.20 C ATOM 1124 CG LEU A 79 0.983 -8.957 -11.550 1.00 43.40 C ATOM 1125 CD1 LEU A 79 0.501 -7.863 -10.610 1.00 53.30 C ATOM 1126 CD2 LEU A 79 0.072 -9.061 -12.760 1.00 44.30 C ATOM 0 H LEU A 79 3.514 -10.422 -10.601 1.00 72.20 H new ATOM 0 HA LEU A 79 2.434 -10.474 -13.189 1.00 63.40 H new ATOM 0 HB2 LEU A 79 2.993 -8.360 -11.111 1.00 32.20 H new ATOM 0 HB3 LEU A 79 2.432 -7.876 -12.699 1.00 32.20 H new ATOM 0 HG LEU A 79 0.952 -9.908 -11.018 1.00 43.40 H new ATOM 0 HD11 LEU A 79 -0.528 -8.065 -10.314 1.00 53.30 H new ATOM 0 HD12 LEU A 79 1.136 -7.839 -9.724 1.00 53.30 H new ATOM 0 HD13 LEU A 79 0.550 -6.900 -11.118 1.00 53.30 H new ATOM 0 HD21 LEU A 79 -0.950 -9.248 -12.431 1.00 44.30 H new ATOM 0 HD22 LEU A 79 0.107 -8.128 -13.323 1.00 44.30 H new ATOM 0 HD23 LEU A 79 0.404 -9.882 -13.396 1.00 44.30 H new ATOM 1138 N LYS A 80 5.382 -9.021 -12.940 1.00 2.21 N ATOM 1139 CA LYS A 80 6.522 -8.539 -13.710 1.00 12.00 C ATOM 1140 C LYS A 80 7.217 -9.690 -14.430 1.00 1.35 C ATOM 1141 O LYS A 80 7.676 -9.542 -15.560 1.00 11.10 O ATOM 1142 CB LYS A 80 7.515 -7.818 -12.800 1.00 35.20 C ATOM 1143 CG LYS A 80 8.183 -6.620 -13.450 1.00 63.40 C ATOM 1144 CD LYS A 80 9.352 -7.043 -14.330 1.00 70.40 C ATOM 1145 CE LYS A 80 9.688 -5.979 -15.360 1.00 63.30 C ATOM 1146 NZ LYS A 80 10.093 -6.577 -16.660 1.00 71.40 N ATOM 0 H LYS A 80 5.527 -9.026 -11.930 1.00 2.21 H new ATOM 0 HA LYS A 80 6.151 -7.837 -14.457 1.00 12.00 H new ATOM 0 HB2 LYS A 80 6.996 -7.489 -11.900 1.00 35.20 H new ATOM 0 HB3 LYS A 80 8.283 -8.524 -12.485 1.00 35.20 H new ATOM 0 HG2 LYS A 80 7.453 -6.076 -14.049 1.00 63.40 H new ATOM 0 HG3 LYS A 80 8.536 -5.936 -12.678 1.00 63.40 H new ATOM 0 HD2 LYS A 80 10.226 -7.237 -13.708 1.00 70.40 H new ATOM 0 HD3 LYS A 80 9.108 -7.977 -14.837 1.00 70.40 H new ATOM 0 HE2 LYS A 80 8.823 -5.333 -15.511 1.00 63.30 H new ATOM 0 HE3 LYS A 80 10.494 -5.350 -14.983 1.00 63.30 H new ATOM 0 HZ1 LYS A 80 10.314 -5.819 -17.337 1.00 71.40 H new ATOM 0 HZ2 LYS A 80 10.934 -7.173 -16.521 1.00 71.40 H new ATOM 0 HZ3 LYS A 80 9.315 -7.157 -17.033 1.00 71.40 H new ATOM 1160 N ASN A 81 7.293 -10.830 -13.760 1.00 10.40 N ATOM 1161 CA ASN A 81 7.933 -12.010 -14.340 1.00 54.20 C ATOM 1162 C ASN A 81 7.222 -12.450 -15.620 1.00 62.30 C ATOM 1163 O ASN A 81 7.850 -12.620 -16.660 1.00 73.10 O ATOM 1164 CB ASN A 81 7.940 -13.160 -13.330 1.00 54.50 C ATOM 1165 CG ASN A 81 9.163 -14.040 -13.470 1.00 0.11 C ATOM 1166 OD1 ASN A 81 9.535 -14.440 -14.570 1.00 1.11 O ATOM 1167 ND2 ASN A 81 9.797 -14.360 -12.340 1.00 35.20 N ATOM 0 H ASN A 81 6.923 -10.967 -12.819 1.00 10.40 H new ATOM 0 HA ASN A 81 8.960 -11.744 -14.591 1.00 54.20 H new ATOM 0 HB2 ASN A 81 7.902 -12.753 -12.319 1.00 54.50 H new ATOM 0 HB3 ASN A 81 7.043 -13.764 -13.465 1.00 54.50 H new ATOM 0 HD21 ASN A 81 10.623 -14.958 -12.370 1.00 35.20 H new ATOM 0 HD22 ASN A 81 9.456 -14.007 -11.446 1.00 35.20 H new