USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 653 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 13 THR OG1 : rot 130:sc= -0.817 USER MOD Single : A 21 HIS : no HD1:sc= -2.3 X(o=-2.3,f=-2.3) USER MOD Single : A 38 SER OG : rot 102:sc= -0.909! USER MOD Single : A 45 HIS : no HD1:sc= -0.243 X(o=-0.24,f=-0.016) USER MOD Single : A 46 MET CE :methyl 167:sc= -2.63 (180deg=-2.73) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 ASN : amide:sc= 0.248 X(o=0.25,f=0) USER MOD Single : A 62 MET CE :methyl -179:sc= -3.13 (180deg=-3.24) USER MOD Single : A 65 SER OG : rot 180:sc= 0.294 USER MOD Single : A 69 MET CE :methyl 148:sc= -0.405 (180deg=-1.6!) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.175 USER MOD Single : A 72 ASN : amide:sc= -0.242 K(o=-0.24,f=-5.5!) USER MOD Single : A 75 THR OG1 : rot -51:sc= 1.14 USER MOD Single : A 77 THR OG1 : rot -64:sc= 0.485 USER MOD Single : A 81 MET CE :methyl -148:sc= -2.7 (180deg=-4.88!) USER MOD Single : A 94 HIS : no HD1:sc= -0.779 K(o=-0.78,f=-2.7) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.459 X(o=-0.46,f=-0.048) USER MOD Single : A 102 HIS : no HD1:sc= -0.0838 X(o=-0.084,f=-0.0031) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.572 -8.353 -26.591 1.00 24.12 N ATOM 2 CA MET A 1 -7.127 -8.527 -26.703 1.00 53.22 C ATOM 3 C MET A 1 -6.472 -7.276 -27.280 1.00 61.15 C ATOM 4 O MET A 1 -6.882 -6.777 -28.329 1.00 33.45 O ATOM 5 CB MET A 1 -6.805 -9.737 -27.581 1.00 34.44 C ATOM 6 CG MET A 1 -6.946 -11.067 -26.858 1.00 30.21 C ATOM 7 SD MET A 1 -8.133 -12.167 -27.652 1.00 61.03 S ATOM 8 CE MET A 1 -7.237 -13.717 -27.613 1.00 71.35 C ATOM 0 H1 MET A 1 -8.996 -9.217 -26.196 1.00 24.12 H new ATOM 0 H2 MET A 1 -8.777 -7.549 -25.964 1.00 24.12 H new ATOM 0 H3 MET A 1 -8.974 -8.169 -27.533 1.00 24.12 H new ATOM 0 HA MET A 1 -6.727 -8.696 -25.703 1.00 53.22 H new ATOM 0 HB2 MET A 1 -7.465 -9.732 -28.448 1.00 34.44 H new ATOM 0 HB3 MET A 1 -5.786 -9.643 -27.956 1.00 34.44 H new ATOM 0 HG2 MET A 1 -5.974 -11.558 -26.816 1.00 30.21 H new ATOM 0 HG3 MET A 1 -7.257 -10.886 -25.829 1.00 30.21 H new ATOM 0 HE1 MET A 1 -7.843 -14.499 -28.070 1.00 71.35 H new ATOM 0 HE2 MET A 1 -6.303 -13.612 -28.166 1.00 71.35 H new ATOM 0 HE3 MET A 1 -7.018 -13.985 -26.579 1.00 71.35 H new ATOM 16 N ALA A 2 -5.455 -6.774 -26.590 1.00 24.44 N ATOM 17 CA ALA A 2 -4.742 -5.584 -27.035 1.00 1.31 C ATOM 18 C ALA A 2 -3.353 -5.507 -26.409 1.00 60.04 C ATOM 19 O ALA A 2 -2.990 -6.341 -25.579 1.00 32.11 O ATOM 20 CB ALA A 2 -5.543 -4.333 -26.701 1.00 63.10 C ATOM 0 H ALA A 2 -5.106 -7.173 -25.719 1.00 24.44 H new ATOM 0 HA ALA A 2 -4.621 -5.648 -28.116 1.00 1.31 H new ATOM 0 HB1 ALA A 2 -4.999 -3.451 -27.039 1.00 63.10 H new ATOM 0 HB2 ALA A 2 -6.510 -4.376 -27.201 1.00 63.10 H new ATOM 0 HB3 ALA A 2 -5.694 -4.275 -25.623 1.00 63.10 H new ATOM 26 N ARG A 3 -2.582 -4.504 -26.812 1.00 2.24 N ATOM 27 CA ARG A 3 -1.232 -4.320 -26.291 1.00 20.01 C ATOM 28 C ARG A 3 -1.163 -3.101 -25.376 1.00 72.23 C ATOM 29 O ARG A 3 -0.103 -2.501 -25.204 1.00 0.22 O ATOM 30 CB ARG A 3 -0.236 -4.165 -27.441 1.00 64.30 C ATOM 31 CG ARG A 3 1.093 -4.861 -27.194 1.00 60.42 C ATOM 32 CD ARG A 3 1.904 -4.983 -28.474 1.00 20.51 C ATOM 33 NE ARG A 3 2.864 -3.891 -28.619 1.00 43.20 N ATOM 34 CZ ARG A 3 3.408 -3.540 -29.779 1.00 51.25 C ATOM 35 NH1 ARG A 3 3.088 -4.192 -30.889 1.00 3.32 N ATOM 36 NH2 ARG A 3 4.273 -2.536 -29.831 1.00 43.01 N ATOM 0 H ARG A 3 -2.868 -3.805 -27.498 1.00 2.24 H new ATOM 0 HA ARG A 3 -0.971 -5.204 -25.709 1.00 20.01 H new ATOM 0 HB2 ARG A 3 -0.681 -4.564 -28.352 1.00 64.30 H new ATOM 0 HB3 ARG A 3 -0.054 -3.104 -27.613 1.00 64.30 H new ATOM 0 HG2 ARG A 3 1.664 -4.304 -26.452 1.00 60.42 H new ATOM 0 HG3 ARG A 3 0.914 -5.853 -26.779 1.00 60.42 H new ATOM 0 HD2 ARG A 3 2.435 -5.935 -28.478 1.00 20.51 H new ATOM 0 HD3 ARG A 3 1.230 -4.990 -29.331 1.00 20.51 H new ATOM 0 HE ARG A 3 3.131 -3.370 -27.784 1.00 43.20 H new ATOM 0 HH11 ARG A 3 2.423 -4.965 -30.853 1.00 3.32 H new ATOM 0 HH12 ARG A 3 3.507 -3.921 -31.779 1.00 3.32 H new ATOM 0 HH21 ARG A 3 4.521 -2.032 -28.980 1.00 43.01 H new ATOM 0 HH22 ARG A 3 4.690 -2.268 -30.722 1.00 43.01 H new ATOM 47 N ALA A 4 -2.301 -2.741 -24.792 1.00 50.41 N ATOM 48 CA ALA A 4 -2.370 -1.595 -23.894 1.00 63.13 C ATOM 49 C ALA A 4 -2.066 -2.004 -22.457 1.00 65.12 C ATOM 50 O ALA A 4 -1.631 -1.186 -21.647 1.00 21.33 O ATOM 51 CB ALA A 4 -3.741 -0.940 -23.979 1.00 3.24 C ATOM 0 H ALA A 4 -3.188 -3.227 -24.925 1.00 50.41 H new ATOM 0 HA ALA A 4 -1.614 -0.874 -24.206 1.00 63.13 H new ATOM 0 HB1 ALA A 4 -3.779 -0.086 -23.303 1.00 3.24 H new ATOM 0 HB2 ALA A 4 -3.921 -0.603 -25.000 1.00 3.24 H new ATOM 0 HB3 ALA A 4 -4.507 -1.661 -23.695 1.00 3.24 H new ATOM 57 N ASP A 5 -2.298 -3.275 -22.147 1.00 41.22 N ATOM 58 CA ASP A 5 -2.048 -3.793 -20.807 1.00 63.33 C ATOM 59 C ASP A 5 -0.612 -4.293 -20.677 1.00 51.13 C ATOM 60 O ASP A 5 -0.376 -5.483 -20.466 1.00 43.21 O ATOM 61 CB ASP A 5 -3.026 -4.925 -20.484 1.00 12.31 C ATOM 62 CG ASP A 5 -3.110 -5.953 -21.595 1.00 13.22 C ATOM 63 OD1 ASP A 5 -2.166 -6.024 -22.411 1.00 72.21 O ATOM 64 OD2 ASP A 5 -4.118 -6.688 -21.647 1.00 41.52 O ATOM 0 H ASP A 5 -2.659 -3.965 -22.805 1.00 41.22 H new ATOM 0 HA ASP A 5 -2.197 -2.980 -20.096 1.00 63.33 H new ATOM 0 HB2 ASP A 5 -2.717 -5.416 -19.561 1.00 12.31 H new ATOM 0 HB3 ASP A 5 -4.016 -4.506 -20.305 1.00 12.31 H new ATOM 68 N ASP A 6 0.341 -3.378 -20.805 1.00 13.25 N ATOM 69 CA ASP A 6 1.753 -3.725 -20.702 1.00 33.21 C ATOM 70 C ASP A 6 2.070 -4.311 -19.329 1.00 2.34 C ATOM 71 O ASP A 6 1.168 -4.623 -18.552 1.00 15.21 O ATOM 72 CB ASP A 6 2.623 -2.493 -20.956 1.00 2.13 C ATOM 73 CG ASP A 6 2.105 -1.644 -22.100 1.00 51.15 C ATOM 74 OD1 ASP A 6 2.312 -2.033 -23.269 1.00 42.45 O ATOM 75 OD2 ASP A 6 1.490 -0.592 -21.827 1.00 32.43 O ATOM 0 H ASP A 6 0.162 -2.389 -20.980 1.00 13.25 H new ATOM 0 HA ASP A 6 1.972 -4.478 -21.459 1.00 33.21 H new ATOM 0 HB2 ASP A 6 2.666 -1.889 -20.050 1.00 2.13 H new ATOM 0 HB3 ASP A 6 3.642 -2.811 -21.176 1.00 2.13 H new ATOM 79 N THR A 7 3.359 -4.459 -19.037 1.00 43.14 N ATOM 80 CA THR A 7 3.795 -5.010 -17.760 1.00 73.10 C ATOM 81 C THR A 7 3.115 -4.300 -16.595 1.00 71.13 C ATOM 82 O THR A 7 2.271 -4.879 -15.910 1.00 23.41 O ATOM 83 CB THR A 7 5.322 -4.899 -17.593 1.00 61.24 C ATOM 84 OG1 THR A 7 5.882 -4.165 -18.686 1.00 64.30 O ATOM 85 CG2 THR A 7 5.959 -6.279 -17.522 1.00 73.21 C ATOM 0 H THR A 7 4.119 -4.205 -19.668 1.00 43.14 H new ATOM 0 HA THR A 7 3.512 -6.063 -17.756 1.00 73.10 H new ATOM 0 HB THR A 7 5.527 -4.373 -16.661 1.00 61.24 H new ATOM 0 HG1 THR A 7 6.853 -4.097 -18.571 1.00 64.30 H new ATOM 0 HG21 THR A 7 7.038 -6.176 -17.404 1.00 73.21 H new ATOM 0 HG22 THR A 7 5.551 -6.825 -16.671 1.00 73.21 H new ATOM 0 HG23 THR A 7 5.745 -6.826 -18.440 1.00 73.21 H new ATOM 93 N ALA A 8 3.487 -3.044 -16.374 1.00 42.35 N ATOM 94 CA ALA A 8 2.910 -2.254 -15.293 1.00 21.40 C ATOM 95 C ALA A 8 1.386 -2.290 -15.340 1.00 2.43 C ATOM 96 O ALA A 8 0.794 -2.686 -16.345 1.00 1.34 O ATOM 97 CB ALA A 8 3.409 -0.819 -15.363 1.00 24.00 C ATOM 0 H ALA A 8 4.186 -2.551 -16.930 1.00 42.35 H new ATOM 0 HA ALA A 8 3.228 -2.691 -14.347 1.00 21.40 H new ATOM 0 HB1 ALA A 8 2.970 -0.241 -14.550 1.00 24.00 H new ATOM 0 HB2 ALA A 8 4.495 -0.807 -15.272 1.00 24.00 H new ATOM 0 HB3 ALA A 8 3.120 -0.379 -16.318 1.00 24.00 H new ATOM 103 N LEU A 9 0.756 -1.874 -14.247 1.00 60.44 N ATOM 104 CA LEU A 9 -0.700 -1.860 -14.162 1.00 51.24 C ATOM 105 C LEU A 9 -1.292 -0.844 -15.135 1.00 62.22 C ATOM 106 O LEU A 9 -0.968 0.343 -15.105 1.00 62.52 O ATOM 107 CB LEU A 9 -1.145 -1.534 -12.735 1.00 44.21 C ATOM 108 CG LEU A 9 -2.486 -2.126 -12.299 1.00 61.13 C ATOM 109 CD1 LEU A 9 -2.457 -3.643 -12.393 1.00 63.41 C ATOM 110 CD2 LEU A 9 -2.828 -1.685 -10.884 1.00 35.04 C ATOM 0 H LEU A 9 1.231 -1.542 -13.407 1.00 60.44 H new ATOM 0 HA LEU A 9 -1.064 -2.851 -14.432 1.00 51.24 H new ATOM 0 HB2 LEU A 9 -0.375 -1.883 -12.047 1.00 44.21 H new ATOM 0 HB3 LEU A 9 -1.198 -0.450 -12.631 1.00 44.21 H new ATOM 0 HG LEU A 9 -3.260 -1.756 -12.972 1.00 61.13 H new ATOM 0 HD11 LEU A 9 -3.420 -4.045 -12.079 1.00 63.41 H new ATOM 0 HD12 LEU A 9 -2.258 -3.940 -13.423 1.00 63.41 H new ATOM 0 HD13 LEU A 9 -1.672 -4.033 -11.745 1.00 63.41 H new ATOM 0 HD21 LEU A 9 -3.785 -2.115 -10.590 1.00 35.04 H new ATOM 0 HD22 LEU A 9 -2.051 -2.025 -10.199 1.00 35.04 H new ATOM 0 HD23 LEU A 9 -2.893 -0.598 -10.847 1.00 35.04 H new ATOM 121 N PRO A 10 -2.182 -1.320 -16.019 1.00 61.22 N ATOM 122 CA PRO A 10 -2.839 -0.470 -17.016 1.00 72.22 C ATOM 123 C PRO A 10 -3.835 0.499 -16.386 1.00 21.34 C ATOM 124 O PRO A 10 -4.359 1.387 -17.056 1.00 51.53 O ATOM 125 CB PRO A 10 -3.566 -1.474 -17.914 1.00 3.41 C ATOM 126 CG PRO A 10 -3.792 -2.664 -17.048 1.00 33.14 C ATOM 127 CD PRO A 10 -2.615 -2.724 -16.113 1.00 54.01 C ATOM 0 HA PRO A 10 -2.126 0.160 -17.547 1.00 72.22 H new ATOM 0 HB2 PRO A 10 -4.508 -1.067 -18.281 1.00 3.41 H new ATOM 0 HB3 PRO A 10 -2.967 -1.729 -18.788 1.00 3.41 H new ATOM 0 HG2 PRO A 10 -4.726 -2.572 -16.494 1.00 33.14 H new ATOM 0 HG3 PRO A 10 -3.863 -3.573 -17.645 1.00 33.14 H new ATOM 0 HD2 PRO A 10 -2.896 -3.124 -15.139 1.00 54.01 H new ATOM 0 HD3 PRO A 10 -1.823 -3.363 -16.504 1.00 54.01 H new ATOM 132 N ALA A 11 -4.091 0.320 -15.094 1.00 20.53 N ATOM 133 CA ALA A 11 -5.021 1.179 -14.374 1.00 55.31 C ATOM 134 C ALA A 11 -4.438 2.575 -14.174 1.00 13.11 C ATOM 135 O ALA A 11 -3.377 2.734 -13.571 1.00 22.44 O ATOM 136 CB ALA A 11 -5.382 0.560 -13.031 1.00 62.20 C ATOM 0 H ALA A 11 -3.667 -0.413 -14.525 1.00 20.53 H new ATOM 0 HA ALA A 11 -5.926 1.273 -14.974 1.00 55.31 H new ATOM 0 HB1 ALA A 11 -6.078 1.213 -12.504 1.00 62.20 H new ATOM 0 HB2 ALA A 11 -5.848 -0.412 -13.192 1.00 62.20 H new ATOM 0 HB3 ALA A 11 -4.479 0.435 -12.434 1.00 62.20 H new ATOM 142 N ALA A 12 -5.138 3.582 -14.685 1.00 11.33 N ATOM 143 CA ALA A 12 -4.690 4.963 -14.562 1.00 15.51 C ATOM 144 C ALA A 12 -5.089 5.552 -13.213 1.00 35.44 C ATOM 145 O ALA A 12 -4.783 6.706 -12.910 1.00 4.24 O ATOM 146 CB ALA A 12 -5.257 5.805 -15.695 1.00 12.44 C ATOM 0 H ALA A 12 -6.018 3.467 -15.188 1.00 11.33 H new ATOM 0 HA ALA A 12 -3.602 4.972 -14.626 1.00 15.51 H new ATOM 0 HB1 ALA A 12 -4.914 6.834 -15.590 1.00 12.44 H new ATOM 0 HB2 ALA A 12 -4.918 5.405 -16.651 1.00 12.44 H new ATOM 0 HB3 ALA A 12 -6.346 5.780 -15.657 1.00 12.44 H new ATOM 152 N THR A 13 -5.775 4.751 -12.402 1.00 4.40 N ATOM 153 CA THR A 13 -6.217 5.193 -11.086 1.00 52.21 C ATOM 154 C THR A 13 -5.084 5.870 -10.324 1.00 34.23 C ATOM 155 O THR A 13 -5.292 6.879 -9.650 1.00 31.21 O ATOM 156 CB THR A 13 -6.752 4.015 -10.248 1.00 0.33 C ATOM 157 OG1 THR A 13 -6.940 4.427 -8.890 1.00 73.24 O ATOM 158 CG2 THR A 13 -5.791 2.837 -10.297 1.00 41.24 C ATOM 0 H THR A 13 -6.036 3.793 -12.635 1.00 4.40 H new ATOM 0 HA THR A 13 -7.022 5.910 -11.247 1.00 52.21 H new ATOM 0 HB THR A 13 -7.708 3.702 -10.668 1.00 0.33 H new ATOM 0 HG1 THR A 13 -7.838 4.172 -8.592 1.00 73.24 H new ATOM 0 HG21 THR A 13 -6.189 2.018 -9.699 1.00 41.24 H new ATOM 0 HG22 THR A 13 -5.671 2.508 -11.329 1.00 41.24 H new ATOM 0 HG23 THR A 13 -4.823 3.140 -9.898 1.00 41.24 H new ATOM 166 N GLY A 14 -3.884 5.310 -10.435 1.00 24.35 N ATOM 167 CA GLY A 14 -2.734 5.874 -9.752 1.00 34.03 C ATOM 168 C GLY A 14 -2.613 5.386 -8.322 1.00 64.30 C ATOM 169 O GLY A 14 -1.725 4.595 -8.002 1.00 43.24 O ATOM 0 H GLY A 14 -3.687 4.475 -10.986 1.00 24.35 H new ATOM 0 HA2 GLY A 14 -1.827 5.615 -10.299 1.00 34.03 H new ATOM 0 HA3 GLY A 14 -2.810 6.961 -9.757 1.00 34.03 H new ATOM 173 N ALA A 15 -3.506 5.859 -7.459 1.00 72.21 N ATOM 174 CA ALA A 15 -3.495 5.464 -6.055 1.00 3.44 C ATOM 175 C ALA A 15 -3.664 3.957 -5.907 1.00 43.34 C ATOM 176 O ALA A 15 -2.842 3.288 -5.280 1.00 34.14 O ATOM 177 CB ALA A 15 -4.589 6.197 -5.293 1.00 15.34 C ATOM 0 H ALA A 15 -4.246 6.516 -7.707 1.00 72.21 H new ATOM 0 HA ALA A 15 -2.528 5.737 -5.634 1.00 3.44 H new ATOM 0 HB1 ALA A 15 -4.570 5.893 -4.246 1.00 15.34 H new ATOM 0 HB2 ALA A 15 -4.423 7.272 -5.362 1.00 15.34 H new ATOM 0 HB3 ALA A 15 -5.560 5.952 -5.724 1.00 15.34 H new ATOM 183 N LEU A 16 -4.735 3.427 -6.488 1.00 62.40 N ATOM 184 CA LEU A 16 -5.012 1.996 -6.420 1.00 40.02 C ATOM 185 C LEU A 16 -3.870 1.190 -7.029 1.00 24.22 C ATOM 186 O LEU A 16 -3.504 0.132 -6.519 1.00 73.40 O ATOM 187 CB LEU A 16 -6.320 1.674 -7.146 1.00 1.34 C ATOM 188 CG LEU A 16 -7.417 1.028 -6.298 1.00 64.01 C ATOM 189 CD1 LEU A 16 -7.044 -0.404 -5.947 1.00 51.54 C ATOM 190 CD2 LEU A 16 -7.666 1.841 -5.037 1.00 2.23 C ATOM 0 H LEU A 16 -5.425 3.966 -7.011 1.00 62.40 H new ATOM 0 HA LEU A 16 -5.108 1.720 -5.370 1.00 40.02 H new ATOM 0 HB2 LEU A 16 -6.713 2.598 -7.571 1.00 1.34 H new ATOM 0 HB3 LEU A 16 -6.095 1.010 -7.980 1.00 1.34 H new ATOM 0 HG LEU A 16 -8.338 1.010 -6.881 1.00 64.01 H new ATOM 0 HD11 LEU A 16 -7.835 -0.849 -5.344 1.00 51.54 H new ATOM 0 HD12 LEU A 16 -6.918 -0.982 -6.863 1.00 51.54 H new ATOM 0 HD13 LEU A 16 -6.111 -0.409 -5.383 1.00 51.54 H new ATOM 0 HD21 LEU A 16 -8.449 1.366 -4.447 1.00 2.23 H new ATOM 0 HD22 LEU A 16 -6.749 1.891 -4.450 1.00 2.23 H new ATOM 0 HD23 LEU A 16 -7.978 2.849 -5.310 1.00 2.23 H new ATOM 201 N GLU A 17 -3.308 1.699 -8.121 1.00 41.51 N ATOM 202 CA GLU A 17 -2.205 1.027 -8.797 1.00 62.34 C ATOM 203 C GLU A 17 -0.932 1.092 -7.959 1.00 12.43 C ATOM 204 O GLU A 17 -0.110 0.175 -7.984 1.00 72.45 O ATOM 205 CB GLU A 17 -1.958 1.657 -10.170 1.00 54.04 C ATOM 206 CG GLU A 17 -0.609 2.345 -10.290 1.00 54.31 C ATOM 207 CD GLU A 17 0.536 1.362 -10.442 1.00 72.24 C ATOM 208 OE1 GLU A 17 0.471 0.513 -11.355 1.00 20.42 O ATOM 209 OE2 GLU A 17 1.495 1.443 -9.646 1.00 3.40 O ATOM 0 H GLU A 17 -3.599 2.575 -8.556 1.00 41.51 H new ATOM 0 HA GLU A 17 -2.479 -0.020 -8.930 1.00 62.34 H new ATOM 0 HB2 GLU A 17 -2.031 0.883 -10.934 1.00 54.04 H new ATOM 0 HB3 GLU A 17 -2.746 2.382 -10.375 1.00 54.04 H new ATOM 0 HG2 GLU A 17 -0.623 3.016 -11.149 1.00 54.31 H new ATOM 0 HG3 GLU A 17 -0.439 2.961 -9.407 1.00 54.31 H new ATOM 214 N LEU A 18 -0.773 2.184 -7.219 1.00 54.35 N ATOM 215 CA LEU A 18 0.400 2.370 -6.373 1.00 13.52 C ATOM 216 C LEU A 18 0.483 1.281 -5.308 1.00 12.40 C ATOM 217 O LEU A 18 1.503 0.607 -5.173 1.00 21.32 O ATOM 218 CB LEU A 18 0.360 3.748 -5.708 1.00 50.01 C ATOM 219 CG LEU A 18 1.712 4.346 -5.319 1.00 70.11 C ATOM 220 CD1 LEU A 18 1.611 5.858 -5.192 1.00 3.01 C ATOM 221 CD2 LEU A 18 2.213 3.732 -4.020 1.00 53.25 C ATOM 0 H LEU A 18 -1.442 2.954 -7.188 1.00 54.35 H new ATOM 0 HA LEU A 18 1.286 2.303 -7.004 1.00 13.52 H new ATOM 0 HB2 LEU A 18 -0.140 4.441 -6.385 1.00 50.01 H new ATOM 0 HB3 LEU A 18 -0.255 3.678 -4.811 1.00 50.01 H new ATOM 0 HG LEU A 18 2.429 4.116 -6.107 1.00 70.11 H new ATOM 0 HD11 LEU A 18 2.583 6.266 -4.915 1.00 3.01 H new ATOM 0 HD12 LEU A 18 1.298 6.283 -6.146 1.00 3.01 H new ATOM 0 HD13 LEU A 18 0.879 6.111 -4.425 1.00 3.01 H new ATOM 0 HD21 LEU A 18 3.176 4.170 -3.759 1.00 53.25 H new ATOM 0 HD22 LEU A 18 1.496 3.931 -3.223 1.00 53.25 H new ATOM 0 HD23 LEU A 18 2.326 2.655 -4.146 1.00 53.25 H new ATOM 232 N VAL A 19 -0.600 1.115 -4.554 1.00 42.40 N ATOM 233 CA VAL A 19 -0.651 0.106 -3.503 1.00 65.23 C ATOM 234 C VAL A 19 -0.505 -1.297 -4.081 1.00 24.42 C ATOM 235 O VAL A 19 0.354 -2.070 -3.654 1.00 31.20 O ATOM 236 CB VAL A 19 -1.969 0.187 -2.711 1.00 74.12 C ATOM 237 CG1 VAL A 19 -2.303 -1.160 -2.089 1.00 23.12 C ATOM 238 CG2 VAL A 19 -1.883 1.269 -1.644 1.00 25.31 C ATOM 0 H VAL A 19 -1.453 1.666 -4.652 1.00 42.40 H new ATOM 0 HA VAL A 19 0.182 0.308 -2.830 1.00 65.23 H new ATOM 0 HB VAL A 19 -2.771 0.450 -3.401 1.00 74.12 H new ATOM 0 HG11 VAL A 19 -3.238 -1.083 -1.534 1.00 23.12 H new ATOM 0 HG12 VAL A 19 -2.409 -1.908 -2.875 1.00 23.12 H new ATOM 0 HG13 VAL A 19 -1.502 -1.457 -1.412 1.00 23.12 H new ATOM 0 HG21 VAL A 19 -2.823 1.313 -1.094 1.00 25.31 H new ATOM 0 HG22 VAL A 19 -1.070 1.038 -0.956 1.00 25.31 H new ATOM 0 HG23 VAL A 19 -1.695 2.233 -2.117 1.00 25.31 H new ATOM 248 N ARG A 20 -1.348 -1.621 -5.055 1.00 42.43 N ATOM 249 CA ARG A 20 -1.314 -2.932 -5.693 1.00 71.24 C ATOM 250 C ARG A 20 0.076 -3.231 -6.248 1.00 11.42 C ATOM 251 O ARG A 20 0.561 -4.359 -6.164 1.00 55.12 O ATOM 252 CB ARG A 20 -2.350 -3.005 -6.816 1.00 13.52 C ATOM 253 CG ARG A 20 -3.704 -3.524 -6.362 1.00 72.14 C ATOM 254 CD ARG A 20 -4.833 -2.946 -7.202 1.00 14.23 C ATOM 255 NE ARG A 20 -5.092 -3.744 -8.397 1.00 33.51 N ATOM 256 CZ ARG A 20 -5.772 -3.297 -9.446 1.00 73.52 C ATOM 257 NH1 ARG A 20 -6.259 -2.064 -9.448 1.00 70.24 N ATOM 258 NH2 ARG A 20 -5.966 -4.084 -10.496 1.00 2.13 N ATOM 0 H ARG A 20 -2.064 -0.993 -5.420 1.00 42.43 H new ATOM 0 HA ARG A 20 -1.554 -3.681 -4.938 1.00 71.24 H new ATOM 0 HB2 ARG A 20 -2.477 -2.012 -7.247 1.00 13.52 H new ATOM 0 HB3 ARG A 20 -1.970 -3.650 -7.608 1.00 13.52 H new ATOM 0 HG2 ARG A 20 -3.719 -4.612 -6.429 1.00 72.14 H new ATOM 0 HG3 ARG A 20 -3.861 -3.267 -5.314 1.00 72.14 H new ATOM 0 HD2 ARG A 20 -5.740 -2.890 -6.600 1.00 14.23 H new ATOM 0 HD3 ARG A 20 -4.581 -1.927 -7.495 1.00 14.23 H new ATOM 0 HE ARG A 20 -4.731 -4.697 -8.428 1.00 33.51 H new ATOM 0 HH11 ARG A 20 -6.112 -1.456 -8.642 1.00 70.24 H new ATOM 0 HH12 ARG A 20 -6.781 -1.723 -10.255 1.00 70.24 H new ATOM 0 HH21 ARG A 20 -5.593 -5.033 -10.498 1.00 2.13 H new ATOM 0 HH22 ARG A 20 -6.489 -3.740 -11.302 1.00 2.13 H new ATOM 269 N HIS A 21 0.712 -2.210 -6.817 1.00 72.45 N ATOM 270 CA HIS A 21 2.045 -2.363 -7.387 1.00 12.02 C ATOM 271 C HIS A 21 3.064 -2.704 -6.302 1.00 14.52 C ATOM 272 O HIS A 21 3.830 -3.659 -6.434 1.00 10.04 O ATOM 273 CB HIS A 21 2.464 -1.083 -8.111 1.00 72.23 C ATOM 274 CG HIS A 21 3.775 -1.199 -8.824 1.00 64.25 C ATOM 275 ND1 HIS A 21 4.248 -2.387 -9.338 1.00 23.54 N ATOM 276 CD2 HIS A 21 4.713 -0.267 -9.109 1.00 0.23 C ATOM 277 CE1 HIS A 21 5.423 -2.181 -9.907 1.00 41.14 C ATOM 278 NE2 HIS A 21 5.728 -0.903 -9.783 1.00 14.53 N ATOM 0 H HIS A 21 0.325 -1.269 -6.895 1.00 72.45 H new ATOM 0 HA HIS A 21 2.014 -3.183 -8.104 1.00 12.02 H new ATOM 0 HB2 HIS A 21 1.691 -0.813 -8.831 1.00 72.23 H new ATOM 0 HB3 HIS A 21 2.524 -0.270 -7.388 1.00 72.23 H new ATOM 0 HD2 HIS A 21 4.672 0.782 -8.854 1.00 0.23 H new ATOM 0 HE1 HIS A 21 6.030 -2.931 -10.391 1.00 41.14 H new ATOM 0 HE2 HIS A 21 6.578 -0.460 -10.131 1.00 14.53 H new ATOM 285 N LEU A 22 3.066 -1.916 -5.232 1.00 62.40 N ATOM 286 CA LEU A 22 3.990 -2.134 -4.124 1.00 22.10 C ATOM 287 C LEU A 22 3.832 -3.540 -3.552 1.00 11.14 C ATOM 288 O LEU A 22 4.818 -4.206 -3.233 1.00 42.23 O ATOM 289 CB LEU A 22 3.756 -1.094 -3.027 1.00 60.32 C ATOM 290 CG LEU A 22 4.172 0.338 -3.360 1.00 2.21 C ATOM 291 CD1 LEU A 22 4.027 1.234 -2.140 1.00 2.52 C ATOM 292 CD2 LEU A 22 5.601 0.372 -3.882 1.00 23.03 C ATOM 0 H LEU A 22 2.439 -1.121 -5.108 1.00 62.40 H new ATOM 0 HA LEU A 22 5.006 -2.029 -4.504 1.00 22.10 H new ATOM 0 HB2 LEU A 22 2.696 -1.094 -2.775 1.00 60.32 H new ATOM 0 HB3 LEU A 22 4.296 -1.409 -2.134 1.00 60.32 H new ATOM 0 HG LEU A 22 3.512 0.714 -4.142 1.00 2.21 H new ATOM 0 HD11 LEU A 22 4.328 2.250 -2.397 1.00 2.52 H new ATOM 0 HD12 LEU A 22 2.988 1.236 -1.811 1.00 2.52 H new ATOM 0 HD13 LEU A 22 4.661 0.860 -1.336 1.00 2.52 H new ATOM 0 HD21 LEU A 22 5.879 1.400 -4.114 1.00 23.03 H new ATOM 0 HD22 LEU A 22 6.275 -0.024 -3.123 1.00 23.03 H new ATOM 0 HD23 LEU A 22 5.673 -0.236 -4.784 1.00 23.03 H new ATOM 303 N VAL A 23 2.587 -3.985 -3.424 1.00 12.51 N ATOM 304 CA VAL A 23 2.300 -5.312 -2.892 1.00 4.40 C ATOM 305 C VAL A 23 2.790 -6.401 -3.841 1.00 75.11 C ATOM 306 O VAL A 23 3.469 -7.339 -3.426 1.00 20.55 O ATOM 307 CB VAL A 23 0.792 -5.503 -2.645 1.00 53.40 C ATOM 308 CG1 VAL A 23 0.490 -6.947 -2.274 1.00 25.31 C ATOM 309 CG2 VAL A 23 0.306 -4.553 -1.560 1.00 42.31 C ATOM 0 H VAL A 23 1.760 -3.446 -3.681 1.00 12.51 H new ATOM 0 HA VAL A 23 2.830 -5.395 -1.943 1.00 4.40 H new ATOM 0 HB VAL A 23 0.258 -5.270 -3.566 1.00 53.40 H new ATOM 0 HG11 VAL A 23 -0.580 -7.063 -2.103 1.00 25.31 H new ATOM 0 HG12 VAL A 23 0.801 -7.604 -3.086 1.00 25.31 H new ATOM 0 HG13 VAL A 23 1.033 -7.211 -1.366 1.00 25.31 H new ATOM 0 HG21 VAL A 23 -0.762 -4.701 -1.398 1.00 42.31 H new ATOM 0 HG22 VAL A 23 0.845 -4.753 -0.634 1.00 42.31 H new ATOM 0 HG23 VAL A 23 0.486 -3.524 -1.870 1.00 42.31 H new ATOM 319 N ALA A 24 2.440 -6.269 -5.116 1.00 20.05 N ATOM 320 CA ALA A 24 2.847 -7.240 -6.124 1.00 64.32 C ATOM 321 C ALA A 24 4.364 -7.387 -6.164 1.00 62.51 C ATOM 322 O ALA A 24 4.889 -8.501 -6.146 1.00 12.42 O ATOM 323 CB ALA A 24 2.318 -6.834 -7.491 1.00 42.04 C ATOM 0 H ALA A 24 1.876 -5.499 -5.475 1.00 20.05 H new ATOM 0 HA ALA A 24 2.422 -8.207 -5.854 1.00 64.32 H new ATOM 0 HB1 ALA A 24 2.629 -7.568 -8.234 1.00 42.04 H new ATOM 0 HB2 ALA A 24 1.229 -6.788 -7.461 1.00 42.04 H new ATOM 0 HB3 ALA A 24 2.716 -5.855 -7.759 1.00 42.04 H new ATOM 329 N GLU A 25 5.063 -6.258 -6.219 1.00 22.12 N ATOM 330 CA GLU A 25 6.520 -6.262 -6.264 1.00 34.50 C ATOM 331 C GLU A 25 7.102 -6.834 -4.974 1.00 53.15 C ATOM 332 O GLU A 25 8.196 -7.397 -4.970 1.00 33.30 O ATOM 333 CB GLU A 25 7.051 -4.846 -6.492 1.00 54.04 C ATOM 334 CG GLU A 25 6.636 -4.247 -7.826 1.00 75.53 C ATOM 335 CD GLU A 25 7.790 -3.580 -8.549 1.00 52.34 C ATOM 336 OE1 GLU A 25 8.237 -2.509 -8.092 1.00 33.15 O ATOM 337 OE2 GLU A 25 8.244 -4.130 -9.574 1.00 71.34 O ATOM 0 H GLU A 25 4.643 -5.328 -6.233 1.00 22.12 H new ATOM 0 HA GLU A 25 6.830 -6.895 -7.095 1.00 34.50 H new ATOM 0 HB2 GLU A 25 6.697 -4.201 -5.688 1.00 54.04 H new ATOM 0 HB3 GLU A 25 8.139 -4.861 -6.433 1.00 54.04 H new ATOM 0 HG2 GLU A 25 6.220 -5.031 -8.459 1.00 75.53 H new ATOM 0 HG3 GLU A 25 5.844 -3.516 -7.662 1.00 75.53 H new ATOM 342 N ARG A 26 6.362 -6.683 -3.881 1.00 14.23 N ATOM 343 CA ARG A 26 6.804 -7.181 -2.583 1.00 65.03 C ATOM 344 C ARG A 26 6.570 -8.685 -2.471 1.00 73.43 C ATOM 345 O ARG A 26 7.129 -9.347 -1.596 1.00 54.41 O ATOM 346 CB ARG A 26 6.069 -6.454 -1.456 1.00 42.05 C ATOM 347 CG ARG A 26 6.635 -5.078 -1.148 1.00 2.43 C ATOM 348 CD ARG A 26 7.564 -5.113 0.055 1.00 43.23 C ATOM 349 NE ARG A 26 8.920 -5.513 -0.312 1.00 3.34 N ATOM 350 CZ ARG A 26 9.790 -4.700 -0.901 1.00 21.55 C ATOM 351 NH1 ARG A 26 9.449 -3.452 -1.188 1.00 32.54 N ATOM 352 NH2 ARG A 26 11.007 -5.137 -1.204 1.00 71.25 N ATOM 0 H ARG A 26 5.453 -6.220 -3.868 1.00 14.23 H new ATOM 0 HA ARG A 26 7.873 -6.988 -2.492 1.00 65.03 H new ATOM 0 HB2 ARG A 26 5.018 -6.353 -1.725 1.00 42.05 H new ATOM 0 HB3 ARG A 26 6.110 -7.065 -0.554 1.00 42.05 H new ATOM 0 HG2 ARG A 26 7.177 -4.704 -2.017 1.00 2.43 H new ATOM 0 HG3 ARG A 26 5.818 -4.382 -0.958 1.00 2.43 H new ATOM 0 HD2 ARG A 26 7.590 -4.128 0.521 1.00 43.23 H new ATOM 0 HD3 ARG A 26 7.170 -5.807 0.797 1.00 43.23 H new ATOM 0 HE ARG A 26 9.215 -6.467 -0.105 1.00 3.34 H new ATOM 0 HH11 ARG A 26 8.515 -3.112 -0.957 1.00 32.54 H new ATOM 0 HH12 ARG A 26 10.120 -2.831 -1.640 1.00 32.54 H new ATOM 0 HH21 ARG A 26 11.274 -6.097 -0.984 1.00 71.25 H new ATOM 0 HH22 ARG A 26 11.675 -4.513 -1.656 1.00 71.25 H new ATOM 363 N ALA A 27 5.741 -9.218 -3.361 1.00 64.14 N ATOM 364 CA ALA A 27 5.434 -10.644 -3.364 1.00 13.13 C ATOM 365 C ALA A 27 6.241 -11.378 -4.428 1.00 43.50 C ATOM 366 O ALA A 27 5.993 -12.549 -4.711 1.00 73.43 O ATOM 367 CB ALA A 27 3.944 -10.862 -3.582 1.00 63.40 C ATOM 0 H ALA A 27 5.269 -8.684 -4.091 1.00 64.14 H new ATOM 0 HA ALA A 27 5.711 -11.052 -2.392 1.00 13.13 H new ATOM 0 HB1 ALA A 27 3.729 -11.931 -3.582 1.00 63.40 H new ATOM 0 HB2 ALA A 27 3.385 -10.379 -2.781 1.00 63.40 H new ATOM 0 HB3 ALA A 27 3.650 -10.433 -4.540 1.00 63.40 H new ATOM 373 N GLU A 28 7.207 -10.680 -5.018 1.00 31.33 N ATOM 374 CA GLU A 28 8.050 -11.267 -6.054 1.00 55.12 C ATOM 375 C GLU A 28 7.229 -11.601 -7.297 1.00 23.32 C ATOM 376 O GLU A 28 7.465 -12.616 -7.955 1.00 51.45 O ATOM 377 CB GLU A 28 8.738 -12.528 -5.528 1.00 64.10 C ATOM 378 CG GLU A 28 10.027 -12.867 -6.259 1.00 50.34 C ATOM 379 CD GLU A 28 11.253 -12.297 -5.574 1.00 12.33 C ATOM 380 OE1 GLU A 28 11.684 -12.874 -4.554 1.00 55.10 O ATOM 381 OE2 GLU A 28 11.782 -11.274 -6.057 1.00 54.14 O ATOM 0 H GLU A 28 7.425 -9.708 -4.797 1.00 31.33 H new ATOM 0 HA GLU A 28 8.810 -10.535 -6.328 1.00 55.12 H new ATOM 0 HB2 GLU A 28 8.955 -12.398 -4.468 1.00 64.10 H new ATOM 0 HB3 GLU A 28 8.050 -13.369 -5.612 1.00 64.10 H new ATOM 0 HG2 GLU A 28 10.126 -13.950 -6.330 1.00 50.34 H new ATOM 0 HG3 GLU A 28 9.974 -12.484 -7.278 1.00 50.34 H new ATOM 386 N LEU A 29 6.265 -10.743 -7.611 1.00 62.31 N ATOM 387 CA LEU A 29 5.409 -10.947 -8.774 1.00 51.24 C ATOM 388 C LEU A 29 4.987 -9.612 -9.381 1.00 43.11 C ATOM 389 O LEU A 29 5.030 -8.566 -8.732 1.00 21.31 O ATOM 390 CB LEU A 29 4.171 -11.757 -8.385 1.00 72.12 C ATOM 391 CG LEU A 29 4.329 -13.278 -8.410 1.00 30.12 C ATOM 392 CD1 LEU A 29 3.725 -13.897 -7.159 1.00 70.11 C ATOM 393 CD2 LEU A 29 3.686 -13.860 -9.660 1.00 3.02 C ATOM 0 H LEU A 29 6.057 -9.900 -7.077 1.00 62.31 H new ATOM 0 HA LEU A 29 5.978 -11.501 -9.520 1.00 51.24 H new ATOM 0 HB2 LEU A 29 3.868 -11.460 -7.381 1.00 72.12 H new ATOM 0 HB3 LEU A 29 3.357 -11.485 -9.058 1.00 72.12 H new ATOM 0 HG LEU A 29 5.393 -13.514 -8.430 1.00 30.12 H new ATOM 0 HD11 LEU A 29 3.846 -14.980 -7.194 1.00 70.11 H new ATOM 0 HD12 LEU A 29 4.231 -13.503 -6.278 1.00 70.11 H new ATOM 0 HD13 LEU A 29 2.664 -13.652 -7.108 1.00 70.11 H new ATOM 0 HD21 LEU A 29 3.808 -14.943 -9.661 1.00 3.02 H new ATOM 0 HD22 LEU A 29 2.624 -13.614 -9.671 1.00 3.02 H new ATOM 0 HD23 LEU A 29 4.165 -13.440 -10.545 1.00 3.02 H new ATOM 404 N PRO A 30 4.567 -9.647 -10.654 1.00 2.14 N ATOM 405 CA PRO A 30 4.127 -8.449 -11.375 1.00 22.11 C ATOM 406 C PRO A 30 2.801 -7.911 -10.850 1.00 41.33 C ATOM 407 O PRO A 30 2.018 -8.644 -10.246 1.00 3.30 O ATOM 408 CB PRO A 30 3.972 -8.940 -12.817 1.00 44.10 C ATOM 409 CG PRO A 30 3.716 -10.402 -12.694 1.00 73.12 C ATOM 410 CD PRO A 30 4.490 -10.858 -11.488 1.00 10.13 C ATOM 0 HA PRO A 30 4.832 -7.625 -11.264 1.00 22.11 H new ATOM 0 HB2 PRO A 30 3.148 -8.435 -13.321 1.00 44.10 H new ATOM 0 HB3 PRO A 30 4.871 -8.743 -13.401 1.00 44.10 H new ATOM 0 HG2 PRO A 30 2.651 -10.603 -12.573 1.00 73.12 H new ATOM 0 HG3 PRO A 30 4.041 -10.932 -13.589 1.00 73.12 H new ATOM 0 HD2 PRO A 30 3.983 -11.672 -10.969 1.00 10.13 H new ATOM 0 HD3 PRO A 30 5.481 -11.222 -11.760 1.00 10.13 H new ATOM 415 N VAL A 31 2.554 -6.626 -11.084 1.00 1.31 N ATOM 416 CA VAL A 31 1.321 -5.990 -10.637 1.00 72.35 C ATOM 417 C VAL A 31 0.141 -6.401 -11.511 1.00 20.35 C ATOM 418 O VAL A 31 -1.004 -6.051 -11.229 1.00 14.53 O ATOM 419 CB VAL A 31 1.445 -4.455 -10.649 1.00 51.12 C ATOM 420 CG1 VAL A 31 1.644 -3.947 -12.068 1.00 12.12 C ATOM 421 CG2 VAL A 31 0.219 -3.817 -10.013 1.00 41.22 C ATOM 0 H VAL A 31 3.192 -6.005 -11.581 1.00 1.31 H new ATOM 0 HA VAL A 31 1.145 -6.325 -9.615 1.00 72.35 H new ATOM 0 HB VAL A 31 2.319 -4.174 -10.062 1.00 51.12 H new ATOM 0 HG11 VAL A 31 1.730 -2.860 -12.057 1.00 12.12 H new ATOM 0 HG12 VAL A 31 2.554 -4.378 -12.485 1.00 12.12 H new ATOM 0 HG13 VAL A 31 0.791 -4.237 -12.681 1.00 12.12 H new ATOM 0 HG21 VAL A 31 0.323 -2.732 -10.030 1.00 41.22 H new ATOM 0 HG22 VAL A 31 -0.672 -4.105 -10.571 1.00 41.22 H new ATOM 0 HG23 VAL A 31 0.126 -4.157 -8.981 1.00 41.22 H new ATOM 431 N GLU A 32 0.430 -7.148 -12.572 1.00 14.34 N ATOM 432 CA GLU A 32 -0.608 -7.607 -13.487 1.00 41.42 C ATOM 433 C GLU A 32 -1.288 -8.864 -12.954 1.00 14.03 C ATOM 434 O GLU A 32 -2.440 -9.147 -13.283 1.00 34.34 O ATOM 435 CB GLU A 32 -0.013 -7.883 -14.870 1.00 72.11 C ATOM 436 CG GLU A 32 1.123 -8.892 -14.853 1.00 0.41 C ATOM 437 CD GLU A 32 0.780 -10.171 -15.592 1.00 51.32 C ATOM 438 OE1 GLU A 32 -0.387 -10.611 -15.504 1.00 31.13 O ATOM 439 OE2 GLU A 32 1.675 -10.731 -16.257 1.00 60.13 O ATOM 0 H GLU A 32 1.373 -7.448 -12.819 1.00 14.34 H new ATOM 0 HA GLU A 32 -1.356 -6.819 -13.571 1.00 41.42 H new ATOM 0 HB2 GLU A 32 -0.801 -8.247 -15.529 1.00 72.11 H new ATOM 0 HB3 GLU A 32 0.350 -6.947 -15.294 1.00 72.11 H new ATOM 0 HG2 GLU A 32 2.009 -8.444 -15.303 1.00 0.41 H new ATOM 0 HG3 GLU A 32 1.376 -9.131 -13.820 1.00 0.41 H new ATOM 444 N VAL A 33 -0.566 -9.614 -12.128 1.00 31.30 N ATOM 445 CA VAL A 33 -1.099 -10.842 -11.546 1.00 0.54 C ATOM 446 C VAL A 33 -1.742 -10.572 -10.190 1.00 62.31 C ATOM 447 O VAL A 33 -2.382 -11.450 -9.610 1.00 60.11 O ATOM 448 CB VAL A 33 0.000 -11.907 -11.379 1.00 31.24 C ATOM 449 CG1 VAL A 33 0.669 -12.199 -12.714 1.00 54.41 C ATOM 450 CG2 VAL A 33 1.025 -11.457 -10.347 1.00 50.31 C ATOM 0 H VAL A 33 0.389 -9.394 -11.846 1.00 31.30 H new ATOM 0 HA VAL A 33 -1.855 -11.218 -12.235 1.00 0.54 H new ATOM 0 HB VAL A 33 -0.462 -12.828 -11.022 1.00 31.24 H new ATOM 0 HG11 VAL A 33 1.443 -12.954 -12.576 1.00 54.41 H new ATOM 0 HG12 VAL A 33 -0.075 -12.567 -13.421 1.00 54.41 H new ATOM 0 HG13 VAL A 33 1.119 -11.286 -13.103 1.00 54.41 H new ATOM 0 HG21 VAL A 33 1.795 -12.222 -10.241 1.00 50.31 H new ATOM 0 HG22 VAL A 33 1.483 -10.523 -10.673 1.00 50.31 H new ATOM 0 HG23 VAL A 33 0.532 -11.304 -9.387 1.00 50.31 H new ATOM 460 N LEU A 34 -1.569 -9.354 -9.690 1.00 63.11 N ATOM 461 CA LEU A 34 -2.133 -8.969 -8.402 1.00 32.55 C ATOM 462 C LEU A 34 -3.652 -8.866 -8.481 1.00 73.45 C ATOM 463 O LEU A 34 -4.194 -8.175 -9.345 1.00 35.20 O ATOM 464 CB LEU A 34 -1.544 -7.634 -7.944 1.00 1.33 C ATOM 465 CG LEU A 34 -1.005 -7.592 -6.513 1.00 71.32 C ATOM 466 CD1 LEU A 34 -2.150 -7.576 -5.512 1.00 12.12 C ATOM 467 CD2 LEU A 34 -0.086 -8.777 -6.256 1.00 31.51 C ATOM 0 H LEU A 34 -1.042 -8.616 -10.157 1.00 63.11 H new ATOM 0 HA LEU A 34 -1.877 -9.741 -7.676 1.00 32.55 H new ATOM 0 HB2 LEU A 34 -0.735 -7.365 -8.623 1.00 1.33 H new ATOM 0 HB3 LEU A 34 -2.313 -6.868 -8.044 1.00 1.33 H new ATOM 0 HG LEU A 34 -0.428 -6.676 -6.388 1.00 71.32 H new ATOM 0 HD11 LEU A 34 -1.748 -7.546 -4.499 1.00 12.12 H new ATOM 0 HD12 LEU A 34 -2.770 -6.696 -5.682 1.00 12.12 H new ATOM 0 HD13 LEU A 34 -2.754 -8.475 -5.636 1.00 12.12 H new ATOM 0 HD21 LEU A 34 0.289 -8.732 -5.233 1.00 31.51 H new ATOM 0 HD22 LEU A 34 -0.640 -9.705 -6.399 1.00 31.51 H new ATOM 0 HD23 LEU A 34 0.753 -8.745 -6.951 1.00 31.51 H new ATOM 478 N ARG A 35 -4.335 -9.557 -7.574 1.00 61.21 N ATOM 479 CA ARG A 35 -5.793 -9.543 -7.540 1.00 2.13 C ATOM 480 C ARG A 35 -6.302 -8.654 -6.410 1.00 53.12 C ATOM 481 O ARG A 35 -5.605 -8.430 -5.421 1.00 20.40 O ATOM 482 CB ARG A 35 -6.334 -10.963 -7.370 1.00 71.42 C ATOM 483 CG ARG A 35 -7.290 -11.388 -8.472 1.00 41.13 C ATOM 484 CD ARG A 35 -6.563 -11.602 -9.789 1.00 3.12 C ATOM 485 NE ARG A 35 -6.187 -13.000 -9.987 1.00 53.43 N ATOM 486 CZ ARG A 35 -7.065 -13.971 -10.216 1.00 1.05 C ATOM 487 NH1 ARG A 35 -8.360 -13.697 -10.277 1.00 70.23 N ATOM 488 NH2 ARG A 35 -6.647 -15.218 -10.385 1.00 25.32 N ATOM 0 H ARG A 35 -3.902 -10.134 -6.853 1.00 61.21 H new ATOM 0 HA ARG A 35 -6.150 -9.137 -8.487 1.00 2.13 H new ATOM 0 HB2 ARG A 35 -5.497 -11.660 -7.339 1.00 71.42 H new ATOM 0 HB3 ARG A 35 -6.845 -11.035 -6.410 1.00 71.42 H new ATOM 0 HG2 ARG A 35 -7.796 -12.309 -8.181 1.00 41.13 H new ATOM 0 HG3 ARG A 35 -8.060 -10.628 -8.600 1.00 41.13 H new ATOM 0 HD2 ARG A 35 -7.201 -11.278 -10.612 1.00 3.12 H new ATOM 0 HD3 ARG A 35 -5.669 -10.979 -9.815 1.00 3.12 H new ATOM 0 HE ARG A 35 -5.197 -13.244 -9.947 1.00 53.43 H new ATOM 0 HH11 ARG A 35 -8.685 -12.739 -10.148 1.00 70.23 H new ATOM 0 HH12 ARG A 35 -9.032 -14.444 -10.453 1.00 70.23 H new ATOM 0 HH21 ARG A 35 -5.651 -15.433 -10.339 1.00 25.32 H new ATOM 0 HH22 ARG A 35 -7.322 -15.963 -10.561 1.00 25.32 H new ATOM 499 N ASP A 36 -7.521 -8.150 -6.565 1.00 43.24 N ATOM 500 CA ASP A 36 -8.125 -7.285 -5.557 1.00 61.45 C ATOM 501 C ASP A 36 -8.541 -8.090 -4.330 1.00 33.53 C ATOM 502 O ASP A 36 -8.818 -7.526 -3.271 1.00 71.43 O ATOM 503 CB ASP A 36 -9.337 -6.557 -6.140 1.00 71.04 C ATOM 504 CG ASP A 36 -9.005 -5.804 -7.412 1.00 63.21 C ATOM 505 OD1 ASP A 36 -8.163 -4.884 -7.355 1.00 73.42 O ATOM 506 OD2 ASP A 36 -9.587 -6.135 -8.468 1.00 35.02 O ATOM 0 H ASP A 36 -8.111 -8.325 -7.379 1.00 43.24 H new ATOM 0 HA ASP A 36 -7.381 -6.549 -5.251 1.00 61.45 H new ATOM 0 HB2 ASP A 36 -10.127 -7.280 -6.345 1.00 71.04 H new ATOM 0 HB3 ASP A 36 -9.728 -5.859 -5.400 1.00 71.04 H new ATOM 510 N ASP A 37 -8.581 -9.410 -4.479 1.00 1.52 N ATOM 511 CA ASP A 37 -8.963 -10.291 -3.382 1.00 61.21 C ATOM 512 C ASP A 37 -7.730 -10.905 -2.725 1.00 11.54 C ATOM 513 O ASP A 37 -7.833 -11.583 -1.703 1.00 73.40 O ATOM 514 CB ASP A 37 -9.890 -11.398 -3.888 1.00 10.10 C ATOM 515 CG ASP A 37 -11.148 -10.849 -4.531 1.00 40.43 C ATOM 516 OD1 ASP A 37 -12.119 -10.578 -3.795 1.00 41.54 O ATOM 517 OD2 ASP A 37 -11.162 -10.692 -5.770 1.00 12.23 O ATOM 0 H ASP A 37 -8.354 -9.893 -5.348 1.00 1.52 H new ATOM 0 HA ASP A 37 -9.492 -9.696 -2.638 1.00 61.21 H new ATOM 0 HB2 ASP A 37 -9.355 -12.014 -4.611 1.00 10.10 H new ATOM 0 HB3 ASP A 37 -10.164 -12.047 -3.056 1.00 10.10 H new ATOM 521 N SER A 38 -6.566 -10.662 -3.319 1.00 30.05 N ATOM 522 CA SER A 38 -5.315 -11.194 -2.793 1.00 22.41 C ATOM 523 C SER A 38 -4.995 -10.588 -1.430 1.00 51.14 C ATOM 524 O SER A 38 -4.713 -9.395 -1.320 1.00 24.40 O ATOM 525 CB SER A 38 -4.169 -10.917 -3.768 1.00 21.21 C ATOM 526 OG SER A 38 -4.651 -10.764 -5.092 1.00 20.45 O ATOM 0 H SER A 38 -6.464 -10.100 -4.164 1.00 30.05 H new ATOM 0 HA SER A 38 -5.430 -12.271 -2.673 1.00 22.41 H new ATOM 0 HB2 SER A 38 -3.639 -10.014 -3.464 1.00 21.21 H new ATOM 0 HB3 SER A 38 -3.451 -11.736 -3.732 1.00 21.21 H new ATOM 0 HG SER A 38 -4.687 -9.811 -5.319 1.00 20.45 H new ATOM 531 N ARG A 39 -5.044 -11.419 -0.394 1.00 23.24 N ATOM 532 CA ARG A 39 -4.762 -10.966 0.962 1.00 34.42 C ATOM 533 C ARG A 39 -3.260 -10.816 1.185 1.00 4.32 C ATOM 534 O ARG A 39 -2.454 -11.427 0.482 1.00 3.54 O ATOM 535 CB ARG A 39 -5.343 -11.947 1.982 1.00 72.03 C ATOM 536 CG ARG A 39 -6.716 -12.478 1.603 1.00 44.30 C ATOM 537 CD ARG A 39 -7.590 -12.690 2.829 1.00 1.45 C ATOM 538 NE ARG A 39 -8.285 -11.467 3.223 1.00 43.23 N ATOM 539 CZ ARG A 39 -9.384 -11.456 3.970 1.00 4.42 C ATOM 540 NH1 ARG A 39 -9.908 -12.594 4.401 1.00 54.23 N ATOM 541 NH2 ARG A 39 -9.960 -10.302 4.287 1.00 24.41 N ATOM 0 H ARG A 39 -5.276 -12.409 -0.468 1.00 23.24 H new ATOM 0 HA ARG A 39 -5.231 -9.991 1.096 1.00 34.42 H new ATOM 0 HB2 ARG A 39 -4.657 -12.786 2.097 1.00 72.03 H new ATOM 0 HB3 ARG A 39 -5.409 -11.453 2.952 1.00 72.03 H new ATOM 0 HG2 ARG A 39 -7.203 -11.778 0.924 1.00 44.30 H new ATOM 0 HG3 ARG A 39 -6.607 -13.420 1.065 1.00 44.30 H new ATOM 0 HD2 ARG A 39 -8.321 -13.472 2.623 1.00 1.45 H new ATOM 0 HD3 ARG A 39 -6.974 -13.040 3.657 1.00 1.45 H new ATOM 0 HE ARG A 39 -7.907 -10.574 2.908 1.00 43.23 H new ATOM 0 HH11 ARG A 39 -9.468 -13.482 4.160 1.00 54.23 H new ATOM 0 HH12 ARG A 39 -10.752 -12.582 4.974 1.00 54.23 H new ATOM 0 HH21 ARG A 39 -9.559 -9.424 3.957 1.00 24.41 H new ATOM 0 HH22 ARG A 39 -10.804 -10.294 4.860 1.00 24.41 H new ATOM 552 N PHE A 40 -2.890 -9.999 2.165 1.00 20.02 N ATOM 553 CA PHE A 40 -1.485 -9.768 2.479 1.00 40.30 C ATOM 554 C PHE A 40 -0.912 -10.923 3.295 1.00 40.32 C ATOM 555 O PHE A 40 0.087 -10.766 3.998 1.00 3.23 O ATOM 556 CB PHE A 40 -1.322 -8.455 3.248 1.00 21.14 C ATOM 557 CG PHE A 40 -2.006 -7.288 2.595 1.00 74.11 C ATOM 558 CD1 PHE A 40 -1.479 -6.711 1.452 1.00 42.15 C ATOM 559 CD2 PHE A 40 -3.176 -6.769 3.125 1.00 72.04 C ATOM 560 CE1 PHE A 40 -2.106 -5.637 0.847 1.00 35.11 C ATOM 561 CE2 PHE A 40 -3.808 -5.696 2.526 1.00 51.42 C ATOM 562 CZ PHE A 40 -3.272 -5.128 1.386 1.00 72.23 C ATOM 0 H PHE A 40 -3.544 -9.485 2.756 1.00 20.02 H new ATOM 0 HA PHE A 40 -0.935 -9.702 1.540 1.00 40.30 H new ATOM 0 HB2 PHE A 40 -1.719 -8.582 4.255 1.00 21.14 H new ATOM 0 HB3 PHE A 40 -0.260 -8.233 3.350 1.00 21.14 H new ATOM 0 HD1 PHE A 40 -0.567 -7.104 1.028 1.00 42.15 H new ATOM 0 HD2 PHE A 40 -3.599 -7.208 4.016 1.00 72.04 H new ATOM 0 HE1 PHE A 40 -1.685 -5.197 -0.045 1.00 35.11 H new ATOM 0 HE2 PHE A 40 -4.720 -5.302 2.949 1.00 51.42 H new ATOM 0 HZ PHE A 40 -3.763 -4.288 0.917 1.00 72.23 H new ATOM 571 N LEU A 41 -1.552 -12.082 3.197 1.00 65.52 N ATOM 572 CA LEU A 41 -1.108 -13.266 3.925 1.00 2.14 C ATOM 573 C LEU A 41 -1.644 -14.538 3.277 1.00 62.13 C ATOM 574 O LEU A 41 -0.936 -15.541 3.175 1.00 55.31 O ATOM 575 CB LEU A 41 -1.563 -13.192 5.384 1.00 41.03 C ATOM 576 CG LEU A 41 -0.616 -12.478 6.348 1.00 0.14 C ATOM 577 CD1 LEU A 41 -1.239 -12.374 7.731 1.00 33.11 C ATOM 578 CD2 LEU A 41 0.721 -13.201 6.416 1.00 61.42 C ATOM 0 H LEU A 41 -2.381 -12.228 2.620 1.00 65.52 H new ATOM 0 HA LEU A 41 -0.019 -13.295 3.891 1.00 2.14 H new ATOM 0 HB2 LEU A 41 -2.529 -12.689 5.417 1.00 41.03 H new ATOM 0 HB3 LEU A 41 -1.720 -14.208 5.746 1.00 41.03 H new ATOM 0 HG LEU A 41 -0.442 -11.469 5.974 1.00 0.14 H new ATOM 0 HD11 LEU A 41 -0.550 -11.863 8.403 1.00 33.11 H new ATOM 0 HD12 LEU A 41 -2.170 -11.811 7.669 1.00 33.11 H new ATOM 0 HD13 LEU A 41 -1.444 -13.374 8.114 1.00 33.11 H new ATOM 0 HD21 LEU A 41 1.382 -12.678 7.107 1.00 61.42 H new ATOM 0 HD22 LEU A 41 0.565 -14.222 6.765 1.00 61.42 H new ATOM 0 HD23 LEU A 41 1.174 -13.221 5.425 1.00 61.42 H new ATOM 589 N ASP A 42 -2.897 -14.490 2.838 1.00 11.42 N ATOM 590 CA ASP A 42 -3.528 -15.637 2.196 1.00 22.34 C ATOM 591 C ASP A 42 -2.728 -16.084 0.976 1.00 30.41 C ATOM 592 O ASP A 42 -2.356 -17.252 0.860 1.00 4.31 O ATOM 593 CB ASP A 42 -4.960 -15.295 1.785 1.00 13.22 C ATOM 594 CG ASP A 42 -5.786 -16.529 1.482 1.00 73.20 C ATOM 595 OD1 ASP A 42 -5.795 -17.456 2.319 1.00 54.14 O ATOM 596 OD2 ASP A 42 -6.422 -16.569 0.408 1.00 63.31 O ATOM 0 H ASP A 42 -3.496 -13.668 2.915 1.00 11.42 H new ATOM 0 HA ASP A 42 -3.551 -16.457 2.914 1.00 22.34 H new ATOM 0 HB2 ASP A 42 -5.439 -14.728 2.584 1.00 13.22 H new ATOM 0 HB3 ASP A 42 -4.939 -14.651 0.906 1.00 13.22 H new ATOM 600 N ASP A 43 -2.467 -15.148 0.071 1.00 44.10 N ATOM 601 CA ASP A 43 -1.712 -15.446 -1.141 1.00 62.31 C ATOM 602 C ASP A 43 -0.402 -14.664 -1.170 1.00 0.11 C ATOM 603 O ASP A 43 0.669 -15.236 -1.375 1.00 1.34 O ATOM 604 CB ASP A 43 -2.544 -15.117 -2.381 1.00 53.41 C ATOM 605 CG ASP A 43 -3.129 -16.356 -3.030 1.00 50.43 C ATOM 606 OD1 ASP A 43 -2.392 -17.352 -3.181 1.00 1.14 O ATOM 607 OD2 ASP A 43 -4.326 -16.329 -3.388 1.00 34.20 O ATOM 0 H ASP A 43 -2.767 -14.177 0.153 1.00 44.10 H new ATOM 0 HA ASP A 43 -1.480 -16.511 -1.142 1.00 62.31 H new ATOM 0 HB2 ASP A 43 -3.352 -14.440 -2.104 1.00 53.41 H new ATOM 0 HB3 ASP A 43 -1.921 -14.591 -3.104 1.00 53.41 H new ATOM 611 N LEU A 44 -0.496 -13.355 -0.966 1.00 12.41 N ATOM 612 CA LEU A 44 0.680 -12.494 -0.970 1.00 4.14 C ATOM 613 C LEU A 44 1.669 -12.915 0.113 1.00 71.33 C ATOM 614 O LEU A 44 2.869 -12.662 0.007 1.00 44.02 O ATOM 615 CB LEU A 44 0.271 -11.035 -0.761 1.00 73.21 C ATOM 616 CG LEU A 44 -0.881 -10.530 -1.632 1.00 2.33 C ATOM 617 CD1 LEU A 44 -1.454 -9.241 -1.064 1.00 63.31 C ATOM 618 CD2 LEU A 44 -0.413 -10.322 -3.065 1.00 44.13 C ATOM 0 H LEU A 44 -1.375 -12.867 -0.796 1.00 12.41 H new ATOM 0 HA LEU A 44 1.167 -12.594 -1.940 1.00 4.14 H new ATOM 0 HB2 LEU A 44 -0.005 -10.902 0.285 1.00 73.21 H new ATOM 0 HB3 LEU A 44 1.141 -10.405 -0.943 1.00 73.21 H new ATOM 0 HG LEU A 44 -1.669 -11.284 -1.633 1.00 2.33 H new ATOM 0 HD11 LEU A 44 -2.272 -8.897 -1.697 1.00 63.31 H new ATOM 0 HD12 LEU A 44 -1.826 -9.422 -0.056 1.00 63.31 H new ATOM 0 HD13 LEU A 44 -0.675 -8.479 -1.032 1.00 63.31 H new ATOM 0 HD21 LEU A 44 -1.245 -9.963 -3.671 1.00 44.13 H new ATOM 0 HD22 LEU A 44 0.392 -9.587 -3.082 1.00 44.13 H new ATOM 0 HD23 LEU A 44 -0.051 -11.267 -3.470 1.00 44.13 H new ATOM 629 N HIS A 45 1.156 -13.564 1.154 1.00 71.01 N ATOM 630 CA HIS A 45 1.993 -14.024 2.256 1.00 30.10 C ATOM 631 C HIS A 45 2.934 -12.917 2.724 1.00 42.11 C ATOM 632 O HIS A 45 4.099 -12.872 2.329 1.00 73.12 O ATOM 633 CB HIS A 45 2.801 -15.251 1.832 1.00 4.24 C ATOM 634 CG HIS A 45 3.651 -15.817 2.928 1.00 51.35 C ATOM 635 ND1 HIS A 45 4.691 -16.693 2.699 1.00 42.32 N ATOM 636 CD2 HIS A 45 3.610 -15.627 4.268 1.00 1.44 C ATOM 637 CE1 HIS A 45 5.252 -17.018 3.849 1.00 33.13 C ATOM 638 NE2 HIS A 45 4.615 -16.384 4.817 1.00 31.53 N ATOM 0 H HIS A 45 0.165 -13.783 1.257 1.00 71.01 H new ATOM 0 HA HIS A 45 1.341 -14.296 3.086 1.00 30.10 H new ATOM 0 HB2 HIS A 45 2.116 -16.022 1.479 1.00 4.24 H new ATOM 0 HB3 HIS A 45 3.439 -14.982 0.990 1.00 4.24 H new ATOM 0 HD2 HIS A 45 2.916 -14.997 4.805 1.00 1.44 H new ATOM 0 HE1 HIS A 45 6.089 -17.688 3.977 1.00 33.13 H new ATOM 0 HE2 HIS A 45 4.834 -16.447 5.811 1.00 31.53 H new ATOM 645 N MET A 46 2.419 -12.026 3.565 1.00 62.20 N ATOM 646 CA MET A 46 3.214 -10.920 4.086 1.00 3.20 C ATOM 647 C MET A 46 2.941 -10.707 5.571 1.00 71.24 C ATOM 648 O MET A 46 1.821 -10.382 5.966 1.00 13.41 O ATOM 649 CB MET A 46 2.910 -9.637 3.310 1.00 14.44 C ATOM 650 CG MET A 46 2.792 -9.848 1.809 1.00 73.00 C ATOM 651 SD MET A 46 1.631 -8.705 1.037 1.00 0.43 S ATOM 652 CE MET A 46 2.616 -7.209 0.979 1.00 31.34 C ATOM 0 H MET A 46 1.456 -12.048 3.900 1.00 62.20 H new ATOM 0 HA MET A 46 4.267 -11.171 3.961 1.00 3.20 H new ATOM 0 HB2 MET A 46 1.980 -9.209 3.683 1.00 14.44 H new ATOM 0 HB3 MET A 46 3.697 -8.909 3.506 1.00 14.44 H new ATOM 0 HG2 MET A 46 3.774 -9.728 1.351 1.00 73.00 H new ATOM 0 HG3 MET A 46 2.472 -10.872 1.614 1.00 73.00 H new ATOM 0 HE1 MET A 46 2.133 -6.480 0.328 1.00 31.34 H new ATOM 0 HE2 MET A 46 2.708 -6.795 1.983 1.00 31.34 H new ATOM 0 HE3 MET A 46 3.608 -7.441 0.590 1.00 31.34 H new ATOM 660 N SER A 47 3.971 -10.892 6.390 1.00 41.22 N ATOM 661 CA SER A 47 3.841 -10.724 7.833 1.00 53.22 C ATOM 662 C SER A 47 3.440 -9.293 8.179 1.00 44.32 C ATOM 663 O SER A 47 3.690 -8.364 7.411 1.00 13.34 O ATOM 664 CB SER A 47 5.155 -11.080 8.530 1.00 32.40 C ATOM 665 OG SER A 47 5.677 -12.304 8.041 1.00 10.02 O ATOM 0 H SER A 47 4.905 -11.158 6.079 1.00 41.22 H new ATOM 0 HA SER A 47 3.059 -11.397 8.183 1.00 53.22 H new ATOM 0 HB2 SER A 47 5.881 -10.283 8.373 1.00 32.40 H new ATOM 0 HB3 SER A 47 4.991 -11.155 9.605 1.00 32.40 H new ATOM 0 HG SER A 47 6.518 -12.508 8.501 1.00 10.02 H new ATOM 670 N SER A 48 2.815 -9.125 9.340 1.00 50.40 N ATOM 671 CA SER A 48 2.375 -7.809 9.787 1.00 51.53 C ATOM 672 C SER A 48 3.498 -6.786 9.653 1.00 34.14 C ATOM 673 O SER A 48 3.261 -5.629 9.303 1.00 62.11 O ATOM 674 CB SER A 48 1.899 -7.873 11.240 1.00 74.11 C ATOM 675 OG SER A 48 0.486 -7.945 11.311 1.00 70.21 O ATOM 0 H SER A 48 2.602 -9.884 9.988 1.00 50.40 H new ATOM 0 HA SER A 48 1.545 -7.497 9.153 1.00 51.53 H new ATOM 0 HB2 SER A 48 2.336 -8.743 11.731 1.00 74.11 H new ATOM 0 HB3 SER A 48 2.249 -6.993 11.780 1.00 74.11 H new ATOM 0 HG SER A 48 0.207 -7.987 12.250 1.00 70.21 H new ATOM 680 N ILE A 49 4.723 -7.220 9.935 1.00 45.54 N ATOM 681 CA ILE A 49 5.883 -6.343 9.844 1.00 21.11 C ATOM 682 C ILE A 49 6.260 -6.077 8.391 1.00 51.31 C ATOM 683 O ILE A 49 6.596 -4.952 8.021 1.00 4.24 O ATOM 684 CB ILE A 49 7.099 -6.942 10.576 1.00 13.14 C ATOM 685 CG1 ILE A 49 6.816 -7.053 12.076 1.00 43.23 C ATOM 686 CG2 ILE A 49 8.338 -6.094 10.327 1.00 63.22 C ATOM 687 CD1 ILE A 49 6.457 -5.733 12.722 1.00 11.35 C ATOM 0 H ILE A 49 4.937 -8.173 10.228 1.00 45.54 H new ATOM 0 HA ILE A 49 5.606 -5.403 10.322 1.00 21.11 H new ATOM 0 HB ILE A 49 7.282 -7.943 10.185 1.00 13.14 H new ATOM 0 HG12 ILE A 49 6.000 -7.759 12.232 1.00 43.23 H new ATOM 0 HG13 ILE A 49 7.694 -7.465 12.574 1.00 43.23 H new ATOM 0 HG21 ILE A 49 9.189 -6.530 10.851 1.00 63.22 H new ATOM 0 HG22 ILE A 49 8.548 -6.062 9.258 1.00 63.22 H new ATOM 0 HG23 ILE A 49 8.166 -5.082 10.694 1.00 63.22 H new ATOM 0 HD11 ILE A 49 6.270 -5.887 13.785 1.00 11.35 H new ATOM 0 HD12 ILE A 49 7.281 -5.031 12.597 1.00 11.35 H new ATOM 0 HD13 ILE A 49 5.561 -5.329 12.250 1.00 11.35 H new ATOM 698 N THR A 50 6.199 -7.120 7.569 1.00 1.21 N ATOM 699 CA THR A 50 6.533 -6.999 6.155 1.00 71.04 C ATOM 700 C THR A 50 5.595 -6.027 5.449 1.00 35.33 C ATOM 701 O THR A 50 6.004 -5.302 4.544 1.00 4.53 O ATOM 702 CB THR A 50 6.467 -8.364 5.445 1.00 44.24 C ATOM 703 OG1 THR A 50 7.386 -9.278 6.052 1.00 32.32 O ATOM 704 CG2 THR A 50 6.791 -8.220 3.965 1.00 24.43 C ATOM 0 H THR A 50 5.921 -8.058 7.858 1.00 1.21 H new ATOM 0 HA THR A 50 7.553 -6.618 6.103 1.00 71.04 H new ATOM 0 HB THR A 50 5.453 -8.751 5.544 1.00 44.24 H new ATOM 0 HG1 THR A 50 7.336 -10.144 5.595 1.00 32.32 H new ATOM 0 HG21 THR A 50 6.738 -9.197 3.484 1.00 24.43 H new ATOM 0 HG22 THR A 50 6.072 -7.547 3.499 1.00 24.43 H new ATOM 0 HG23 THR A 50 7.796 -7.813 3.850 1.00 24.43 H new ATOM 712 N VAL A 51 4.335 -6.015 5.873 1.00 62.13 N ATOM 713 CA VAL A 51 3.338 -5.129 5.282 1.00 3.00 C ATOM 714 C VAL A 51 3.665 -3.667 5.567 1.00 73.20 C ATOM 715 O VAL A 51 3.699 -2.839 4.658 1.00 31.41 O ATOM 716 CB VAL A 51 1.926 -5.440 5.812 1.00 72.35 C ATOM 717 CG1 VAL A 51 0.870 -4.785 4.935 1.00 11.45 C ATOM 718 CG2 VAL A 51 1.706 -6.944 5.891 1.00 1.14 C ATOM 0 H VAL A 51 3.980 -6.608 6.623 1.00 62.13 H new ATOM 0 HA VAL A 51 3.360 -5.301 4.206 1.00 3.00 H new ATOM 0 HB VAL A 51 1.836 -5.029 6.817 1.00 72.35 H new ATOM 0 HG11 VAL A 51 -0.121 -5.016 5.325 1.00 11.45 H new ATOM 0 HG12 VAL A 51 1.017 -3.705 4.934 1.00 11.45 H new ATOM 0 HG13 VAL A 51 0.957 -5.164 3.917 1.00 11.45 H new ATOM 0 HG21 VAL A 51 0.703 -7.146 6.267 1.00 1.14 H new ATOM 0 HG22 VAL A 51 1.815 -7.380 4.898 1.00 1.14 H new ATOM 0 HG23 VAL A 51 2.442 -7.384 6.564 1.00 1.14 H new ATOM 728 N GLY A 52 3.907 -3.357 6.837 1.00 22.12 N ATOM 729 CA GLY A 52 4.229 -1.995 7.221 1.00 3.52 C ATOM 730 C GLY A 52 5.445 -1.460 6.491 1.00 3.50 C ATOM 731 O GLY A 52 5.569 -0.253 6.281 1.00 53.04 O ATOM 0 H GLY A 52 3.886 -4.025 7.607 1.00 22.12 H new ATOM 0 HA2 GLY A 52 3.374 -1.351 7.017 1.00 3.52 H new ATOM 0 HA3 GLY A 52 4.408 -1.956 8.296 1.00 3.52 H new ATOM 735 N GLN A 53 6.345 -2.359 6.105 1.00 12.02 N ATOM 736 CA GLN A 53 7.558 -1.968 5.397 1.00 33.24 C ATOM 737 C GLN A 53 7.223 -1.326 4.055 1.00 10.11 C ATOM 738 O GLN A 53 7.762 -0.276 3.706 1.00 13.34 O ATOM 739 CB GLN A 53 8.462 -3.183 5.182 1.00 72.43 C ATOM 740 CG GLN A 53 8.807 -3.920 6.467 1.00 51.52 C ATOM 741 CD GLN A 53 10.254 -3.730 6.879 1.00 42.44 C ATOM 742 OE1 GLN A 53 10.572 -2.855 7.684 1.00 70.41 O ATOM 743 NE2 GLN A 53 11.139 -4.551 6.326 1.00 41.13 N ATOM 0 H GLN A 53 6.257 -3.362 6.270 1.00 12.02 H new ATOM 0 HA GLN A 53 8.084 -1.235 6.008 1.00 33.24 H new ATOM 0 HB2 GLN A 53 7.971 -3.874 4.497 1.00 72.43 H new ATOM 0 HB3 GLN A 53 9.384 -2.858 4.700 1.00 72.43 H new ATOM 0 HG2 GLN A 53 8.156 -3.570 7.268 1.00 51.52 H new ATOM 0 HG3 GLN A 53 8.607 -4.984 6.336 1.00 51.52 H new ATOM 0 HE21 GLN A 53 10.830 -5.262 5.663 1.00 41.13 H new ATOM 0 HE22 GLN A 53 12.128 -4.471 6.564 1.00 41.13 H new ATOM 750 N LEU A 54 6.330 -1.965 3.306 1.00 3.41 N ATOM 751 CA LEU A 54 5.923 -1.456 2.001 1.00 32.03 C ATOM 752 C LEU A 54 4.849 -0.382 2.146 1.00 34.11 C ATOM 753 O LEU A 54 4.776 0.551 1.345 1.00 62.54 O ATOM 754 CB LEU A 54 5.403 -2.597 1.126 1.00 63.44 C ATOM 755 CG LEU A 54 3.907 -2.894 1.227 1.00 13.43 C ATOM 756 CD1 LEU A 54 3.129 -2.066 0.215 1.00 71.33 C ATOM 757 CD2 LEU A 54 3.641 -4.378 1.022 1.00 24.24 C ATOM 0 H LEU A 54 5.875 -2.836 3.580 1.00 3.41 H new ATOM 0 HA LEU A 54 6.796 -1.010 1.525 1.00 32.03 H new ATOM 0 HB2 LEU A 54 5.638 -2.367 0.087 1.00 63.44 H new ATOM 0 HB3 LEU A 54 5.951 -3.504 1.383 1.00 63.44 H new ATOM 0 HG LEU A 54 3.569 -2.621 2.227 1.00 13.43 H new ATOM 0 HD11 LEU A 54 2.066 -2.291 0.301 1.00 71.33 H new ATOM 0 HD12 LEU A 54 3.293 -1.006 0.409 1.00 71.33 H new ATOM 0 HD13 LEU A 54 3.470 -2.307 -0.792 1.00 71.33 H new ATOM 0 HD21 LEU A 54 2.571 -4.570 1.098 1.00 24.24 H new ATOM 0 HD22 LEU A 54 3.995 -4.678 0.036 1.00 24.24 H new ATOM 0 HD23 LEU A 54 4.167 -4.951 1.786 1.00 24.24 H new ATOM 768 N VAL A 55 4.019 -0.518 3.175 1.00 15.40 N ATOM 769 CA VAL A 55 2.951 0.442 3.428 1.00 63.12 C ATOM 770 C VAL A 55 3.505 1.856 3.569 1.00 65.20 C ATOM 771 O VAL A 55 2.860 2.827 3.178 1.00 0.32 O ATOM 772 CB VAL A 55 2.163 0.082 4.701 1.00 14.55 C ATOM 773 CG1 VAL A 55 1.395 1.291 5.214 1.00 35.01 C ATOM 774 CG2 VAL A 55 1.222 -1.082 4.434 1.00 42.01 C ATOM 0 H VAL A 55 4.066 -1.284 3.847 1.00 15.40 H new ATOM 0 HA VAL A 55 2.279 0.402 2.570 1.00 63.12 H new ATOM 0 HB VAL A 55 2.872 -0.222 5.471 1.00 14.55 H new ATOM 0 HG11 VAL A 55 0.844 1.017 6.114 1.00 35.01 H new ATOM 0 HG12 VAL A 55 2.094 2.094 5.447 1.00 35.01 H new ATOM 0 HG13 VAL A 55 0.696 1.629 4.449 1.00 35.01 H new ATOM 0 HG21 VAL A 55 0.673 -1.323 5.345 1.00 42.01 H new ATOM 0 HG22 VAL A 55 0.518 -0.808 3.648 1.00 42.01 H new ATOM 0 HG23 VAL A 55 1.799 -1.951 4.118 1.00 42.01 H new ATOM 784 N ASN A 56 4.705 1.962 4.130 1.00 2.23 N ATOM 785 CA ASN A 56 5.347 3.257 4.323 1.00 41.32 C ATOM 786 C ASN A 56 5.718 3.885 2.982 1.00 12.12 C ATOM 787 O ASN A 56 5.668 5.104 2.823 1.00 45.20 O ATOM 788 CB ASN A 56 6.597 3.107 5.192 1.00 71.44 C ATOM 789 CG ASN A 56 6.316 3.370 6.658 1.00 75.34 C ATOM 790 OD1 ASN A 56 6.034 4.500 7.055 1.00 52.01 O ATOM 791 ND2 ASN A 56 6.392 2.322 7.472 1.00 12.44 N ATOM 0 H ASN A 56 5.252 1.167 4.459 1.00 2.23 H new ATOM 0 HA ASN A 56 4.639 3.913 4.829 1.00 41.32 H new ATOM 0 HB2 ASN A 56 6.998 2.100 5.077 1.00 71.44 H new ATOM 0 HB3 ASN A 56 7.364 3.798 4.842 1.00 71.44 H new ATOM 0 HD21 ASN A 56 6.213 2.437 8.470 1.00 12.44 H new ATOM 0 HD22 ASN A 56 6.629 1.403 7.099 1.00 12.44 H new ATOM 797 N GLU A 57 6.090 3.043 2.024 1.00 4.14 N ATOM 798 CA GLU A 57 6.470 3.516 0.697 1.00 23.44 C ATOM 799 C GLU A 57 5.251 4.017 -0.072 1.00 74.33 C ATOM 800 O GLU A 57 5.343 4.960 -0.856 1.00 2.34 O ATOM 801 CB GLU A 57 7.160 2.399 -0.089 1.00 61.11 C ATOM 802 CG GLU A 57 7.455 2.765 -1.533 1.00 62.33 C ATOM 803 CD GLU A 57 8.464 3.891 -1.655 1.00 44.25 C ATOM 804 OE1 GLU A 57 9.458 3.881 -0.901 1.00 63.11 O ATOM 805 OE2 GLU A 57 8.257 4.783 -2.505 1.00 64.41 O ATOM 0 H GLU A 57 6.137 2.031 2.141 1.00 4.14 H new ATOM 0 HA GLU A 57 7.166 4.346 0.821 1.00 23.44 H new ATOM 0 HB2 GLU A 57 8.094 2.139 0.409 1.00 61.11 H new ATOM 0 HB3 GLU A 57 6.530 1.510 -0.070 1.00 61.11 H new ATOM 0 HG2 GLU A 57 7.831 1.886 -2.057 1.00 62.33 H new ATOM 0 HG3 GLU A 57 6.528 3.058 -2.026 1.00 62.33 H new ATOM 810 N ALA A 58 4.109 3.376 0.159 1.00 12.33 N ATOM 811 CA ALA A 58 2.872 3.756 -0.511 1.00 13.23 C ATOM 812 C ALA A 58 2.440 5.162 -0.109 1.00 10.33 C ATOM 813 O ALA A 58 2.166 6.006 -0.963 1.00 61.14 O ATOM 814 CB ALA A 58 1.771 2.754 -0.194 1.00 32.24 C ATOM 0 H ALA A 58 4.016 2.592 0.805 1.00 12.33 H new ATOM 0 HA ALA A 58 3.054 3.753 -1.586 1.00 13.23 H new ATOM 0 HB1 ALA A 58 0.853 3.050 -0.701 1.00 32.24 H new ATOM 0 HB2 ALA A 58 2.071 1.763 -0.536 1.00 32.24 H new ATOM 0 HB3 ALA A 58 1.600 2.730 0.882 1.00 32.24 H new ATOM 820 N ALA A 59 2.381 5.409 1.195 1.00 20.02 N ATOM 821 CA ALA A 59 1.985 6.714 1.709 1.00 50.35 C ATOM 822 C ALA A 59 2.954 7.801 1.257 1.00 42.30 C ATOM 823 O ALA A 59 2.551 8.930 0.981 1.00 3.45 O ATOM 824 CB ALA A 59 1.898 6.680 3.228 1.00 23.35 C ATOM 0 H ALA A 59 2.603 4.722 1.915 1.00 20.02 H new ATOM 0 HA ALA A 59 1.001 6.951 1.305 1.00 50.35 H new ATOM 0 HB1 ALA A 59 1.601 7.662 3.598 1.00 23.35 H new ATOM 0 HB2 ALA A 59 1.160 5.939 3.534 1.00 23.35 H new ATOM 0 HB3 ALA A 59 2.871 6.415 3.642 1.00 23.35 H new ATOM 830 N ARG A 60 4.235 7.451 1.184 1.00 54.44 N ATOM 831 CA ARG A 60 5.263 8.398 0.767 1.00 43.33 C ATOM 832 C ARG A 60 4.986 8.914 -0.643 1.00 21.44 C ATOM 833 O ARG A 60 5.113 10.107 -0.913 1.00 13.12 O ATOM 834 CB ARG A 60 6.643 7.741 0.820 1.00 65.04 C ATOM 835 CG ARG A 60 7.768 8.713 1.132 1.00 2.45 C ATOM 836 CD ARG A 60 8.358 9.308 -0.138 1.00 24.42 C ATOM 837 NE ARG A 60 7.998 10.714 -0.302 1.00 21.20 N ATOM 838 CZ ARG A 60 8.499 11.693 0.444 1.00 41.33 C ATOM 839 NH1 ARG A 60 9.375 11.420 1.400 1.00 63.32 N ATOM 840 NH2 ARG A 60 8.122 12.947 0.234 1.00 0.21 N ATOM 0 H ARG A 60 4.585 6.520 1.408 1.00 54.44 H new ATOM 0 HA ARG A 60 5.245 9.243 1.455 1.00 43.33 H new ATOM 0 HB2 ARG A 60 6.633 6.955 1.575 1.00 65.04 H new ATOM 0 HB3 ARG A 60 6.844 7.260 -0.137 1.00 65.04 H new ATOM 0 HG2 ARG A 60 7.393 9.513 1.770 1.00 2.45 H new ATOM 0 HG3 ARG A 60 8.550 8.199 1.692 1.00 2.45 H new ATOM 0 HD2 ARG A 60 9.443 9.212 -0.113 1.00 24.42 H new ATOM 0 HD3 ARG A 60 8.008 8.741 -1.001 1.00 24.42 H new ATOM 0 HE ARG A 60 7.325 10.958 -1.029 1.00 21.20 H new ATOM 0 HH11 ARG A 60 9.666 10.456 1.565 1.00 63.32 H new ATOM 0 HH12 ARG A 60 9.758 12.173 1.971 1.00 63.32 H new ATOM 0 HH21 ARG A 60 7.447 13.160 -0.500 1.00 0.21 H new ATOM 0 HH22 ARG A 60 8.507 13.698 0.807 1.00 0.21 H new ATOM 851 N ALA A 61 4.610 8.005 -1.537 1.00 15.13 N ATOM 852 CA ALA A 61 4.315 8.369 -2.918 1.00 33.51 C ATOM 853 C ALA A 61 3.039 9.199 -3.006 1.00 12.35 C ATOM 854 O ALA A 61 2.957 10.145 -3.788 1.00 43.43 O ATOM 855 CB ALA A 61 4.194 7.119 -3.777 1.00 5.15 C ATOM 0 H ALA A 61 4.503 7.012 -1.330 1.00 15.13 H new ATOM 0 HA ALA A 61 5.139 8.977 -3.293 1.00 33.51 H new ATOM 0 HB1 ALA A 61 3.974 7.404 -4.806 1.00 5.15 H new ATOM 0 HB2 ALA A 61 5.132 6.565 -3.747 1.00 5.15 H new ATOM 0 HB3 ALA A 61 3.389 6.491 -3.394 1.00 5.15 H new ATOM 861 N MET A 62 2.047 8.838 -2.200 1.00 12.32 N ATOM 862 CA MET A 62 0.775 9.551 -2.187 1.00 42.23 C ATOM 863 C MET A 62 0.928 10.927 -1.546 1.00 5.32 C ATOM 864 O MET A 62 0.132 11.830 -1.793 1.00 43.42 O ATOM 865 CB MET A 62 -0.282 8.740 -1.434 1.00 3.21 C ATOM 866 CG MET A 62 -0.566 7.384 -2.059 1.00 22.44 C ATOM 867 SD MET A 62 -1.177 7.511 -3.751 1.00 33.34 S ATOM 868 CE MET A 62 -2.658 8.488 -3.502 1.00 72.53 C ATOM 0 H MET A 62 2.099 8.056 -1.547 1.00 12.32 H new ATOM 0 HA MET A 62 0.453 9.685 -3.220 1.00 42.23 H new ATOM 0 HB2 MET A 62 0.048 8.595 -0.405 1.00 3.21 H new ATOM 0 HB3 MET A 62 -1.208 9.314 -1.394 1.00 3.21 H new ATOM 0 HG2 MET A 62 0.346 6.787 -2.050 1.00 22.44 H new ATOM 0 HG3 MET A 62 -1.300 6.855 -1.451 1.00 22.44 H new ATOM 0 HE1 MET A 62 -3.160 8.638 -4.458 1.00 72.53 H new ATOM 0 HE2 MET A 62 -3.327 7.966 -2.818 1.00 72.53 H new ATOM 0 HE3 MET A 62 -2.389 9.455 -3.078 1.00 72.53 H new ATOM 876 N GLY A 63 1.960 11.078 -0.720 1.00 45.10 N ATOM 877 CA GLY A 63 2.199 12.346 -0.056 1.00 44.51 C ATOM 878 C GLY A 63 1.645 12.375 1.353 1.00 13.45 C ATOM 879 O GLY A 63 1.522 13.442 1.958 1.00 73.34 O ATOM 0 H GLY A 63 2.634 10.345 -0.499 1.00 45.10 H new ATOM 0 HA2 GLY A 63 3.271 12.540 -0.026 1.00 44.51 H new ATOM 0 HA3 GLY A 63 1.746 13.149 -0.638 1.00 44.51 H new ATOM 883 N LEU A 64 1.307 11.204 1.879 1.00 34.40 N ATOM 884 CA LEU A 64 0.761 11.099 3.228 1.00 32.01 C ATOM 885 C LEU A 64 1.855 11.281 4.275 1.00 40.54 C ATOM 886 O LEU A 64 2.954 11.740 3.964 1.00 33.53 O ATOM 887 CB LEU A 64 0.077 9.744 3.419 1.00 4.41 C ATOM 888 CG LEU A 64 -0.779 9.254 2.251 1.00 50.13 C ATOM 889 CD1 LEU A 64 -1.690 8.120 2.696 1.00 24.11 C ATOM 890 CD2 LEU A 64 -1.597 10.400 1.671 1.00 5.04 C ATOM 0 H LEU A 64 1.401 10.313 1.392 1.00 34.40 H new ATOM 0 HA LEU A 64 0.025 11.892 3.357 1.00 32.01 H new ATOM 0 HB2 LEU A 64 0.845 8.997 3.619 1.00 4.41 H new ATOM 0 HB3 LEU A 64 -0.553 9.799 4.307 1.00 4.41 H new ATOM 0 HG LEU A 64 -0.116 8.877 1.473 1.00 50.13 H new ATOM 0 HD11 LEU A 64 -2.292 7.784 1.852 1.00 24.11 H new ATOM 0 HD12 LEU A 64 -1.086 7.291 3.064 1.00 24.11 H new ATOM 0 HD13 LEU A 64 -2.346 8.472 3.492 1.00 24.11 H new ATOM 0 HD21 LEU A 64 -2.200 10.033 0.841 1.00 5.04 H new ATOM 0 HD22 LEU A 64 -2.251 10.807 2.442 1.00 5.04 H new ATOM 0 HD23 LEU A 64 -0.926 11.182 1.314 1.00 5.04 H new ATOM 901 N SER A 65 1.546 10.917 5.516 1.00 64.40 N ATOM 902 CA SER A 65 2.504 11.042 6.609 1.00 45.23 C ATOM 903 C SER A 65 2.140 10.106 7.758 1.00 22.03 C ATOM 904 O SER A 65 2.751 9.052 7.931 1.00 60.02 O ATOM 905 CB SER A 65 2.553 12.487 7.109 1.00 24.02 C ATOM 906 OG SER A 65 1.251 12.982 7.366 1.00 40.11 O ATOM 0 H SER A 65 0.641 10.534 5.789 1.00 64.40 H new ATOM 0 HA SER A 65 3.488 10.762 6.232 1.00 45.23 H new ATOM 0 HB2 SER A 65 3.152 12.540 8.018 1.00 24.02 H new ATOM 0 HB3 SER A 65 3.044 13.116 6.366 1.00 24.02 H new ATOM 0 HG SER A 65 1.310 13.906 7.686 1.00 40.11 H new ATOM 911 N ALA A 66 1.141 10.501 8.541 1.00 24.44 N ATOM 912 CA ALA A 66 0.694 9.698 9.673 1.00 5.33 C ATOM 913 C ALA A 66 -0.194 8.548 9.212 1.00 62.23 C ATOM 914 O ALA A 66 -0.482 7.628 9.978 1.00 31.41 O ATOM 915 CB ALA A 66 -0.044 10.568 10.678 1.00 15.44 C ATOM 0 H ALA A 66 0.626 11.372 8.412 1.00 24.44 H new ATOM 0 HA ALA A 66 1.574 9.272 10.156 1.00 5.33 H new ATOM 0 HB1 ALA A 66 -0.372 9.955 11.518 1.00 15.44 H new ATOM 0 HB2 ALA A 66 0.622 11.352 11.039 1.00 15.44 H new ATOM 0 HB3 ALA A 66 -0.912 11.021 10.199 1.00 15.44 H new ATOM 921 N VAL A 67 -0.626 8.605 7.957 1.00 11.31 N ATOM 922 CA VAL A 67 -1.482 7.567 7.395 1.00 43.44 C ATOM 923 C VAL A 67 -0.789 6.210 7.421 1.00 75.13 C ATOM 924 O VAL A 67 -1.435 5.170 7.292 1.00 25.43 O ATOM 925 CB VAL A 67 -1.885 7.897 5.945 1.00 42.23 C ATOM 926 CG1 VAL A 67 -2.744 6.784 5.363 1.00 11.24 C ATOM 927 CG2 VAL A 67 -2.614 9.231 5.885 1.00 24.31 C ATOM 0 H VAL A 67 -0.397 9.359 7.310 1.00 11.31 H new ATOM 0 HA VAL A 67 -2.378 7.526 8.014 1.00 43.44 H new ATOM 0 HB VAL A 67 -0.979 7.977 5.344 1.00 42.23 H new ATOM 0 HG11 VAL A 67 -3.019 7.035 4.338 1.00 11.24 H new ATOM 0 HG12 VAL A 67 -2.183 5.850 5.370 1.00 11.24 H new ATOM 0 HG13 VAL A 67 -3.647 6.669 5.963 1.00 11.24 H new ATOM 0 HG21 VAL A 67 -2.891 9.448 4.853 1.00 24.31 H new ATOM 0 HG22 VAL A 67 -3.513 9.182 6.500 1.00 24.31 H new ATOM 0 HG23 VAL A 67 -1.961 10.020 6.259 1.00 24.31 H new ATOM 937 N ALA A 68 0.529 6.227 7.591 1.00 44.42 N ATOM 938 CA ALA A 68 1.309 4.997 7.638 1.00 43.42 C ATOM 939 C ALA A 68 0.584 3.917 8.433 1.00 72.20 C ATOM 940 O ALA A 68 0.497 3.989 9.658 1.00 74.35 O ATOM 941 CB ALA A 68 2.682 5.265 8.238 1.00 41.41 C ATOM 0 H ALA A 68 1.079 7.079 7.698 1.00 44.42 H new ATOM 0 HA ALA A 68 1.435 4.637 6.617 1.00 43.42 H new ATOM 0 HB1 ALA A 68 3.254 4.337 8.267 1.00 41.41 H new ATOM 0 HB2 ALA A 68 3.209 5.997 7.627 1.00 41.41 H new ATOM 0 HB3 ALA A 68 2.567 5.652 9.250 1.00 41.41 H new ATOM 947 N MET A 69 0.066 2.917 7.728 1.00 32.32 N ATOM 948 CA MET A 69 -0.652 1.821 8.369 1.00 31.42 C ATOM 949 C MET A 69 -1.929 2.323 9.035 1.00 44.23 C ATOM 950 O MET A 69 -1.969 2.587 10.237 1.00 33.21 O ATOM 951 CB MET A 69 0.242 1.136 9.405 1.00 35.14 C ATOM 952 CG MET A 69 1.680 0.961 8.947 1.00 21.41 C ATOM 953 SD MET A 69 2.449 -0.524 9.624 1.00 51.21 S ATOM 954 CE MET A 69 1.368 -1.793 8.970 1.00 65.11 C ATOM 0 H MET A 69 0.130 2.843 6.713 1.00 32.32 H new ATOM 0 HA MET A 69 -0.925 1.099 7.600 1.00 31.42 H new ATOM 0 HB2 MET A 69 0.231 1.720 10.325 1.00 35.14 H new ATOM 0 HB3 MET A 69 -0.176 0.158 9.644 1.00 35.14 H new ATOM 0 HG2 MET A 69 1.708 0.916 7.858 1.00 21.41 H new ATOM 0 HG3 MET A 69 2.261 1.834 9.244 1.00 21.41 H new ATOM 0 HE1 MET A 69 1.942 -2.702 8.788 1.00 65.11 H new ATOM 0 HE2 MET A 69 0.576 -2.002 9.689 1.00 65.11 H new ATOM 0 HE3 MET A 69 0.928 -1.449 8.034 1.00 65.11 H new ATOM 962 N PRO A 70 -2.998 2.460 8.238 1.00 63.33 N ATOM 963 CA PRO A 70 -4.297 2.931 8.728 1.00 33.10 C ATOM 964 C PRO A 70 -4.979 1.911 9.633 1.00 74.33 C ATOM 965 O PRO A 70 -5.810 2.266 10.471 1.00 24.13 O ATOM 966 CB PRO A 70 -5.108 3.135 7.446 1.00 64.00 C ATOM 967 CG PRO A 70 -4.487 2.213 6.454 1.00 31.03 C ATOM 968 CD PRO A 70 -3.023 2.163 6.795 1.00 34.11 C ATOM 0 HA PRO A 70 -4.201 3.831 9.335 1.00 33.10 H new ATOM 0 HB2 PRO A 70 -6.161 2.898 7.602 1.00 64.00 H new ATOM 0 HB3 PRO A 70 -5.061 4.170 7.108 1.00 64.00 H new ATOM 0 HG2 PRO A 70 -4.935 1.221 6.510 1.00 31.03 H new ATOM 0 HG3 PRO A 70 -4.639 2.574 5.437 1.00 31.03 H new ATOM 0 HD2 PRO A 70 -2.593 1.185 6.579 1.00 34.11 H new ATOM 0 HD3 PRO A 70 -2.452 2.895 6.224 1.00 34.11 H new ATOM 973 N THR A 71 -4.624 0.642 9.460 1.00 34.33 N ATOM 974 CA THR A 71 -5.203 -0.430 10.261 1.00 13.24 C ATOM 975 C THR A 71 -4.557 -1.771 9.934 1.00 42.54 C ATOM 976 O THR A 71 -3.761 -1.876 9.002 1.00 73.23 O ATOM 977 CB THR A 71 -6.724 -0.537 10.041 1.00 12.15 C ATOM 978 OG1 THR A 71 -7.285 -1.485 10.955 1.00 72.45 O ATOM 979 CG2 THR A 71 -7.035 -0.956 8.613 1.00 62.14 C ATOM 0 H THR A 71 -3.938 0.331 8.772 1.00 34.33 H new ATOM 0 HA THR A 71 -5.011 -0.183 11.305 1.00 13.24 H new ATOM 0 HB THR A 71 -7.165 0.444 10.219 1.00 12.15 H new ATOM 0 HG1 THR A 71 -8.252 -1.546 10.810 1.00 72.45 H new ATOM 0 HG21 THR A 71 -8.115 -1.025 8.481 1.00 62.14 H new ATOM 0 HG22 THR A 71 -6.631 -0.217 7.921 1.00 62.14 H new ATOM 0 HG23 THR A 71 -6.582 -1.927 8.412 1.00 62.14 H new ATOM 987 N ASN A 72 -4.907 -2.795 10.706 1.00 23.51 N ATOM 988 CA ASN A 72 -4.362 -4.131 10.497 1.00 23.41 C ATOM 989 C ASN A 72 -4.481 -4.544 9.033 1.00 23.33 C ATOM 990 O ASN A 72 -5.487 -4.272 8.379 1.00 35.40 O ATOM 991 CB ASN A 72 -5.085 -5.146 11.384 1.00 12.42 C ATOM 992 CG ASN A 72 -4.348 -6.468 11.471 1.00 34.22 C ATOM 993 OD1 ASN A 72 -4.361 -7.262 10.531 1.00 3.45 O ATOM 994 ND2 ASN A 72 -3.701 -6.711 12.606 1.00 41.33 N ATOM 0 H ASN A 72 -5.566 -2.725 11.482 1.00 23.51 H new ATOM 0 HA ASN A 72 -3.306 -4.111 10.767 1.00 23.41 H new ATOM 0 HB2 ASN A 72 -5.201 -4.731 12.385 1.00 12.42 H new ATOM 0 HB3 ASN A 72 -6.088 -5.317 10.992 1.00 12.42 H new ATOM 0 HD21 ASN A 72 -3.188 -7.585 12.724 1.00 41.33 H new ATOM 0 HD22 ASN A 72 -3.717 -6.024 13.360 1.00 41.33 H new ATOM 1000 N PHE A 73 -3.445 -5.204 8.524 1.00 2.23 N ATOM 1001 CA PHE A 73 -3.433 -5.655 7.137 1.00 24.14 C ATOM 1002 C PHE A 73 -3.328 -7.175 7.060 1.00 30.25 C ATOM 1003 O PHE A 73 -3.623 -7.777 6.028 1.00 74.14 O ATOM 1004 CB PHE A 73 -2.267 -5.014 6.381 1.00 64.10 C ATOM 1005 CG PHE A 73 -2.523 -3.589 5.981 1.00 0.41 C ATOM 1006 CD1 PHE A 73 -3.542 -3.277 5.096 1.00 2.50 C ATOM 1007 CD2 PHE A 73 -1.746 -2.561 6.491 1.00 71.21 C ATOM 1008 CE1 PHE A 73 -3.779 -1.966 4.726 1.00 50.13 C ATOM 1009 CE2 PHE A 73 -1.979 -1.249 6.126 1.00 22.31 C ATOM 1010 CZ PHE A 73 -2.998 -0.951 5.242 1.00 3.12 C ATOM 0 H PHE A 73 -2.604 -5.438 9.051 1.00 2.23 H new ATOM 0 HA PHE A 73 -4.371 -5.349 6.673 1.00 24.14 H new ATOM 0 HB2 PHE A 73 -1.374 -5.053 7.005 1.00 64.10 H new ATOM 0 HB3 PHE A 73 -2.057 -5.602 5.487 1.00 64.10 H new ATOM 0 HD1 PHE A 73 -4.158 -4.066 4.691 1.00 2.50 H new ATOM 0 HD2 PHE A 73 -0.948 -2.788 7.183 1.00 71.21 H new ATOM 0 HE1 PHE A 73 -4.575 -1.736 4.033 1.00 50.13 H new ATOM 0 HE2 PHE A 73 -1.366 -0.458 6.531 1.00 22.31 H new ATOM 0 HZ PHE A 73 -3.183 0.074 4.955 1.00 3.12 H new ATOM 1019 N ALA A 74 -2.905 -7.790 8.161 1.00 1.13 N ATOM 1020 CA ALA A 74 -2.763 -9.239 8.219 1.00 12.03 C ATOM 1021 C ALA A 74 -4.067 -9.934 7.840 1.00 23.52 C ATOM 1022 O ALA A 74 -4.075 -11.117 7.498 1.00 74.30 O ATOM 1023 CB ALA A 74 -2.318 -9.669 9.609 1.00 64.45 C ATOM 0 H ALA A 74 -2.655 -7.307 9.024 1.00 1.13 H new ATOM 0 HA ALA A 74 -2.002 -9.535 7.497 1.00 12.03 H new ATOM 0 HB1 ALA A 74 -2.216 -10.754 9.639 1.00 64.45 H new ATOM 0 HB2 ALA A 74 -1.359 -9.207 9.843 1.00 64.45 H new ATOM 0 HB3 ALA A 74 -3.060 -9.354 10.342 1.00 64.45 H new ATOM 1029 N THR A 75 -5.167 -9.193 7.903 1.00 55.33 N ATOM 1030 CA THR A 75 -6.477 -9.738 7.568 1.00 63.52 C ATOM 1031 C THR A 75 -7.160 -8.904 6.491 1.00 51.05 C ATOM 1032 O THR A 75 -8.349 -9.079 6.218 1.00 35.34 O ATOM 1033 CB THR A 75 -7.390 -9.806 8.807 1.00 41.31 C ATOM 1034 OG1 THR A 75 -8.669 -10.339 8.443 1.00 72.22 O ATOM 1035 CG2 THR A 75 -7.567 -8.428 9.425 1.00 11.43 C ATOM 0 H THR A 75 -5.178 -8.212 8.183 1.00 55.33 H new ATOM 0 HA THR A 75 -6.313 -10.748 7.191 1.00 63.52 H new ATOM 0 HB THR A 75 -6.920 -10.459 9.543 1.00 41.31 H new ATOM 0 HG1 THR A 75 -9.023 -9.844 7.675 1.00 72.22 H new ATOM 0 HG21 THR A 75 -8.215 -8.501 10.298 1.00 11.43 H new ATOM 0 HG22 THR A 75 -6.595 -8.037 9.726 1.00 11.43 H new ATOM 0 HG23 THR A 75 -8.017 -7.757 8.694 1.00 11.43 H new ATOM 1043 N ALA A 76 -6.404 -7.998 5.880 1.00 32.23 N ATOM 1044 CA ALA A 76 -6.938 -7.139 4.831 1.00 32.32 C ATOM 1045 C ALA A 76 -6.421 -7.563 3.460 1.00 30.04 C ATOM 1046 O ALA A 76 -5.544 -8.421 3.352 1.00 12.02 O ATOM 1047 CB ALA A 76 -6.581 -5.686 5.106 1.00 24.05 C ATOM 0 H ALA A 76 -5.419 -7.840 6.094 1.00 32.23 H new ATOM 0 HA ALA A 76 -8.023 -7.240 4.829 1.00 32.32 H new ATOM 0 HB1 ALA A 76 -6.986 -5.056 4.314 1.00 24.05 H new ATOM 0 HB2 ALA A 76 -7.004 -5.382 6.064 1.00 24.05 H new ATOM 0 HB3 ALA A 76 -5.497 -5.577 5.137 1.00 24.05 H new ATOM 1053 N THR A 77 -6.970 -6.956 2.412 1.00 14.23 N ATOM 1054 CA THR A 77 -6.566 -7.271 1.048 1.00 54.33 C ATOM 1055 C THR A 77 -5.980 -6.049 0.352 1.00 11.34 C ATOM 1056 O THR A 77 -6.087 -4.927 0.849 1.00 31.52 O ATOM 1057 CB THR A 77 -7.752 -7.800 0.219 1.00 13.12 C ATOM 1058 OG1 THR A 77 -8.820 -6.845 0.227 1.00 11.10 O ATOM 1059 CG2 THR A 77 -8.249 -9.127 0.771 1.00 71.40 C ATOM 0 H THR A 77 -7.696 -6.243 2.483 1.00 14.23 H new ATOM 0 HA THR A 77 -5.804 -8.047 1.116 1.00 54.33 H new ATOM 0 HB THR A 77 -7.411 -7.955 -0.804 1.00 13.12 H new ATOM 0 HG1 THR A 77 -9.162 -6.744 1.140 1.00 11.10 H new ATOM 0 HG21 THR A 77 -9.086 -9.481 0.169 1.00 71.40 H new ATOM 0 HG22 THR A 77 -7.443 -9.860 0.737 1.00 71.40 H new ATOM 0 HG23 THR A 77 -8.574 -8.993 1.803 1.00 71.40 H new ATOM 1067 N VAL A 78 -5.359 -6.271 -0.803 1.00 53.45 N ATOM 1068 CA VAL A 78 -4.757 -5.186 -1.569 1.00 73.01 C ATOM 1069 C VAL A 78 -5.766 -4.075 -1.835 1.00 13.04 C ATOM 1070 O VAL A 78 -5.415 -2.895 -1.846 1.00 40.44 O ATOM 1071 CB VAL A 78 -4.200 -5.692 -2.913 1.00 13.51 C ATOM 1072 CG1 VAL A 78 -3.306 -6.902 -2.699 1.00 64.30 C ATOM 1073 CG2 VAL A 78 -5.335 -6.018 -3.871 1.00 63.35 C ATOM 0 H VAL A 78 -5.260 -7.193 -1.228 1.00 53.45 H new ATOM 0 HA VAL A 78 -3.937 -4.791 -0.969 1.00 73.01 H new ATOM 0 HB VAL A 78 -3.597 -4.900 -3.358 1.00 13.51 H new ATOM 0 HG11 VAL A 78 -2.922 -7.245 -3.660 1.00 64.30 H new ATOM 0 HG12 VAL A 78 -2.473 -6.629 -2.052 1.00 64.30 H new ATOM 0 HG13 VAL A 78 -3.881 -7.701 -2.232 1.00 64.30 H new ATOM 0 HG21 VAL A 78 -4.923 -6.374 -4.815 1.00 63.35 H new ATOM 0 HG22 VAL A 78 -5.967 -6.792 -3.436 1.00 63.35 H new ATOM 0 HG23 VAL A 78 -5.929 -5.122 -4.049 1.00 63.35 H new ATOM 1083 N ARG A 79 -7.021 -4.460 -2.046 1.00 23.42 N ATOM 1084 CA ARG A 79 -8.081 -3.496 -2.312 1.00 4.13 C ATOM 1085 C ARG A 79 -8.332 -2.614 -1.093 1.00 50.53 C ATOM 1086 O ARG A 79 -8.562 -1.411 -1.223 1.00 34.34 O ATOM 1087 CB ARG A 79 -9.370 -4.219 -2.706 1.00 11.31 C ATOM 1088 CG ARG A 79 -10.529 -3.281 -3.002 1.00 33.45 C ATOM 1089 CD ARG A 79 -11.404 -3.073 -1.775 1.00 64.51 C ATOM 1090 NE ARG A 79 -12.573 -2.249 -2.069 1.00 5.43 N ATOM 1091 CZ ARG A 79 -13.660 -2.217 -1.308 1.00 44.34 C ATOM 1092 NH1 ARG A 79 -13.729 -2.961 -0.213 1.00 22.01 N ATOM 1093 NH2 ARG A 79 -14.684 -1.442 -1.643 1.00 13.01 N ATOM 0 H ARG A 79 -7.328 -5.433 -2.038 1.00 23.42 H new ATOM 0 HA ARG A 79 -7.761 -2.861 -3.139 1.00 4.13 H new ATOM 0 HB2 ARG A 79 -9.177 -4.834 -3.585 1.00 11.31 H new ATOM 0 HB3 ARG A 79 -9.658 -4.895 -1.901 1.00 11.31 H new ATOM 0 HG2 ARG A 79 -10.143 -2.320 -3.342 1.00 33.45 H new ATOM 0 HG3 ARG A 79 -11.130 -3.689 -3.814 1.00 33.45 H new ATOM 0 HD2 ARG A 79 -11.730 -4.041 -1.394 1.00 64.51 H new ATOM 0 HD3 ARG A 79 -10.817 -2.601 -0.987 1.00 64.51 H new ATOM 0 HE ARG A 79 -12.553 -1.666 -2.906 1.00 5.43 H new ATOM 0 HH11 ARG A 79 -12.945 -3.560 0.047 1.00 22.01 H new ATOM 0 HH12 ARG A 79 -14.566 -2.934 0.370 1.00 22.01 H new ATOM 0 HH21 ARG A 79 -14.636 -0.870 -2.486 1.00 13.01 H new ATOM 0 HH22 ARG A 79 -15.519 -1.418 -1.057 1.00 13.01 H new ATOM 1104 N GLU A 80 -8.287 -3.220 0.089 1.00 50.41 N ATOM 1105 CA GLU A 80 -8.511 -2.488 1.331 1.00 64.32 C ATOM 1106 C GLU A 80 -7.409 -1.459 1.563 1.00 44.32 C ATOM 1107 O GLU A 80 -7.683 -0.300 1.871 1.00 23.10 O ATOM 1108 CB GLU A 80 -8.577 -3.456 2.513 1.00 74.44 C ATOM 1109 CG GLU A 80 -9.832 -4.315 2.529 1.00 23.34 C ATOM 1110 CD GLU A 80 -9.749 -5.451 3.530 1.00 15.34 C ATOM 1111 OE1 GLU A 80 -9.797 -5.172 4.747 1.00 54.31 O ATOM 1112 OE2 GLU A 80 -9.636 -6.617 3.099 1.00 54.54 O ATOM 0 H GLU A 80 -8.098 -4.215 0.213 1.00 50.41 H new ATOM 0 HA GLU A 80 -9.462 -1.962 1.247 1.00 64.32 H new ATOM 0 HB2 GLU A 80 -7.702 -4.106 2.488 1.00 74.44 H new ATOM 0 HB3 GLU A 80 -8.525 -2.887 3.441 1.00 74.44 H new ATOM 0 HG2 GLU A 80 -10.693 -3.690 2.766 1.00 23.34 H new ATOM 0 HG3 GLU A 80 -10.000 -4.725 1.533 1.00 23.34 H new ATOM 1117 N MET A 81 -6.161 -1.893 1.413 1.00 42.23 N ATOM 1118 CA MET A 81 -5.018 -1.009 1.605 1.00 12.23 C ATOM 1119 C MET A 81 -5.006 0.101 0.559 1.00 15.32 C ATOM 1120 O MET A 81 -4.733 1.260 0.873 1.00 24.40 O ATOM 1121 CB MET A 81 -3.714 -1.805 1.535 1.00 23.13 C ATOM 1122 CG MET A 81 -2.470 -0.950 1.713 1.00 22.34 C ATOM 1123 SD MET A 81 -0.970 -1.780 1.151 1.00 3.43 S ATOM 1124 CE MET A 81 -0.627 -2.845 2.550 1.00 42.41 C ATOM 0 H MET A 81 -5.917 -2.850 1.159 1.00 42.23 H new ATOM 0 HA MET A 81 -5.105 -0.553 2.591 1.00 12.23 H new ATOM 0 HB2 MET A 81 -3.727 -2.577 2.304 1.00 23.13 H new ATOM 0 HB3 MET A 81 -3.660 -2.315 0.573 1.00 23.13 H new ATOM 0 HG2 MET A 81 -2.593 -0.018 1.162 1.00 22.34 H new ATOM 0 HG3 MET A 81 -2.362 -0.687 2.765 1.00 22.34 H new ATOM 0 HE1 MET A 81 0.450 -2.976 2.652 1.00 42.41 H new ATOM 0 HE2 MET A 81 -1.025 -2.392 3.458 1.00 42.41 H new ATOM 0 HE3 MET A 81 -1.098 -3.815 2.392 1.00 42.41 H new ATOM 1132 N ALA A 82 -5.306 -0.260 -0.684 1.00 5.24 N ATOM 1133 CA ALA A 82 -5.331 0.706 -1.775 1.00 4.12 C ATOM 1134 C ALA A 82 -6.485 1.689 -1.611 1.00 51.11 C ATOM 1135 O ALA A 82 -6.293 2.902 -1.680 1.00 11.11 O ATOM 1136 CB ALA A 82 -5.432 -0.011 -3.113 1.00 41.01 C ATOM 0 H ALA A 82 -5.535 -1.215 -0.961 1.00 5.24 H new ATOM 0 HA ALA A 82 -4.400 1.272 -1.748 1.00 4.12 H new ATOM 0 HB1 ALA A 82 -5.450 0.723 -3.919 1.00 41.01 H new ATOM 0 HB2 ALA A 82 -4.572 -0.668 -3.240 1.00 41.01 H new ATOM 0 HB3 ALA A 82 -6.347 -0.602 -3.141 1.00 41.01 H new ATOM 1142 N GLU A 83 -7.684 1.156 -1.395 1.00 12.10 N ATOM 1143 CA GLU A 83 -8.869 1.988 -1.223 1.00 65.21 C ATOM 1144 C GLU A 83 -8.722 2.899 -0.009 1.00 14.32 C ATOM 1145 O GLU A 83 -9.186 4.040 -0.016 1.00 41.12 O ATOM 1146 CB GLU A 83 -10.115 1.113 -1.070 1.00 50.12 C ATOM 1147 CG GLU A 83 -10.628 0.549 -2.385 1.00 32.22 C ATOM 1148 CD GLU A 83 -12.007 1.067 -2.744 1.00 1.50 C ATOM 1149 OE1 GLU A 83 -12.315 2.225 -2.390 1.00 0.42 O ATOM 1150 OE2 GLU A 83 -12.777 0.317 -3.379 1.00 13.23 O ATOM 0 H GLU A 83 -7.860 0.153 -1.335 1.00 12.10 H new ATOM 0 HA GLU A 83 -8.977 2.610 -2.111 1.00 65.21 H new ATOM 0 HB2 GLU A 83 -9.889 0.288 -0.394 1.00 50.12 H new ATOM 0 HB3 GLU A 83 -10.906 1.700 -0.603 1.00 50.12 H new ATOM 0 HG2 GLU A 83 -9.930 0.804 -3.182 1.00 32.22 H new ATOM 0 HG3 GLU A 83 -10.658 -0.539 -2.322 1.00 32.22 H new ATOM 1155 N ALA A 84 -8.075 2.388 1.033 1.00 72.32 N ATOM 1156 CA ALA A 84 -7.866 3.155 2.254 1.00 11.52 C ATOM 1157 C ALA A 84 -7.014 4.392 1.986 1.00 73.04 C ATOM 1158 O ALA A 84 -7.344 5.493 2.429 1.00 12.33 O ATOM 1159 CB ALA A 84 -7.216 2.285 3.320 1.00 0.43 C ATOM 0 H ALA A 84 -7.686 1.445 1.056 1.00 72.32 H new ATOM 0 HA ALA A 84 -8.839 3.487 2.616 1.00 11.52 H new ATOM 0 HB1 ALA A 84 -7.066 2.871 4.226 1.00 0.43 H new ATOM 0 HB2 ALA A 84 -7.862 1.435 3.540 1.00 0.43 H new ATOM 0 HB3 ALA A 84 -6.253 1.924 2.958 1.00 0.43 H new ATOM 1165 N LEU A 85 -5.918 4.204 1.260 1.00 20.10 N ATOM 1166 CA LEU A 85 -5.018 5.304 0.934 1.00 2.42 C ATOM 1167 C LEU A 85 -5.659 6.252 -0.075 1.00 52.13 C ATOM 1168 O LEU A 85 -5.608 7.471 0.085 1.00 22.12 O ATOM 1169 CB LEU A 85 -3.700 4.763 0.375 1.00 63.04 C ATOM 1170 CG LEU A 85 -2.846 3.945 1.344 1.00 62.25 C ATOM 1171 CD1 LEU A 85 -1.582 3.454 0.657 1.00 63.31 C ATOM 1172 CD2 LEU A 85 -2.501 4.767 2.576 1.00 31.22 C ATOM 0 H LEU A 85 -5.631 3.300 0.886 1.00 20.10 H new ATOM 0 HA LEU A 85 -4.817 5.859 1.850 1.00 2.42 H new ATOM 0 HB2 LEU A 85 -3.924 4.143 -0.493 1.00 63.04 H new ATOM 0 HB3 LEU A 85 -3.106 5.605 0.020 1.00 63.04 H new ATOM 0 HG LEU A 85 -3.423 3.077 1.662 1.00 62.25 H new ATOM 0 HD11 LEU A 85 -0.987 2.874 1.362 1.00 63.31 H new ATOM 0 HD12 LEU A 85 -1.850 2.827 -0.193 1.00 63.31 H new ATOM 0 HD13 LEU A 85 -1.002 4.309 0.309 1.00 63.31 H new ATOM 0 HD21 LEU A 85 -1.893 4.168 3.254 1.00 31.22 H new ATOM 0 HD22 LEU A 85 -1.944 5.655 2.277 1.00 31.22 H new ATOM 0 HD23 LEU A 85 -3.419 5.068 3.081 1.00 31.22 H new ATOM 1183 N GLU A 86 -6.266 5.682 -1.111 1.00 11.10 N ATOM 1184 CA GLU A 86 -6.919 6.477 -2.145 1.00 55.32 C ATOM 1185 C GLU A 86 -8.054 7.310 -1.554 1.00 61.42 C ATOM 1186 O GLU A 86 -8.318 8.425 -2.003 1.00 11.11 O ATOM 1187 CB GLU A 86 -7.461 5.570 -3.251 1.00 62.21 C ATOM 1188 CG GLU A 86 -8.932 5.223 -3.090 1.00 34.12 C ATOM 1189 CD GLU A 86 -9.456 4.364 -4.223 1.00 73.53 C ATOM 1190 OE1 GLU A 86 -9.190 4.700 -5.395 1.00 5.44 O ATOM 1191 OE2 GLU A 86 -10.134 3.355 -3.938 1.00 61.42 O ATOM 0 H GLU A 86 -6.319 4.674 -1.257 1.00 11.10 H new ATOM 0 HA GLU A 86 -6.177 7.153 -2.570 1.00 55.32 H new ATOM 0 HB2 GLU A 86 -7.315 6.059 -4.214 1.00 62.21 H new ATOM 0 HB3 GLU A 86 -6.879 4.648 -3.271 1.00 62.21 H new ATOM 0 HG2 GLU A 86 -9.076 4.699 -2.145 1.00 34.12 H new ATOM 0 HG3 GLU A 86 -9.515 6.143 -3.037 1.00 34.12 H new ATOM 1196 N ALA A 87 -8.721 6.760 -0.546 1.00 74.45 N ATOM 1197 CA ALA A 87 -9.827 7.450 0.108 1.00 5.11 C ATOM 1198 C ALA A 87 -9.339 8.697 0.838 1.00 1.41 C ATOM 1199 O ALA A 87 -10.017 9.724 0.853 1.00 52.31 O ATOM 1200 CB ALA A 87 -10.537 6.514 1.074 1.00 55.43 C ATOM 0 H ALA A 87 -8.515 5.837 -0.163 1.00 74.45 H new ATOM 0 HA ALA A 87 -10.534 7.763 -0.661 1.00 5.11 H new ATOM 0 HB1 ALA A 87 -11.360 7.043 1.555 1.00 55.43 H new ATOM 0 HB2 ALA A 87 -10.927 5.655 0.528 1.00 55.43 H new ATOM 0 HB3 ALA A 87 -9.833 6.172 1.833 1.00 55.43 H new ATOM 1206 N ARG A 88 -8.160 8.600 1.443 1.00 0.35 N ATOM 1207 CA ARG A 88 -7.583 9.720 2.176 1.00 23.12 C ATOM 1208 C ARG A 88 -7.276 10.884 1.238 1.00 31.32 C ATOM 1209 O ARG A 88 -7.725 12.008 1.462 1.00 25.50 O ATOM 1210 CB ARG A 88 -6.306 9.282 2.897 1.00 62.24 C ATOM 1211 CG ARG A 88 -6.424 7.927 3.575 1.00 74.24 C ATOM 1212 CD ARG A 88 -5.973 7.990 5.026 1.00 73.34 C ATOM 1213 NE ARG A 88 -6.648 9.055 5.764 1.00 64.43 N ATOM 1214 CZ ARG A 88 -7.925 9.004 6.124 1.00 53.34 C ATOM 1215 NH1 ARG A 88 -8.663 7.946 5.818 1.00 60.34 N ATOM 1216 NH2 ARG A 88 -8.468 10.014 6.793 1.00 33.10 N ATOM 0 H ARG A 88 -7.586 7.757 1.440 1.00 0.35 H new ATOM 0 HA ARG A 88 -8.313 10.053 2.914 1.00 23.12 H new ATOM 0 HB2 ARG A 88 -5.486 9.250 2.179 1.00 62.24 H new ATOM 0 HB3 ARG A 88 -6.046 10.031 3.644 1.00 62.24 H new ATOM 0 HG2 ARG A 88 -7.458 7.584 3.529 1.00 74.24 H new ATOM 0 HG3 ARG A 88 -5.821 7.196 3.037 1.00 74.24 H new ATOM 0 HD2 ARG A 88 -6.171 7.033 5.509 1.00 73.34 H new ATOM 0 HD3 ARG A 88 -4.895 8.150 5.064 1.00 73.34 H new ATOM 0 HE ARG A 88 -6.109 9.883 6.017 1.00 64.43 H new ATOM 0 HH11 ARG A 88 -8.250 7.168 5.304 1.00 60.34 H new ATOM 0 HH12 ARG A 88 -9.644 7.910 6.096 1.00 60.34 H new ATOM 0 HH21 ARG A 88 -7.904 10.830 7.031 1.00 33.10 H new ATOM 0 HH22 ARG A 88 -9.449 9.974 7.069 1.00 33.10 H new ATOM 1227 N GLU A 89 -6.508 10.606 0.189 1.00 34.24 N ATOM 1228 CA GLU A 89 -6.140 11.631 -0.780 1.00 54.23 C ATOM 1229 C GLU A 89 -7.365 12.114 -1.551 1.00 2.13 C ATOM 1230 O GLU A 89 -7.447 13.279 -1.940 1.00 71.13 O ATOM 1231 CB GLU A 89 -5.091 11.090 -1.755 1.00 73.10 C ATOM 1232 CG GLU A 89 -3.777 10.720 -1.089 1.00 21.24 C ATOM 1233 CD GLU A 89 -2.643 11.649 -1.479 1.00 44.12 C ATOM 1234 OE1 GLU A 89 -2.300 11.695 -2.679 1.00 42.13 O ATOM 1235 OE2 GLU A 89 -2.100 12.330 -0.585 1.00 2.31 O ATOM 0 H GLU A 89 -6.129 9.680 -0.011 1.00 34.24 H new ATOM 0 HA GLU A 89 -5.718 12.475 -0.235 1.00 54.23 H new ATOM 0 HB2 GLU A 89 -5.494 10.211 -2.259 1.00 73.10 H new ATOM 0 HB3 GLU A 89 -4.901 11.839 -2.524 1.00 73.10 H new ATOM 0 HG2 GLU A 89 -3.904 10.742 -0.007 1.00 21.24 H new ATOM 0 HG3 GLU A 89 -3.513 9.697 -1.358 1.00 21.24 H new ATOM 1240 N ARG A 90 -8.314 11.210 -1.769 1.00 65.23 N ATOM 1241 CA ARG A 90 -9.534 11.542 -2.495 1.00 4.31 C ATOM 1242 C ARG A 90 -10.319 12.630 -1.768 1.00 43.54 C ATOM 1243 O ARG A 90 -11.117 13.343 -2.377 1.00 53.20 O ATOM 1244 CB ARG A 90 -10.407 10.297 -2.667 1.00 31.23 C ATOM 1245 CG ARG A 90 -11.792 10.595 -3.216 1.00 25.00 C ATOM 1246 CD ARG A 90 -12.644 9.338 -3.291 1.00 54.00 C ATOM 1247 NE ARG A 90 -14.067 9.633 -3.152 1.00 64.34 N ATOM 1248 CZ ARG A 90 -14.980 8.718 -2.842 1.00 14.20 C ATOM 1249 NH1 ARG A 90 -14.620 7.458 -2.639 1.00 13.55 N ATOM 1250 NH2 ARG A 90 -16.257 9.064 -2.735 1.00 13.13 N ATOM 0 H ARG A 90 -8.262 10.242 -1.453 1.00 65.23 H new ATOM 0 HA ARG A 90 -9.251 11.917 -3.479 1.00 4.31 H new ATOM 0 HB2 ARG A 90 -9.903 9.600 -3.336 1.00 31.23 H new ATOM 0 HB3 ARG A 90 -10.507 9.798 -1.703 1.00 31.23 H new ATOM 0 HG2 ARG A 90 -12.285 11.332 -2.582 1.00 25.00 H new ATOM 0 HG3 ARG A 90 -11.704 11.036 -4.209 1.00 25.00 H new ATOM 0 HD2 ARG A 90 -12.469 8.838 -4.243 1.00 54.00 H new ATOM 0 HD3 ARG A 90 -12.339 8.646 -2.506 1.00 54.00 H new ATOM 0 HE ARG A 90 -14.377 10.593 -3.301 1.00 64.34 H new ATOM 0 HH11 ARG A 90 -13.640 7.188 -2.721 1.00 13.55 H new ATOM 0 HH12 ARG A 90 -15.323 6.759 -2.401 1.00 13.55 H new ATOM 0 HH21 ARG A 90 -16.538 10.032 -2.891 1.00 13.13 H new ATOM 0 HH22 ARG A 90 -16.957 8.362 -2.497 1.00 13.13 H new ATOM 1261 N GLU A 91 -10.087 12.751 -0.465 1.00 63.32 N ATOM 1262 CA GLU A 91 -10.774 13.751 0.343 1.00 13.33 C ATOM 1263 C GLU A 91 -9.859 14.936 0.636 1.00 11.33 C ATOM 1264 O GLU A 91 -10.323 16.059 0.833 1.00 61.40 O ATOM 1265 CB GLU A 91 -11.261 13.132 1.655 1.00 42.34 C ATOM 1266 CG GLU A 91 -12.323 13.958 2.360 1.00 52.03 C ATOM 1267 CD GLU A 91 -13.330 13.102 3.104 1.00 71.00 C ATOM 1268 OE1 GLU A 91 -12.987 12.595 4.192 1.00 61.54 O ATOM 1269 OE2 GLU A 91 -14.459 12.940 2.598 1.00 54.23 O ATOM 0 H GLU A 91 -9.429 12.169 0.053 1.00 63.32 H new ATOM 0 HA GLU A 91 -11.634 14.109 -0.223 1.00 13.33 H new ATOM 0 HB2 GLU A 91 -11.661 12.139 1.452 1.00 42.34 H new ATOM 0 HB3 GLU A 91 -10.410 13.002 2.324 1.00 42.34 H new ATOM 0 HG2 GLU A 91 -11.842 14.639 3.062 1.00 52.03 H new ATOM 0 HG3 GLU A 91 -12.846 14.573 1.627 1.00 52.03 H new ATOM 1274 N ALA A 92 -8.556 14.678 0.663 1.00 43.00 N ATOM 1275 CA ALA A 92 -7.575 15.722 0.930 1.00 63.50 C ATOM 1276 C ALA A 92 -7.787 16.921 0.013 1.00 11.43 C ATOM 1277 O ALA A 92 -8.426 16.827 -1.035 1.00 11.14 O ATOM 1278 CB ALA A 92 -6.164 15.175 0.769 1.00 64.04 C ATOM 0 H ALA A 92 -8.155 13.754 0.503 1.00 43.00 H new ATOM 0 HA ALA A 92 -7.708 16.056 1.959 1.00 63.50 H new ATOM 0 HB1 ALA A 92 -5.442 15.966 0.971 1.00 64.04 H new ATOM 0 HB2 ALA A 92 -6.010 14.355 1.470 1.00 64.04 H new ATOM 0 HB3 ALA A 92 -6.028 14.812 -0.250 1.00 64.04 H new ATOM 1284 N PRO A 93 -7.239 18.078 0.414 1.00 45.10 N ATOM 1285 CA PRO A 93 -7.355 19.319 -0.358 1.00 61.21 C ATOM 1286 C PRO A 93 -6.550 19.274 -1.652 1.00 3.23 C ATOM 1287 O PRO A 93 -5.342 19.510 -1.653 1.00 1.25 O ATOM 1288 CB PRO A 93 -6.787 20.380 0.588 1.00 71.11 C ATOM 1289 CG PRO A 93 -5.862 19.632 1.484 1.00 11.02 C ATOM 1290 CD PRO A 93 -6.463 18.264 1.652 1.00 34.02 C ATOM 0 HA PRO A 93 -8.382 19.511 -0.669 1.00 61.21 H new ATOM 0 HB2 PRO A 93 -6.261 21.160 0.038 1.00 71.11 H new ATOM 0 HB3 PRO A 93 -7.579 20.869 1.156 1.00 71.11 H new ATOM 0 HG2 PRO A 93 -4.864 19.569 1.050 1.00 11.02 H new ATOM 0 HG3 PRO A 93 -5.760 20.134 2.446 1.00 11.02 H new ATOM 0 HD2 PRO A 93 -5.695 17.499 1.764 1.00 34.02 H new ATOM 0 HD3 PRO A 93 -7.098 18.210 2.536 1.00 34.02 H new ATOM 1295 N HIS A 94 -7.228 18.968 -2.755 1.00 13.33 N ATOM 1296 CA HIS A 94 -6.575 18.894 -4.057 1.00 60.31 C ATOM 1297 C HIS A 94 -7.600 18.975 -5.184 1.00 72.02 C ATOM 1298 O HIS A 94 -8.806 18.878 -4.949 1.00 62.42 O ATOM 1299 CB HIS A 94 -5.772 17.599 -4.175 1.00 64.40 C ATOM 1300 CG HIS A 94 -6.626 16.376 -4.322 1.00 22.43 C ATOM 1301 ND1 HIS A 94 -7.870 16.253 -3.743 1.00 70.40 N ATOM 1302 CD2 HIS A 94 -6.407 15.219 -4.991 1.00 12.12 C ATOM 1303 CE1 HIS A 94 -8.380 15.073 -4.046 1.00 43.04 C ATOM 1304 NE2 HIS A 94 -7.512 14.426 -4.803 1.00 63.15 N ATOM 0 H HIS A 94 -8.228 18.768 -2.772 1.00 13.33 H new ATOM 0 HA HIS A 94 -5.897 19.743 -4.145 1.00 60.31 H new ATOM 0 HB2 HIS A 94 -5.105 17.672 -5.034 1.00 64.40 H new ATOM 0 HB3 HIS A 94 -5.143 17.489 -3.291 1.00 64.40 H new ATOM 0 HD2 HIS A 94 -5.528 14.967 -5.565 1.00 12.12 H new ATOM 0 HE1 HIS A 94 -9.343 14.700 -3.729 1.00 43.04 H new ATOM 0 HE2 HIS A 94 -7.642 13.489 -5.186 1.00 63.15 H new ATOM 1311 N LEU A 95 -7.115 19.154 -6.407 1.00 4.41 N ATOM 1312 CA LEU A 95 -7.989 19.250 -7.572 1.00 31.42 C ATOM 1313 C LEU A 95 -8.902 18.032 -7.668 1.00 25.32 C ATOM 1314 O LEU A 95 -8.444 16.921 -7.936 1.00 5.44 O ATOM 1315 CB LEU A 95 -7.157 19.381 -8.848 1.00 41.34 C ATOM 1316 CG LEU A 95 -7.449 20.605 -9.717 1.00 54.21 C ATOM 1317 CD1 LEU A 95 -8.908 20.621 -10.145 1.00 74.22 C ATOM 1318 CD2 LEU A 95 -7.096 21.884 -8.970 1.00 50.45 C ATOM 0 H LEU A 95 -6.121 19.236 -6.619 1.00 4.41 H new ATOM 0 HA LEU A 95 -8.610 20.138 -7.459 1.00 31.42 H new ATOM 0 HB2 LEU A 95 -6.103 19.401 -8.570 1.00 41.34 H new ATOM 0 HB3 LEU A 95 -7.311 18.487 -9.452 1.00 41.34 H new ATOM 0 HG LEU A 95 -6.831 20.547 -10.613 1.00 54.21 H new ATOM 0 HD11 LEU A 95 -9.096 21.499 -10.762 1.00 74.22 H new ATOM 0 HD12 LEU A 95 -9.129 19.720 -10.718 1.00 74.22 H new ATOM 0 HD13 LEU A 95 -9.546 20.655 -9.262 1.00 74.22 H new ATOM 0 HD21 LEU A 95 -7.310 22.746 -9.603 1.00 50.45 H new ATOM 0 HD22 LEU A 95 -7.689 21.948 -8.057 1.00 50.45 H new ATOM 0 HD23 LEU A 95 -6.036 21.876 -8.715 1.00 50.45 H new ATOM 1329 N GLU A 96 -10.195 18.248 -7.449 1.00 43.12 N ATOM 1330 CA GLU A 96 -11.171 17.167 -7.512 1.00 45.31 C ATOM 1331 C GLU A 96 -12.469 17.643 -8.160 1.00 14.32 C ATOM 1332 O GLU A 96 -12.586 18.801 -8.565 1.00 33.45 O ATOM 1333 CB GLU A 96 -11.457 16.625 -6.111 1.00 63.24 C ATOM 1334 CG GLU A 96 -12.092 17.644 -5.180 1.00 4.24 C ATOM 1335 CD GLU A 96 -12.789 17.000 -3.998 1.00 12.34 C ATOM 1336 OE1 GLU A 96 -12.477 15.832 -3.689 1.00 32.11 O ATOM 1337 OE2 GLU A 96 -13.647 17.667 -3.382 1.00 42.51 O ATOM 0 H GLU A 96 -10.591 19.161 -7.226 1.00 43.12 H new ATOM 0 HA GLU A 96 -10.751 16.368 -8.123 1.00 45.31 H new ATOM 0 HB2 GLU A 96 -12.116 15.761 -6.193 1.00 63.24 H new ATOM 0 HB3 GLU A 96 -10.524 16.274 -5.669 1.00 63.24 H new ATOM 0 HG2 GLU A 96 -11.324 18.326 -4.816 1.00 4.24 H new ATOM 0 HG3 GLU A 96 -12.811 18.243 -5.739 1.00 4.24 H new ATOM 1342 N HIS A 97 -13.442 16.743 -8.255 1.00 33.34 N ATOM 1343 CA HIS A 97 -14.732 17.071 -8.852 1.00 21.34 C ATOM 1344 C HIS A 97 -15.674 17.674 -7.815 1.00 33.45 C ATOM 1345 O HIS A 97 -15.326 17.791 -6.639 1.00 34.02 O ATOM 1346 CB HIS A 97 -15.365 15.822 -9.467 1.00 22.44 C ATOM 1347 CG HIS A 97 -14.544 15.212 -10.560 1.00 42.04 C ATOM 1348 ND1 HIS A 97 -14.472 15.740 -11.832 1.00 32.02 N ATOM 1349 CD2 HIS A 97 -13.756 14.111 -10.568 1.00 33.21 C ATOM 1350 CE1 HIS A 97 -13.677 14.990 -12.574 1.00 1.21 C ATOM 1351 NE2 HIS A 97 -13.228 13.995 -11.830 1.00 52.35 N ATOM 0 H HIS A 97 -13.362 15.781 -7.926 1.00 33.34 H new ATOM 0 HA HIS A 97 -14.564 17.809 -9.636 1.00 21.34 H new ATOM 0 HB2 HIS A 97 -15.521 15.080 -8.684 1.00 22.44 H new ATOM 0 HB3 HIS A 97 -16.348 16.080 -9.862 1.00 22.44 H new ATOM 0 HD2 HIS A 97 -13.576 13.447 -9.736 1.00 33.21 H new ATOM 0 HE1 HIS A 97 -13.435 15.161 -13.613 1.00 1.21 H new ATOM 0 HE2 HIS A 97 -12.593 13.261 -12.142 1.00 52.35 H new ATOM 1358 N HIS A 98 -16.867 18.057 -8.257 1.00 11.15 N ATOM 1359 CA HIS A 98 -17.858 18.649 -7.367 1.00 53.32 C ATOM 1360 C HIS A 98 -19.146 17.830 -7.366 1.00 13.23 C ATOM 1361 O HIS A 98 -19.243 16.807 -8.043 1.00 44.04 O ATOM 1362 CB HIS A 98 -18.157 20.089 -7.787 1.00 71.33 C ATOM 1363 CG HIS A 98 -17.800 21.103 -6.744 1.00 73.23 C ATOM 1364 ND1 HIS A 98 -16.620 21.816 -6.760 1.00 50.20 N ATOM 1365 CD2 HIS A 98 -18.477 21.524 -5.650 1.00 61.33 C ATOM 1366 CE1 HIS A 98 -16.586 22.630 -5.720 1.00 32.13 C ATOM 1367 NE2 HIS A 98 -17.702 22.473 -5.030 1.00 24.24 N ATOM 0 H HIS A 98 -17.171 17.968 -9.227 1.00 11.15 H new ATOM 0 HA HIS A 98 -17.448 18.650 -6.357 1.00 53.32 H new ATOM 0 HB2 HIS A 98 -17.609 20.313 -8.702 1.00 71.33 H new ATOM 0 HB3 HIS A 98 -19.218 20.178 -8.020 1.00 71.33 H new ATOM 0 HD2 HIS A 98 -19.447 21.178 -5.325 1.00 61.33 H new ATOM 0 HE1 HIS A 98 -15.782 23.309 -5.475 1.00 32.13 H new ATOM 0 HE2 HIS A 98 -17.948 22.975 -4.177 1.00 24.24 H new ATOM 1374 N HIS A 99 -20.131 18.286 -6.598 1.00 63.52 N ATOM 1375 CA HIS A 99 -21.413 17.595 -6.510 1.00 33.34 C ATOM 1376 C HIS A 99 -22.519 18.414 -7.167 1.00 4.10 C ATOM 1377 O HIS A 99 -22.656 19.610 -6.911 1.00 5.35 O ATOM 1378 CB HIS A 99 -21.766 17.320 -5.047 1.00 40.22 C ATOM 1379 CG HIS A 99 -22.672 16.141 -4.862 1.00 22.31 C ATOM 1380 ND1 HIS A 99 -22.290 14.997 -4.192 1.00 30.01 N ATOM 1381 CD2 HIS A 99 -23.947 15.932 -5.262 1.00 53.20 C ATOM 1382 CE1 HIS A 99 -23.291 14.137 -4.189 1.00 61.42 C ATOM 1383 NE2 HIS A 99 -24.310 14.680 -4.832 1.00 72.41 N ATOM 0 H HIS A 99 -20.066 19.130 -6.028 1.00 63.52 H new ATOM 0 HA HIS A 99 -21.325 16.647 -7.041 1.00 33.34 H new ATOM 0 HB2 HIS A 99 -20.847 17.154 -4.485 1.00 40.22 H new ATOM 0 HB3 HIS A 99 -22.243 18.204 -4.624 1.00 40.22 H new ATOM 0 HD2 HIS A 99 -24.565 16.622 -5.817 1.00 53.20 H new ATOM 0 HE1 HIS A 99 -23.279 13.156 -3.738 1.00 61.42 H new ATOM 0 HE2 HIS A 99 -25.218 14.241 -4.984 1.00 72.41 H new ATOM 1390 N HIS A 100 -23.305 17.762 -8.018 1.00 75.44 N ATOM 1391 CA HIS A 100 -24.399 18.430 -8.713 1.00 61.14 C ATOM 1392 C HIS A 100 -25.684 17.611 -8.618 1.00 30.44 C ATOM 1393 O HIS A 100 -25.652 16.381 -8.640 1.00 23.33 O ATOM 1394 CB HIS A 100 -24.035 18.658 -10.180 1.00 11.12 C ATOM 1395 CG HIS A 100 -23.743 20.091 -10.509 1.00 71.11 C ATOM 1396 ND1 HIS A 100 -24.656 20.923 -11.122 1.00 25.24 N ATOM 1397 CD2 HIS A 100 -22.634 20.838 -10.303 1.00 23.20 C ATOM 1398 CE1 HIS A 100 -24.119 22.119 -11.282 1.00 11.43 C ATOM 1399 NE2 HIS A 100 -22.893 22.095 -10.793 1.00 22.54 N ATOM 0 H HIS A 100 -23.205 16.772 -8.243 1.00 75.44 H new ATOM 0 HA HIS A 100 -24.566 19.394 -8.233 1.00 61.14 H new ATOM 0 HB2 HIS A 100 -23.164 18.052 -10.428 1.00 11.12 H new ATOM 0 HB3 HIS A 100 -24.855 18.309 -10.808 1.00 11.12 H new ATOM 0 HD2 HIS A 100 -21.716 20.508 -9.840 1.00 23.20 H new ATOM 0 HE1 HIS A 100 -24.601 22.972 -11.736 1.00 11.43 H new ATOM 0 HE2 HIS A 100 -22.244 22.882 -10.781 1.00 22.54 H new ATOM 1406 N HIS A 101 -26.813 18.304 -8.511 1.00 72.35 N ATOM 1407 CA HIS A 101 -28.110 17.641 -8.411 1.00 24.22 C ATOM 1408 C HIS A 101 -28.188 16.789 -7.148 1.00 51.23 C ATOM 1409 O HIS A 101 -27.647 15.684 -7.096 1.00 0.32 O ATOM 1410 CB HIS A 101 -28.355 16.769 -9.643 1.00 53.43 C ATOM 1411 CG HIS A 101 -29.768 16.285 -9.761 1.00 42.33 C ATOM 1412 ND1 HIS A 101 -30.566 16.551 -10.855 1.00 24.44 N ATOM 1413 CD2 HIS A 101 -30.525 15.547 -8.916 1.00 42.41 C ATOM 1414 CE1 HIS A 101 -31.752 15.998 -10.676 1.00 40.43 C ATOM 1415 NE2 HIS A 101 -31.754 15.383 -9.507 1.00 63.22 N ATOM 0 H HIS A 101 -26.857 19.323 -8.491 1.00 72.35 H new ATOM 0 HA HIS A 101 -28.881 18.410 -8.358 1.00 24.22 H new ATOM 0 HB2 HIS A 101 -28.098 17.337 -10.537 1.00 53.43 H new ATOM 0 HB3 HIS A 101 -27.686 15.909 -9.608 1.00 53.43 H new ATOM 0 HD2 HIS A 101 -30.219 15.159 -7.955 1.00 42.41 H new ATOM 0 HE1 HIS A 101 -32.580 16.041 -11.368 1.00 40.43 H new ATOM 0 HE2 HIS A 101 -32.540 14.870 -9.108 1.00 63.22 H new ATOM 1422 N HIS A 102 -28.866 17.311 -6.130 1.00 32.30 N ATOM 1423 CA HIS A 102 -29.016 16.599 -4.866 1.00 72.45 C ATOM 1424 C HIS A 102 -30.386 15.935 -4.776 1.00 54.24 C ATOM 1425 O HIS A 102 -31.040 15.696 -5.792 1.00 22.33 O ATOM 1426 CB HIS A 102 -28.821 17.556 -3.690 1.00 44.15 C ATOM 1427 CG HIS A 102 -28.544 16.862 -2.392 1.00 0.44 C ATOM 1428 ND1 HIS A 102 -28.582 17.504 -1.172 1.00 2.24 N ATOM 1429 CD2 HIS A 102 -28.225 15.574 -2.128 1.00 75.32 C ATOM 1430 CE1 HIS A 102 -28.297 16.641 -0.214 1.00 21.25 C ATOM 1431 NE2 HIS A 102 -28.076 15.462 -0.767 1.00 40.22 N ATOM 0 H HIS A 102 -29.320 18.224 -6.156 1.00 32.30 H new ATOM 0 HA HIS A 102 -28.252 15.823 -4.822 1.00 72.45 H new ATOM 0 HB2 HIS A 102 -27.995 18.231 -3.915 1.00 44.15 H new ATOM 0 HB3 HIS A 102 -29.715 18.171 -3.580 1.00 44.15 H new ATOM 0 HD2 HIS A 102 -28.109 14.781 -2.852 1.00 75.32 H new ATOM 0 HE1 HIS A 102 -28.252 16.862 0.842 1.00 21.25 H new ATOM 0 HE2 HIS A 102 -27.834 14.608 -0.265 1.00 40.22 H new TER 1438 HIS A 102