USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 615 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 29 LYS NZ :NH3+ -177:sc= 1.06 (180deg=0.653) USER MOD Set 1.2: A 64 TYR OH : rot 1:sc= 1.61 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 147:sc= 1.02 (180deg=0.711) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -159:sc= 0.944 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 39:sc= 0.311 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= -1.35 K(o=-1.3,f=-3.5!) USER MOD Single : A 54 GLN : amide:sc= -0.289 X(o=-0.29,f=-0.012) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 90:sc= -3.69 USER MOD Single : A 70 GLN : amide:sc=-0.00396 X(o=-0.004,f=-0.33) USER MOD Single : A 72 SER OG : rot -122:sc= 0.223 USER MOD Single : A 78 SER OG : rot 40:sc= 0.623 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.331 7.451 9.555 1.00 0.00 N ATOM 2 CA MET A 1 -5.564 6.953 8.382 1.00 52.33 C ATOM 3 C MET A 1 -4.633 5.796 8.807 1.00 65.51 C ATOM 4 O MET A 1 -3.954 5.885 9.835 1.00 62.13 O ATOM 5 CB MET A 1 -4.766 8.110 7.712 1.00 4.23 C ATOM 6 CG MET A 1 -5.650 9.168 7.024 1.00 22.23 C ATOM 7 SD MET A 1 -6.820 9.954 8.162 1.00 32.23 S ATOM 8 CE MET A 1 -7.881 10.866 7.036 1.00 22.35 C ATOM 0 H1 MET A 1 -6.494 8.473 9.455 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.245 6.958 9.607 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.791 7.270 10.425 1.00 0.00 H new ATOM 0 HA MET A 1 -6.265 6.568 7.641 1.00 52.33 H new ATOM 0 HB2 MET A 1 -4.154 8.600 8.469 1.00 4.23 H new ATOM 0 HB3 MET A 1 -4.084 7.687 6.975 1.00 4.23 H new ATOM 0 HG2 MET A 1 -5.013 9.933 6.579 1.00 22.23 H new ATOM 0 HG3 MET A 1 -6.202 8.699 6.209 1.00 22.23 H new ATOM 0 HE1 MET A 1 -8.645 11.396 7.605 1.00 22.35 H new ATOM 0 HE2 MET A 1 -7.284 11.584 6.475 1.00 22.35 H new ATOM 0 HE3 MET A 1 -8.359 10.172 6.344 1.00 22.35 H new ATOM 18 N THR A 2 -4.618 4.717 8.003 1.00 63.40 N ATOM 19 CA THR A 2 -3.826 3.493 8.287 1.00 73.35 C ATOM 20 C THR A 2 -2.343 3.709 7.872 1.00 31.13 C ATOM 21 O THR A 2 -1.936 3.378 6.765 1.00 61.43 O ATOM 22 CB THR A 2 -4.453 2.250 7.545 1.00 74.34 C ATOM 23 OG1 THR A 2 -5.864 2.185 7.811 1.00 42.33 O ATOM 24 CG2 THR A 2 -3.818 0.906 7.962 1.00 75.40 C ATOM 0 H THR A 2 -5.153 4.663 7.136 1.00 63.40 H new ATOM 0 HA THR A 2 -3.853 3.291 9.358 1.00 73.35 H new ATOM 0 HB THR A 2 -4.255 2.397 6.483 1.00 74.34 H new ATOM 0 HG1 THR A 2 -6.249 1.413 7.347 1.00 42.33 H new ATOM 0 HG21 THR A 2 -4.295 0.093 7.415 1.00 75.40 H new ATOM 0 HG22 THR A 2 -2.752 0.921 7.734 1.00 75.40 H new ATOM 0 HG23 THR A 2 -3.958 0.754 9.032 1.00 75.40 H new ATOM 32 N ARG A 3 -1.558 4.325 8.774 1.00 73.12 N ATOM 33 CA ARG A 3 -0.167 4.768 8.487 1.00 3.33 C ATOM 34 C ARG A 3 0.864 3.623 8.661 1.00 21.10 C ATOM 35 O ARG A 3 0.762 2.822 9.594 1.00 62.14 O ATOM 36 CB ARG A 3 0.191 5.949 9.422 1.00 2.43 C ATOM 37 CG ARG A 3 -0.764 7.159 9.306 1.00 14.11 C ATOM 38 CD ARG A 3 -0.387 8.302 10.262 1.00 74.04 C ATOM 39 NE ARG A 3 -0.512 7.894 11.673 1.00 64.14 N ATOM 40 CZ ARG A 3 0.298 8.225 12.653 1.00 11.12 C ATOM 41 NH1 ARG A 3 1.349 8.953 12.447 1.00 71.14 N ATOM 42 NH2 ARG A 3 0.048 7.804 13.845 1.00 15.14 N ATOM 0 H ARG A 3 -1.863 4.533 9.725 1.00 73.12 H new ATOM 0 HA ARG A 3 -0.122 5.082 7.444 1.00 3.33 H new ATOM 0 HB2 ARG A 3 0.188 5.596 10.453 1.00 2.43 H new ATOM 0 HB3 ARG A 3 1.206 6.279 9.201 1.00 2.43 H new ATOM 0 HG2 ARG A 3 -0.753 7.529 8.281 1.00 14.11 H new ATOM 0 HG3 ARG A 3 -1.783 6.835 9.517 1.00 14.11 H new ATOM 0 HD2 ARG A 3 0.637 8.620 10.064 1.00 74.04 H new ATOM 0 HD3 ARG A 3 -1.030 9.162 10.073 1.00 74.04 H new ATOM 0 HE ARG A 3 -1.304 7.297 11.912 1.00 64.14 H new ATOM 0 HH11 ARG A 3 1.564 9.284 11.506 1.00 71.14 H new ATOM 0 HH12 ARG A 3 1.962 9.196 13.225 1.00 71.14 H new ATOM 0 HH21 ARG A 3 -0.771 7.221 14.019 1.00 15.14 H new ATOM 0 HH22 ARG A 3 0.669 8.054 14.615 1.00 15.14 H new ATOM 56 N VAL A 4 1.862 3.566 7.751 1.00 23.11 N ATOM 57 CA VAL A 4 2.961 2.561 7.780 1.00 41.21 C ATOM 58 C VAL A 4 4.328 3.260 7.519 1.00 71.14 C ATOM 59 O VAL A 4 4.408 4.206 6.735 1.00 23.31 O ATOM 60 CB VAL A 4 2.746 1.424 6.695 1.00 4.31 C ATOM 61 CG1 VAL A 4 3.893 0.370 6.716 1.00 30.41 C ATOM 62 CG2 VAL A 4 1.366 0.726 6.854 1.00 31.13 C ATOM 0 H VAL A 4 1.933 4.217 6.969 1.00 23.11 H new ATOM 0 HA VAL A 4 2.956 2.100 8.768 1.00 41.21 H new ATOM 0 HB VAL A 4 2.765 1.920 5.725 1.00 4.31 H new ATOM 0 HG11 VAL A 4 3.704 -0.389 5.957 1.00 30.41 H new ATOM 0 HG12 VAL A 4 4.843 0.862 6.508 1.00 30.41 H new ATOM 0 HG13 VAL A 4 3.936 -0.102 7.698 1.00 30.41 H new ATOM 0 HG21 VAL A 4 1.259 -0.046 6.092 1.00 31.13 H new ATOM 0 HG22 VAL A 4 1.300 0.272 7.843 1.00 31.13 H new ATOM 0 HG23 VAL A 4 0.570 1.462 6.739 1.00 31.13 H new ATOM 72 N ARG A 5 5.400 2.787 8.188 1.00 21.12 N ATOM 73 CA ARG A 5 6.787 3.255 7.946 1.00 1.41 C ATOM 74 C ARG A 5 7.750 2.055 7.764 1.00 4.41 C ATOM 75 O ARG A 5 7.576 1.004 8.390 1.00 65.22 O ATOM 76 CB ARG A 5 7.275 4.190 9.102 1.00 45.25 C ATOM 77 CG ARG A 5 8.780 4.576 9.030 1.00 53.32 C ATOM 78 CD ARG A 5 9.217 5.608 10.087 1.00 64.43 C ATOM 79 NE ARG A 5 8.758 6.969 9.755 1.00 44.21 N ATOM 80 CZ ARG A 5 9.334 8.082 10.153 1.00 61.43 C ATOM 81 NH1 ARG A 5 10.384 8.059 10.912 1.00 64.44 N ATOM 82 NH2 ARG A 5 8.858 9.220 9.779 1.00 11.24 N ATOM 0 H ARG A 5 5.332 2.071 8.911 1.00 21.12 H new ATOM 0 HA ARG A 5 6.789 3.835 7.023 1.00 1.41 H new ATOM 0 HB2 ARG A 5 6.678 5.102 9.090 1.00 45.25 H new ATOM 0 HB3 ARG A 5 7.085 3.697 10.055 1.00 45.25 H new ATOM 0 HG2 ARG A 5 9.381 3.674 9.148 1.00 53.32 H new ATOM 0 HG3 ARG A 5 8.995 4.975 8.038 1.00 53.32 H new ATOM 0 HD2 ARG A 5 8.821 5.319 11.061 1.00 64.43 H new ATOM 0 HD3 ARG A 5 10.304 5.603 10.171 1.00 64.43 H new ATOM 0 HE ARG A 5 7.927 7.054 9.170 1.00 44.21 H new ATOM 0 HH11 ARG A 5 10.778 7.167 11.211 1.00 64.44 H new ATOM 0 HH12 ARG A 5 10.817 8.933 11.210 1.00 64.44 H new ATOM 0 HH21 ARG A 5 8.036 9.256 9.176 1.00 11.24 H new ATOM 0 HH22 ARG A 5 9.303 10.085 10.086 1.00 11.24 H new ATOM 96 N SER A 6 8.759 2.232 6.885 1.00 64.15 N ATOM 97 CA SER A 6 9.863 1.259 6.684 1.00 73.10 C ATOM 98 C SER A 6 11.174 2.000 6.330 1.00 21.44 C ATOM 99 O SER A 6 11.160 3.207 6.085 1.00 21.22 O ATOM 100 CB SER A 6 9.510 0.237 5.582 1.00 32.24 C ATOM 101 OG SER A 6 10.535 -0.742 5.444 1.00 33.44 O ATOM 0 H SER A 6 8.834 3.057 6.290 1.00 64.15 H new ATOM 0 HA SER A 6 10.007 0.714 7.617 1.00 73.10 H new ATOM 0 HB2 SER A 6 8.566 -0.252 5.824 1.00 32.24 H new ATOM 0 HB3 SER A 6 9.367 0.755 4.634 1.00 32.24 H new ATOM 0 HG SER A 6 10.471 -1.161 4.560 1.00 33.44 H new ATOM 107 N THR A 7 12.298 1.257 6.290 1.00 42.24 N ATOM 108 CA THR A 7 13.644 1.827 6.014 1.00 4.43 C ATOM 109 C THR A 7 13.865 2.162 4.512 1.00 22.12 C ATOM 110 O THR A 7 13.338 1.466 3.631 1.00 31.35 O ATOM 111 CB THR A 7 14.783 0.867 6.506 1.00 71.42 C ATOM 112 OG1 THR A 7 14.557 -0.472 6.029 1.00 2.34 O ATOM 113 CG2 THR A 7 14.918 0.885 8.033 1.00 41.13 C ATOM 0 H THR A 7 12.305 0.249 6.446 1.00 42.24 H new ATOM 0 HA THR A 7 13.688 2.761 6.574 1.00 4.43 H new ATOM 0 HB THR A 7 15.723 1.230 6.091 1.00 71.42 H new ATOM 0 HG1 THR A 7 15.277 -1.057 6.343 1.00 2.34 H new ATOM 0 HG21 THR A 7 15.717 0.208 8.336 1.00 41.13 H new ATOM 0 HG22 THR A 7 15.154 1.896 8.366 1.00 41.13 H new ATOM 0 HG23 THR A 7 13.980 0.564 8.485 1.00 41.13 H new ATOM 121 N PRO A 8 14.693 3.220 4.203 1.00 43.04 N ATOM 122 CA PRO A 8 14.892 3.723 2.826 1.00 34.51 C ATOM 123 C PRO A 8 15.802 2.795 1.967 1.00 34.54 C ATOM 124 O PRO A 8 17.011 2.658 2.208 1.00 70.03 O ATOM 125 CB PRO A 8 15.507 5.121 3.079 1.00 73.40 C ATOM 126 CG PRO A 8 16.323 4.945 4.313 1.00 14.35 C ATOM 127 CD PRO A 8 15.528 3.989 5.176 1.00 72.50 C ATOM 0 HA PRO A 8 13.975 3.758 2.238 1.00 34.51 H new ATOM 0 HB2 PRO A 8 16.121 5.444 2.238 1.00 73.40 H new ATOM 0 HB3 PRO A 8 14.734 5.877 3.217 1.00 73.40 H new ATOM 0 HG2 PRO A 8 17.308 4.540 4.080 1.00 14.35 H new ATOM 0 HG3 PRO A 8 16.481 5.897 4.821 1.00 14.35 H new ATOM 0 HD2 PRO A 8 16.182 3.330 5.746 1.00 72.50 H new ATOM 0 HD3 PRO A 8 14.909 4.524 5.896 1.00 72.50 H new ATOM 135 N GLY A 9 15.181 2.144 0.972 1.00 73.14 N ATOM 136 CA GLY A 9 15.853 1.160 0.106 1.00 64.24 C ATOM 137 C GLY A 9 15.464 -0.282 0.428 1.00 15.33 C ATOM 138 O GLY A 9 15.836 -1.210 -0.306 1.00 43.44 O ATOM 0 H GLY A 9 14.197 2.284 0.744 1.00 73.14 H new ATOM 0 HA2 GLY A 9 15.608 1.373 -0.935 1.00 64.24 H new ATOM 0 HA3 GLY A 9 16.932 1.271 0.209 1.00 64.24 H new ATOM 142 N GLY A 10 14.711 -0.468 1.533 1.00 11.35 N ATOM 143 CA GLY A 10 14.280 -1.797 1.987 1.00 64.20 C ATOM 144 C GLY A 10 12.955 -2.241 1.373 1.00 10.01 C ATOM 145 O GLY A 10 12.573 -1.773 0.298 1.00 13.32 O ATOM 0 H GLY A 10 14.390 0.296 2.128 1.00 11.35 H new ATOM 0 HA2 GLY A 10 15.051 -2.526 1.739 1.00 64.20 H new ATOM 0 HA3 GLY A 10 14.186 -1.790 3.073 1.00 64.20 H new ATOM 149 N ASP A 11 12.256 -3.160 2.048 1.00 32.41 N ATOM 150 CA ASP A 11 10.919 -3.622 1.623 1.00 23.42 C ATOM 151 C ASP A 11 9.831 -2.602 2.049 1.00 61.44 C ATOM 152 O ASP A 11 10.083 -1.720 2.873 1.00 1.54 O ATOM 153 CB ASP A 11 10.626 -5.013 2.244 1.00 52.44 C ATOM 154 CG ASP A 11 10.424 -4.960 3.772 1.00 34.34 C ATOM 155 OD1 ASP A 11 11.420 -4.754 4.506 1.00 52.22 O ATOM 156 OD2 ASP A 11 9.270 -5.088 4.238 1.00 12.12 O ATOM 0 H ASP A 11 12.594 -3.606 2.901 1.00 32.41 H new ATOM 0 HA ASP A 11 10.902 -3.705 0.536 1.00 23.42 H new ATOM 0 HB2 ASP A 11 9.733 -5.432 1.779 1.00 52.44 H new ATOM 0 HB3 ASP A 11 11.451 -5.688 2.015 1.00 52.44 H new ATOM 161 N LEU A 12 8.633 -2.712 1.469 1.00 2.04 N ATOM 162 CA LEU A 12 7.441 -1.994 1.960 1.00 41.52 C ATOM 163 C LEU A 12 6.241 -2.945 1.983 1.00 62.23 C ATOM 164 O LEU A 12 5.759 -3.330 0.933 1.00 24.32 O ATOM 165 CB LEU A 12 7.133 -0.759 1.078 1.00 2.10 C ATOM 166 CG LEU A 12 5.941 0.126 1.544 1.00 61.12 C ATOM 167 CD1 LEU A 12 6.171 0.652 2.983 1.00 0.33 C ATOM 168 CD2 LEU A 12 5.688 1.277 0.539 1.00 35.33 C ATOM 0 H LEU A 12 8.456 -3.296 0.651 1.00 2.04 H new ATOM 0 HA LEU A 12 7.640 -1.640 2.972 1.00 41.52 H new ATOM 0 HB2 LEU A 12 8.027 -0.137 1.032 1.00 2.10 H new ATOM 0 HB3 LEU A 12 6.931 -1.102 0.063 1.00 2.10 H new ATOM 0 HG LEU A 12 5.042 -0.489 1.567 1.00 61.12 H new ATOM 0 HD11 LEU A 12 5.324 1.268 3.285 1.00 0.33 H new ATOM 0 HD12 LEU A 12 6.269 -0.191 3.667 1.00 0.33 H new ATOM 0 HD13 LEU A 12 7.082 1.250 3.011 1.00 0.33 H new ATOM 0 HD21 LEU A 12 4.851 1.884 0.884 1.00 35.33 H new ATOM 0 HD22 LEU A 12 6.580 1.899 0.466 1.00 35.33 H new ATOM 0 HD23 LEU A 12 5.455 0.860 -0.441 1.00 35.33 H new ATOM 180 N GLU A 13 5.757 -3.313 3.175 1.00 22.12 N ATOM 181 CA GLU A 13 4.597 -4.211 3.317 1.00 43.03 C ATOM 182 C GLU A 13 3.499 -3.527 4.147 1.00 35.23 C ATOM 183 O GLU A 13 3.674 -3.291 5.343 1.00 22.50 O ATOM 184 CB GLU A 13 5.001 -5.565 3.962 1.00 71.10 C ATOM 185 CG GLU A 13 3.847 -6.581 4.020 1.00 5.32 C ATOM 186 CD GLU A 13 4.264 -7.961 4.540 1.00 51.53 C ATOM 187 OE1 GLU A 13 4.785 -8.770 3.745 1.00 64.21 O ATOM 188 OE2 GLU A 13 4.078 -8.246 5.742 1.00 61.11 O ATOM 0 H GLU A 13 6.152 -3.002 4.063 1.00 22.12 H new ATOM 0 HA GLU A 13 4.211 -4.423 2.320 1.00 43.03 H new ATOM 0 HB2 GLU A 13 5.827 -5.996 3.397 1.00 71.10 H new ATOM 0 HB3 GLU A 13 5.367 -5.383 4.973 1.00 71.10 H new ATOM 0 HG2 GLU A 13 3.058 -6.185 4.660 1.00 5.32 H new ATOM 0 HG3 GLU A 13 3.422 -6.692 3.022 1.00 5.32 H new ATOM 195 N LEU A 14 2.383 -3.181 3.489 1.00 25.43 N ATOM 196 CA LEU A 14 1.203 -2.611 4.154 1.00 1.12 C ATOM 197 C LEU A 14 0.279 -3.763 4.592 1.00 34.21 C ATOM 198 O LEU A 14 -0.395 -4.376 3.757 1.00 51.21 O ATOM 199 CB LEU A 14 0.452 -1.641 3.191 1.00 14.45 C ATOM 200 CG LEU A 14 1.334 -0.617 2.397 1.00 42.51 C ATOM 201 CD1 LEU A 14 0.460 0.389 1.632 1.00 74.22 C ATOM 202 CD2 LEU A 14 2.349 0.111 3.296 1.00 33.53 C ATOM 0 H LEU A 14 2.273 -3.289 2.481 1.00 25.43 H new ATOM 0 HA LEU A 14 1.513 -2.039 5.029 1.00 1.12 H new ATOM 0 HB2 LEU A 14 -0.106 -2.240 2.471 1.00 14.45 H new ATOM 0 HB3 LEU A 14 -0.279 -1.081 3.774 1.00 14.45 H new ATOM 0 HG LEU A 14 1.909 -1.195 1.674 1.00 42.51 H new ATOM 0 HD11 LEU A 14 1.098 1.087 1.090 1.00 74.22 H new ATOM 0 HD12 LEU A 14 -0.176 -0.145 0.925 1.00 74.22 H new ATOM 0 HD13 LEU A 14 -0.163 0.939 2.337 1.00 74.22 H new ATOM 0 HD21 LEU A 14 2.933 0.808 2.695 1.00 33.53 H new ATOM 0 HD22 LEU A 14 1.818 0.660 4.074 1.00 33.53 H new ATOM 0 HD23 LEU A 14 3.016 -0.618 3.757 1.00 33.53 H new ATOM 214 N VAL A 15 0.273 -4.062 5.901 1.00 14.12 N ATOM 215 CA VAL A 15 -0.570 -5.130 6.474 1.00 34.23 C ATOM 216 C VAL A 15 -1.936 -4.524 6.850 1.00 42.30 C ATOM 217 O VAL A 15 -2.040 -3.732 7.794 1.00 2.25 O ATOM 218 CB VAL A 15 0.106 -5.797 7.733 1.00 10.23 C ATOM 219 CG1 VAL A 15 -0.756 -6.965 8.291 1.00 13.40 C ATOM 220 CG2 VAL A 15 1.549 -6.269 7.398 1.00 32.42 C ATOM 0 H VAL A 15 0.847 -3.576 6.590 1.00 14.12 H new ATOM 0 HA VAL A 15 -0.699 -5.917 5.731 1.00 34.23 H new ATOM 0 HB VAL A 15 0.172 -5.042 8.516 1.00 10.23 H new ATOM 0 HG11 VAL A 15 -0.260 -7.401 9.158 1.00 13.40 H new ATOM 0 HG12 VAL A 15 -1.735 -6.586 8.585 1.00 13.40 H new ATOM 0 HG13 VAL A 15 -0.878 -7.727 7.521 1.00 13.40 H new ATOM 0 HG21 VAL A 15 1.996 -6.726 8.281 1.00 32.42 H new ATOM 0 HG22 VAL A 15 1.514 -6.999 6.589 1.00 32.42 H new ATOM 0 HG23 VAL A 15 2.149 -5.413 7.089 1.00 32.42 H new ATOM 230 N VAL A 16 -2.967 -4.868 6.064 1.00 4.52 N ATOM 231 CA VAL A 16 -4.305 -4.234 6.149 1.00 33.30 C ATOM 232 C VAL A 16 -5.369 -5.246 6.595 1.00 41.44 C ATOM 233 O VAL A 16 -5.472 -6.343 6.031 1.00 22.15 O ATOM 234 CB VAL A 16 -4.729 -3.639 4.760 1.00 23.52 C ATOM 235 CG1 VAL A 16 -5.988 -2.759 4.859 1.00 3.51 C ATOM 236 CG2 VAL A 16 -3.555 -2.887 4.108 1.00 11.53 C ATOM 0 H VAL A 16 -2.904 -5.593 5.349 1.00 4.52 H new ATOM 0 HA VAL A 16 -4.236 -3.434 6.886 1.00 33.30 H new ATOM 0 HB VAL A 16 -4.993 -4.476 4.114 1.00 23.52 H new ATOM 0 HG11 VAL A 16 -6.240 -2.372 3.872 1.00 3.51 H new ATOM 0 HG12 VAL A 16 -6.819 -3.354 5.238 1.00 3.51 H new ATOM 0 HG13 VAL A 16 -5.798 -1.927 5.538 1.00 3.51 H new ATOM 0 HG21 VAL A 16 -3.871 -2.483 3.146 1.00 11.53 H new ATOM 0 HG22 VAL A 16 -3.239 -2.071 4.758 1.00 11.53 H new ATOM 0 HG23 VAL A 16 -2.722 -3.574 3.957 1.00 11.53 H new ATOM 246 N HIS A 17 -6.157 -4.861 7.611 1.00 71.21 N ATOM 247 CA HIS A 17 -7.297 -5.656 8.111 1.00 64.33 C ATOM 248 C HIS A 17 -8.480 -4.736 8.470 1.00 64.25 C ATOM 249 O HIS A 17 -9.132 -4.914 9.508 1.00 22.54 O ATOM 250 CB HIS A 17 -6.854 -6.536 9.311 1.00 53.50 C ATOM 251 CG HIS A 17 -5.972 -7.691 8.905 1.00 70.12 C ATOM 252 ND1 HIS A 17 -4.597 -7.606 8.828 1.00 63.45 N ATOM 253 CD2 HIS A 17 -6.284 -8.934 8.480 1.00 12.30 C ATOM 254 CE1 HIS A 17 -4.112 -8.739 8.370 1.00 55.51 C ATOM 255 NE2 HIS A 17 -5.111 -9.563 8.153 1.00 12.43 N ATOM 0 H HIS A 17 -6.023 -3.984 8.114 1.00 71.21 H new ATOM 0 HA HIS A 17 -7.639 -6.327 7.323 1.00 64.33 H new ATOM 0 HB2 HIS A 17 -6.321 -5.916 10.031 1.00 53.50 H new ATOM 0 HB3 HIS A 17 -7.739 -6.923 9.816 1.00 53.50 H new ATOM 0 HD2 HIS A 17 -7.276 -9.355 8.410 1.00 12.30 H new ATOM 0 HE1 HIS A 17 -3.068 -8.956 8.201 1.00 55.51 H new ATOM 0 HE2 HIS A 17 -5.028 -10.516 7.799 1.00 12.43 H new ATOM 264 N LEU A 18 -8.753 -3.752 7.577 1.00 31.41 N ATOM 265 CA LEU A 18 -9.968 -2.900 7.643 1.00 12.45 C ATOM 266 C LEU A 18 -11.282 -3.729 7.577 1.00 21.15 C ATOM 267 O LEU A 18 -11.261 -4.925 7.252 1.00 34.02 O ATOM 268 CB LEU A 18 -9.916 -1.777 6.541 1.00 4.23 C ATOM 269 CG LEU A 18 -9.533 -2.187 5.066 1.00 52.14 C ATOM 270 CD1 LEU A 18 -10.585 -3.070 4.365 1.00 73.43 C ATOM 271 CD2 LEU A 18 -9.210 -0.939 4.207 1.00 22.03 C ATOM 0 H LEU A 18 -8.140 -3.527 6.794 1.00 31.41 H new ATOM 0 HA LEU A 18 -9.975 -2.413 8.618 1.00 12.45 H new ATOM 0 HB2 LEU A 18 -10.895 -1.299 6.509 1.00 4.23 H new ATOM 0 HB3 LEU A 18 -9.203 -1.022 6.871 1.00 4.23 H new ATOM 0 HG LEU A 18 -8.638 -2.802 5.159 1.00 52.14 H new ATOM 0 HD11 LEU A 18 -10.247 -3.308 3.356 1.00 73.43 H new ATOM 0 HD12 LEU A 18 -10.720 -3.993 4.929 1.00 73.43 H new ATOM 0 HD13 LEU A 18 -11.533 -2.535 4.313 1.00 73.43 H new ATOM 0 HD21 LEU A 18 -8.949 -1.251 3.196 1.00 22.03 H new ATOM 0 HD22 LEU A 18 -10.082 -0.286 4.172 1.00 22.03 H new ATOM 0 HD23 LEU A 18 -8.371 -0.401 4.648 1.00 22.03 H new ATOM 283 N SER A 19 -12.422 -3.074 7.890 1.00 12.32 N ATOM 284 CA SER A 19 -13.752 -3.734 7.906 1.00 75.45 C ATOM 285 C SER A 19 -14.103 -4.315 6.517 1.00 44.33 C ATOM 286 O SER A 19 -14.482 -5.485 6.417 1.00 13.42 O ATOM 287 CB SER A 19 -14.851 -2.747 8.363 1.00 0.35 C ATOM 288 OG SER A 19 -16.135 -3.357 8.396 1.00 2.32 O ATOM 0 H SER A 19 -12.450 -2.085 8.136 1.00 12.32 H new ATOM 0 HA SER A 19 -13.703 -4.556 8.620 1.00 75.45 H new ATOM 0 HB2 SER A 19 -14.606 -2.365 9.354 1.00 0.35 H new ATOM 0 HB3 SER A 19 -14.873 -1.891 7.688 1.00 0.35 H new ATOM 0 HG SER A 19 -16.801 -2.701 8.691 1.00 2.32 H new ATOM 294 N GLY A 20 -13.939 -3.474 5.466 1.00 35.25 N ATOM 295 CA GLY A 20 -14.150 -3.874 4.056 1.00 64.20 C ATOM 296 C GLY A 20 -15.432 -4.672 3.779 1.00 31.32 C ATOM 297 O GLY A 20 -15.344 -5.862 3.429 1.00 30.24 O ATOM 0 H GLY A 20 -13.657 -2.500 5.574 1.00 35.25 H new ATOM 0 HA2 GLY A 20 -14.162 -2.975 3.440 1.00 64.20 H new ATOM 0 HA3 GLY A 20 -13.296 -4.469 3.734 1.00 64.20 H new ATOM 301 N PRO A 21 -16.645 -4.055 3.949 1.00 33.24 N ATOM 302 CA PRO A 21 -17.936 -4.761 3.760 1.00 15.12 C ATOM 303 C PRO A 21 -18.153 -5.231 2.295 1.00 32.12 C ATOM 304 O PRO A 21 -18.559 -4.448 1.430 1.00 52.32 O ATOM 305 CB PRO A 21 -19.000 -3.712 4.214 1.00 74.33 C ATOM 306 CG PRO A 21 -18.225 -2.678 4.982 1.00 71.21 C ATOM 307 CD PRO A 21 -16.864 -2.637 4.336 1.00 72.14 C ATOM 0 HA PRO A 21 -17.990 -5.686 4.334 1.00 15.12 H new ATOM 0 HB2 PRO A 21 -19.508 -3.269 3.357 1.00 74.33 H new ATOM 0 HB3 PRO A 21 -19.768 -4.172 4.836 1.00 74.33 H new ATOM 0 HG2 PRO A 21 -18.713 -1.705 4.933 1.00 71.21 H new ATOM 0 HG3 PRO A 21 -18.152 -2.945 6.036 1.00 71.21 H new ATOM 0 HD2 PRO A 21 -16.846 -1.974 3.471 1.00 72.14 H new ATOM 0 HD3 PRO A 21 -16.098 -2.282 5.026 1.00 72.14 H new ATOM 315 N GLY A 22 -17.831 -6.513 2.037 1.00 62.41 N ATOM 316 CA GLY A 22 -17.927 -7.103 0.694 1.00 23.45 C ATOM 317 C GLY A 22 -16.620 -7.000 -0.103 1.00 74.11 C ATOM 318 O GLY A 22 -15.528 -6.925 0.477 1.00 5.34 O ATOM 0 H GLY A 22 -17.500 -7.162 2.750 1.00 62.41 H new ATOM 0 HA2 GLY A 22 -18.209 -8.152 0.784 1.00 23.45 H new ATOM 0 HA3 GLY A 22 -18.723 -6.605 0.141 1.00 23.45 H new ATOM 322 N GLY A 23 -16.737 -7.004 -1.441 1.00 52.43 N ATOM 323 CA GLY A 23 -15.572 -6.939 -2.332 1.00 12.20 C ATOM 324 C GLY A 23 -15.952 -6.692 -3.804 1.00 3.31 C ATOM 325 O GLY A 23 -17.139 -6.555 -4.112 1.00 62.23 O ATOM 0 H GLY A 23 -17.632 -7.052 -1.929 1.00 52.43 H new ATOM 0 HA2 GLY A 23 -14.908 -6.142 -1.995 1.00 12.20 H new ATOM 0 HA3 GLY A 23 -15.013 -7.872 -2.259 1.00 12.20 H new ATOM 329 N PRO A 24 -14.966 -6.610 -4.760 1.00 51.43 N ATOM 330 CA PRO A 24 -13.502 -6.653 -4.479 1.00 74.21 C ATOM 331 C PRO A 24 -12.927 -5.322 -3.911 1.00 31.51 C ATOM 332 O PRO A 24 -13.511 -4.248 -4.091 1.00 44.03 O ATOM 333 CB PRO A 24 -12.876 -6.988 -5.871 1.00 14.31 C ATOM 334 CG PRO A 24 -14.043 -7.325 -6.762 1.00 21.21 C ATOM 335 CD PRO A 24 -15.203 -6.530 -6.217 1.00 15.04 C ATOM 0 HA PRO A 24 -13.272 -7.381 -3.701 1.00 74.21 H new ATOM 0 HB2 PRO A 24 -12.314 -6.141 -6.263 1.00 14.31 H new ATOM 0 HB3 PRO A 24 -12.182 -7.825 -5.799 1.00 14.31 H new ATOM 0 HG2 PRO A 24 -13.836 -7.059 -7.799 1.00 21.21 H new ATOM 0 HG3 PRO A 24 -14.256 -8.394 -6.744 1.00 21.21 H new ATOM 0 HD2 PRO A 24 -15.198 -5.501 -6.576 1.00 15.04 H new ATOM 0 HD3 PRO A 24 -16.163 -6.962 -6.499 1.00 15.04 H new ATOM 343 N VAL A 25 -11.789 -5.424 -3.203 1.00 11.34 N ATOM 344 CA VAL A 25 -11.031 -4.257 -2.704 1.00 41.15 C ATOM 345 C VAL A 25 -9.877 -3.927 -3.690 1.00 12.35 C ATOM 346 O VAL A 25 -9.116 -4.819 -4.086 1.00 22.22 O ATOM 347 CB VAL A 25 -10.449 -4.522 -1.268 1.00 73.34 C ATOM 348 CG1 VAL A 25 -9.721 -3.268 -0.716 1.00 31.21 C ATOM 349 CG2 VAL A 25 -11.553 -5.012 -0.289 1.00 15.04 C ATOM 0 H VAL A 25 -11.366 -6.319 -2.959 1.00 11.34 H new ATOM 0 HA VAL A 25 -11.713 -3.410 -2.637 1.00 41.15 H new ATOM 0 HB VAL A 25 -9.712 -5.320 -1.355 1.00 73.34 H new ATOM 0 HG11 VAL A 25 -9.330 -3.483 0.278 1.00 31.21 H new ATOM 0 HG12 VAL A 25 -8.898 -3.003 -1.380 1.00 31.21 H new ATOM 0 HG13 VAL A 25 -10.423 -2.436 -0.658 1.00 31.21 H new ATOM 0 HG21 VAL A 25 -11.116 -5.186 0.694 1.00 15.04 H new ATOM 0 HG22 VAL A 25 -12.333 -4.254 -0.211 1.00 15.04 H new ATOM 0 HG23 VAL A 25 -11.985 -5.940 -0.663 1.00 15.04 H new ATOM 359 N ARG A 26 -9.770 -2.647 -4.084 1.00 72.41 N ATOM 360 CA ARG A 26 -8.778 -2.163 -5.071 1.00 14.42 C ATOM 361 C ARG A 26 -7.625 -1.410 -4.380 1.00 62.00 C ATOM 362 O ARG A 26 -7.827 -0.760 -3.359 1.00 10.15 O ATOM 363 CB ARG A 26 -9.496 -1.235 -6.083 1.00 44.32 C ATOM 364 CG ARG A 26 -10.684 -1.916 -6.793 1.00 2.44 C ATOM 365 CD ARG A 26 -11.457 -0.976 -7.726 1.00 21.14 C ATOM 366 NE ARG A 26 -12.653 -1.644 -8.275 1.00 31.22 N ATOM 367 CZ ARG A 26 -13.327 -1.272 -9.333 1.00 34.14 C ATOM 368 NH1 ARG A 26 -12.943 -0.278 -10.064 1.00 52.24 N ATOM 369 NH2 ARG A 26 -14.395 -1.922 -9.661 1.00 33.21 N ATOM 0 H ARG A 26 -10.374 -1.908 -3.725 1.00 72.41 H new ATOM 0 HA ARG A 26 -8.345 -3.018 -5.590 1.00 14.42 H new ATOM 0 HB2 ARG A 26 -9.853 -0.347 -5.562 1.00 44.32 H new ATOM 0 HB3 ARG A 26 -8.778 -0.899 -6.831 1.00 44.32 H new ATOM 0 HG2 ARG A 26 -10.315 -2.765 -7.369 1.00 2.44 H new ATOM 0 HG3 ARG A 26 -11.367 -2.313 -6.042 1.00 2.44 H new ATOM 0 HD2 ARG A 26 -11.754 -0.080 -7.181 1.00 21.14 H new ATOM 0 HD3 ARG A 26 -10.810 -0.653 -8.541 1.00 21.14 H new ATOM 0 HE ARG A 26 -12.985 -2.474 -7.783 1.00 31.22 H new ATOM 0 HH11 ARG A 26 -12.096 0.237 -9.821 1.00 52.24 H new ATOM 0 HH12 ARG A 26 -13.486 -0.008 -10.884 1.00 52.24 H new ATOM 0 HH21 ARG A 26 -14.703 -2.714 -9.097 1.00 33.21 H new ATOM 0 HH22 ARG A 26 -14.930 -1.642 -10.483 1.00 33.21 H new ATOM 383 N TRP A 27 -6.413 -1.503 -4.945 1.00 41.01 N ATOM 384 CA TRP A 27 -5.234 -0.755 -4.452 1.00 60.30 C ATOM 385 C TRP A 27 -4.900 0.421 -5.377 1.00 11.22 C ATOM 386 O TRP A 27 -4.848 0.261 -6.592 1.00 23.13 O ATOM 387 CB TRP A 27 -4.009 -1.697 -4.305 1.00 13.54 C ATOM 388 CG TRP A 27 -3.995 -2.438 -2.995 1.00 64.24 C ATOM 389 CD1 TRP A 27 -4.397 -3.718 -2.750 1.00 34.23 C ATOM 390 CD2 TRP A 27 -3.584 -1.893 -1.736 1.00 74.15 C ATOM 391 NE1 TRP A 27 -4.217 -4.017 -1.426 1.00 5.10 N ATOM 392 CE2 TRP A 27 -3.723 -2.908 -0.780 1.00 10.35 C ATOM 393 CE3 TRP A 27 -3.084 -0.642 -1.339 1.00 4.40 C ATOM 394 CZ2 TRP A 27 -3.394 -2.712 0.553 1.00 63.35 C ATOM 395 CZ3 TRP A 27 -2.765 -0.445 -0.012 1.00 60.14 C ATOM 396 CH2 TRP A 27 -2.917 -1.477 0.919 1.00 12.00 C ATOM 0 H TRP A 27 -6.216 -2.094 -5.753 1.00 41.01 H new ATOM 0 HA TRP A 27 -5.480 -0.352 -3.469 1.00 60.30 H new ATOM 0 HB2 TRP A 27 -4.010 -2.416 -5.124 1.00 13.54 H new ATOM 0 HB3 TRP A 27 -3.094 -1.112 -4.396 1.00 13.54 H new ATOM 0 HD1 TRP A 27 -4.798 -4.395 -3.490 1.00 34.23 H new ATOM 0 HE1 TRP A 27 -4.417 -4.917 -0.989 1.00 5.10 H new ATOM 0 HE3 TRP A 27 -2.952 0.151 -2.060 1.00 4.40 H new ATOM 0 HZ2 TRP A 27 -3.509 -3.504 1.279 1.00 63.35 H new ATOM 0 HZ3 TRP A 27 -2.394 0.516 0.311 1.00 60.14 H new ATOM 0 HH2 TRP A 27 -2.653 -1.299 1.951 1.00 12.00 H new ATOM 407 N TYR A 28 -4.681 1.600 -4.771 1.00 1.30 N ATOM 408 CA TYR A 28 -4.267 2.838 -5.470 1.00 72.14 C ATOM 409 C TYR A 28 -2.999 3.428 -4.814 1.00 2.24 C ATOM 410 O TYR A 28 -2.613 3.038 -3.709 1.00 22.41 O ATOM 411 CB TYR A 28 -5.412 3.891 -5.456 1.00 42.42 C ATOM 412 CG TYR A 28 -6.697 3.485 -6.208 1.00 64.14 C ATOM 413 CD1 TYR A 28 -7.706 2.753 -5.576 1.00 40.01 C ATOM 414 CD2 TYR A 28 -6.905 3.852 -7.540 1.00 61.22 C ATOM 415 CE1 TYR A 28 -8.863 2.405 -6.247 1.00 15.12 C ATOM 416 CE2 TYR A 28 -8.067 3.509 -8.208 1.00 41.03 C ATOM 417 CZ TYR A 28 -9.040 2.784 -7.555 1.00 40.51 C ATOM 418 OH TYR A 28 -10.205 2.449 -8.210 1.00 32.01 O ATOM 0 H TYR A 28 -4.787 1.726 -3.764 1.00 1.30 H new ATOM 0 HA TYR A 28 -4.044 2.583 -6.506 1.00 72.14 H new ATOM 0 HB2 TYR A 28 -5.671 4.106 -4.419 1.00 42.42 H new ATOM 0 HB3 TYR A 28 -5.035 4.817 -5.890 1.00 42.42 H new ATOM 0 HD1 TYR A 28 -7.579 2.454 -4.546 1.00 40.01 H new ATOM 0 HD2 TYR A 28 -6.143 4.415 -8.059 1.00 61.22 H new ATOM 0 HE1 TYR A 28 -9.629 1.834 -5.742 1.00 15.12 H new ATOM 0 HE2 TYR A 28 -8.211 3.808 -9.236 1.00 41.03 H new ATOM 0 HH TYR A 28 -10.175 2.792 -9.128 1.00 32.01 H new ATOM 428 N LYS A 29 -2.358 4.359 -5.528 1.00 50.23 N ATOM 429 CA LYS A 29 -1.180 5.106 -5.037 1.00 23.34 C ATOM 430 C LYS A 29 -1.108 6.490 -5.720 1.00 73.23 C ATOM 431 O LYS A 29 -0.971 6.576 -6.946 1.00 40.50 O ATOM 432 CB LYS A 29 0.118 4.286 -5.282 1.00 44.15 C ATOM 433 CG LYS A 29 1.455 5.065 -5.147 1.00 72.13 C ATOM 434 CD LYS A 29 1.684 5.670 -3.742 1.00 43.32 C ATOM 435 CE LYS A 29 3.049 6.363 -3.617 1.00 43.42 C ATOM 436 NZ LYS A 29 4.178 5.437 -3.911 1.00 23.22 N ATOM 0 H LYS A 29 -2.639 4.623 -6.472 1.00 50.23 H new ATOM 0 HA LYS A 29 -1.278 5.264 -3.963 1.00 23.34 H new ATOM 0 HB2 LYS A 29 0.135 3.452 -4.580 1.00 44.15 H new ATOM 0 HB3 LYS A 29 0.070 3.859 -6.284 1.00 44.15 H new ATOM 0 HG2 LYS A 29 2.281 4.394 -5.383 1.00 72.13 H new ATOM 0 HG3 LYS A 29 1.474 5.867 -5.885 1.00 72.13 H new ATOM 0 HD2 LYS A 29 0.894 6.389 -3.526 1.00 43.32 H new ATOM 0 HD3 LYS A 29 1.610 4.881 -2.994 1.00 43.32 H new ATOM 0 HE2 LYS A 29 3.089 7.210 -4.301 1.00 43.42 H new ATOM 0 HE3 LYS A 29 3.161 6.762 -2.609 1.00 43.42 H new ATOM 0 HZ1 LYS A 29 5.081 5.933 -3.765 1.00 23.22 H new ATOM 0 HZ2 LYS A 29 4.128 4.615 -3.275 1.00 23.22 H new ATOM 0 HZ3 LYS A 29 4.115 5.115 -4.898 1.00 23.22 H new ATOM 450 N ASP A 30 -1.269 7.558 -4.901 1.00 42.02 N ATOM 451 CA ASP A 30 -1.127 8.987 -5.299 1.00 2.25 C ATOM 452 C ASP A 30 -2.300 9.519 -6.184 1.00 43.11 C ATOM 453 O ASP A 30 -2.619 10.716 -6.147 1.00 25.53 O ATOM 454 CB ASP A 30 0.252 9.234 -5.981 1.00 35.22 C ATOM 455 CG ASP A 30 0.540 10.716 -6.272 1.00 52.00 C ATOM 456 OD1 ASP A 30 0.774 11.476 -5.312 1.00 14.02 O ATOM 457 OD2 ASP A 30 0.521 11.130 -7.454 1.00 0.11 O ATOM 0 H ASP A 30 -1.508 7.449 -3.915 1.00 42.02 H new ATOM 0 HA ASP A 30 -1.176 9.564 -4.375 1.00 2.25 H new ATOM 0 HB2 ASP A 30 1.040 8.839 -5.340 1.00 35.22 H new ATOM 0 HB3 ASP A 30 0.291 8.675 -6.916 1.00 35.22 H new ATOM 462 N GLY A 31 -2.946 8.625 -6.945 1.00 25.14 N ATOM 463 CA GLY A 31 -3.957 9.000 -7.939 1.00 71.40 C ATOM 464 C GLY A 31 -4.171 7.920 -9.004 1.00 63.41 C ATOM 465 O GLY A 31 -5.125 8.000 -9.787 1.00 10.22 O ATOM 0 H GLY A 31 -2.781 7.620 -6.887 1.00 25.14 H new ATOM 0 HA2 GLY A 31 -4.902 9.197 -7.433 1.00 71.40 H new ATOM 0 HA3 GLY A 31 -3.656 9.928 -8.425 1.00 71.40 H new ATOM 469 N GLU A 32 -3.279 6.905 -9.043 1.00 32.45 N ATOM 470 CA GLU A 32 -3.381 5.770 -9.989 1.00 31.11 C ATOM 471 C GLU A 32 -3.264 4.432 -9.247 1.00 73.14 C ATOM 472 O GLU A 32 -2.420 4.280 -8.366 1.00 42.01 O ATOM 473 CB GLU A 32 -2.273 5.855 -11.071 1.00 75.23 C ATOM 474 CG GLU A 32 -2.360 4.747 -12.146 1.00 23.32 C ATOM 475 CD GLU A 32 -1.235 4.811 -13.188 1.00 12.11 C ATOM 476 OE1 GLU A 32 -0.116 4.330 -12.901 1.00 4.21 O ATOM 477 OE2 GLU A 32 -1.460 5.340 -14.297 1.00 61.30 O ATOM 0 H GLU A 32 -2.471 6.849 -8.423 1.00 32.45 H new ATOM 0 HA GLU A 32 -4.357 5.828 -10.471 1.00 31.11 H new ATOM 0 HB2 GLU A 32 -2.331 6.827 -11.560 1.00 75.23 H new ATOM 0 HB3 GLU A 32 -1.299 5.800 -10.585 1.00 75.23 H new ATOM 0 HG2 GLU A 32 -2.334 3.774 -11.656 1.00 23.32 H new ATOM 0 HG3 GLU A 32 -3.321 4.822 -12.656 1.00 23.32 H new ATOM 484 N ARG A 33 -4.106 3.461 -9.643 1.00 24.24 N ATOM 485 CA ARG A 33 -4.112 2.092 -9.080 1.00 3.25 C ATOM 486 C ARG A 33 -2.754 1.360 -9.269 1.00 62.41 C ATOM 487 O ARG A 33 -2.023 1.621 -10.234 1.00 63.32 O ATOM 488 CB ARG A 33 -5.266 1.240 -9.710 1.00 30.24 C ATOM 489 CG ARG A 33 -5.008 0.726 -11.151 1.00 32.31 C ATOM 490 CD ARG A 33 -5.008 1.846 -12.203 1.00 5.04 C ATOM 491 NE ARG A 33 -4.642 1.379 -13.545 1.00 62.03 N ATOM 492 CZ ARG A 33 -4.721 2.103 -14.640 1.00 60.24 C ATOM 493 NH1 ARG A 33 -5.176 3.324 -14.614 1.00 13.40 N ATOM 494 NH2 ARG A 33 -4.354 1.595 -15.767 1.00 71.41 N ATOM 0 H ARG A 33 -4.809 3.602 -10.369 1.00 24.24 H new ATOM 0 HA ARG A 33 -4.279 2.199 -8.008 1.00 3.25 H new ATOM 0 HB2 ARG A 33 -5.454 0.382 -9.065 1.00 30.24 H new ATOM 0 HB3 ARG A 33 -6.176 1.840 -9.715 1.00 30.24 H new ATOM 0 HG2 ARG A 33 -4.048 0.210 -11.179 1.00 32.31 H new ATOM 0 HG3 ARG A 33 -5.772 -0.007 -11.410 1.00 32.31 H new ATOM 0 HD2 ARG A 33 -5.998 2.300 -12.241 1.00 5.04 H new ATOM 0 HD3 ARG A 33 -4.312 2.626 -11.894 1.00 5.04 H new ATOM 0 HE ARG A 33 -4.301 0.422 -13.635 1.00 62.03 H new ATOM 0 HH11 ARG A 33 -5.480 3.736 -13.732 1.00 13.40 H new ATOM 0 HH12 ARG A 33 -5.228 3.867 -15.476 1.00 13.40 H new ATOM 0 HH21 ARG A 33 -4.005 0.637 -15.805 1.00 71.41 H new ATOM 0 HH22 ARG A 33 -4.413 2.151 -16.620 1.00 71.41 H new ATOM 508 N LEU A 34 -2.435 0.441 -8.342 1.00 65.50 N ATOM 509 CA LEU A 34 -1.265 -0.451 -8.467 1.00 65.50 C ATOM 510 C LEU A 34 -1.663 -1.773 -9.151 1.00 11.55 C ATOM 511 O LEU A 34 -2.695 -2.361 -8.820 1.00 74.24 O ATOM 512 CB LEU A 34 -0.637 -0.735 -7.076 1.00 75.23 C ATOM 513 CG LEU A 34 -0.031 0.501 -6.337 1.00 41.00 C ATOM 514 CD1 LEU A 34 0.670 0.099 -5.037 1.00 54.50 C ATOM 515 CD2 LEU A 34 0.923 1.296 -7.261 1.00 22.14 C ATOM 0 H LEU A 34 -2.976 0.294 -7.490 1.00 65.50 H new ATOM 0 HA LEU A 34 -0.521 0.052 -9.085 1.00 65.50 H new ATOM 0 HB2 LEU A 34 -1.401 -1.177 -6.437 1.00 75.23 H new ATOM 0 HB3 LEU A 34 0.148 -1.482 -7.198 1.00 75.23 H new ATOM 0 HG LEU A 34 -0.862 1.154 -6.070 1.00 41.00 H new ATOM 0 HD11 LEU A 34 1.078 0.987 -4.554 1.00 54.50 H new ATOM 0 HD12 LEU A 34 -0.047 -0.380 -4.370 1.00 54.50 H new ATOM 0 HD13 LEU A 34 1.479 -0.596 -5.260 1.00 54.50 H new ATOM 0 HD21 LEU A 34 1.328 2.150 -6.718 1.00 22.14 H new ATOM 0 HD22 LEU A 34 1.740 0.650 -7.583 1.00 22.14 H new ATOM 0 HD23 LEU A 34 0.374 1.649 -8.134 1.00 22.14 H new ATOM 527 N ALA A 35 -0.845 -2.209 -10.118 1.00 32.11 N ATOM 528 CA ALA A 35 -0.982 -3.523 -10.781 1.00 21.32 C ATOM 529 C ALA A 35 0.022 -4.536 -10.182 1.00 31.22 C ATOM 530 O ALA A 35 0.989 -4.140 -9.518 1.00 33.24 O ATOM 531 CB ALA A 35 -0.760 -3.365 -12.297 1.00 70.34 C ATOM 0 H ALA A 35 -0.061 -1.659 -10.469 1.00 32.11 H new ATOM 0 HA ALA A 35 -1.989 -3.906 -10.612 1.00 21.32 H new ATOM 0 HB1 ALA A 35 -0.862 -4.335 -12.783 1.00 70.34 H new ATOM 0 HB2 ALA A 35 -1.501 -2.676 -12.703 1.00 70.34 H new ATOM 0 HB3 ALA A 35 0.240 -2.971 -12.479 1.00 70.34 H new ATOM 537 N SER A 36 -0.209 -5.839 -10.428 1.00 71.20 N ATOM 538 CA SER A 36 0.707 -6.918 -9.984 1.00 22.25 C ATOM 539 C SER A 36 2.047 -6.862 -10.766 1.00 43.32 C ATOM 540 O SER A 36 2.188 -7.436 -11.849 1.00 35.13 O ATOM 541 CB SER A 36 0.023 -8.306 -10.129 1.00 44.15 C ATOM 542 OG SER A 36 -0.414 -8.548 -11.461 1.00 23.55 O ATOM 0 H SER A 36 -1.027 -6.176 -10.935 1.00 71.20 H new ATOM 0 HA SER A 36 0.936 -6.765 -8.929 1.00 22.25 H new ATOM 0 HB2 SER A 36 0.721 -9.087 -9.829 1.00 44.15 H new ATOM 0 HB3 SER A 36 -0.829 -8.363 -9.452 1.00 44.15 H new ATOM 0 HG SER A 36 0.249 -8.196 -12.092 1.00 23.55 H new ATOM 548 N GLN A 37 2.996 -6.096 -10.222 1.00 62.43 N ATOM 549 CA GLN A 37 4.352 -5.920 -10.784 1.00 52.41 C ATOM 550 C GLN A 37 5.358 -6.841 -10.039 1.00 13.01 C ATOM 551 O GLN A 37 5.047 -7.352 -8.958 1.00 3.41 O ATOM 552 CB GLN A 37 4.742 -4.419 -10.637 1.00 63.21 C ATOM 553 CG GLN A 37 6.029 -3.981 -11.363 1.00 62.43 C ATOM 554 CD GLN A 37 6.434 -2.527 -11.073 1.00 72.35 C ATOM 555 OE1 GLN A 37 5.597 -1.670 -10.810 1.00 65.05 O ATOM 556 NE2 GLN A 37 7.718 -2.236 -11.132 1.00 3.53 N ATOM 0 H GLN A 37 2.848 -5.568 -9.362 1.00 62.43 H new ATOM 0 HA GLN A 37 4.374 -6.198 -11.838 1.00 52.41 H new ATOM 0 HB2 GLN A 37 3.916 -3.812 -11.006 1.00 63.21 H new ATOM 0 HB3 GLN A 37 4.853 -4.195 -9.576 1.00 63.21 H new ATOM 0 HG2 GLN A 37 6.845 -4.642 -11.070 1.00 62.43 H new ATOM 0 HG3 GLN A 37 5.890 -4.103 -12.437 1.00 62.43 H new ATOM 0 HE21 GLN A 37 8.397 -2.965 -11.353 1.00 3.53 H new ATOM 0 HE22 GLN A 37 8.033 -1.282 -10.957 1.00 3.53 H new ATOM 565 N GLY A 38 6.562 -7.042 -10.621 1.00 51.11 N ATOM 566 CA GLY A 38 7.637 -7.824 -9.974 1.00 64.01 C ATOM 567 C GLY A 38 8.041 -7.285 -8.591 1.00 3.45 C ATOM 568 O GLY A 38 8.291 -8.060 -7.667 1.00 74.44 O ATOM 0 H GLY A 38 6.812 -6.673 -11.538 1.00 51.11 H new ATOM 0 HA2 GLY A 38 7.311 -8.859 -9.871 1.00 64.01 H new ATOM 0 HA3 GLY A 38 8.513 -7.829 -10.623 1.00 64.01 H new ATOM 572 N ARG A 39 8.104 -5.944 -8.468 1.00 41.44 N ATOM 573 CA ARG A 39 8.272 -5.256 -7.165 1.00 4.40 C ATOM 574 C ARG A 39 6.931 -5.220 -6.395 1.00 14.22 C ATOM 575 O ARG A 39 6.848 -5.675 -5.252 1.00 30.32 O ATOM 576 CB ARG A 39 8.785 -3.798 -7.365 1.00 34.13 C ATOM 577 CG ARG A 39 10.182 -3.681 -8.009 1.00 12.54 C ATOM 578 CD ARG A 39 10.619 -2.212 -8.208 1.00 4.10 C ATOM 579 NE ARG A 39 10.734 -1.473 -6.928 1.00 73.11 N ATOM 580 CZ ARG A 39 10.131 -0.337 -6.623 1.00 62.13 C ATOM 581 NH1 ARG A 39 9.306 0.236 -7.439 1.00 13.43 N ATOM 582 NH2 ARG A 39 10.351 0.214 -5.483 1.00 23.44 N ATOM 0 H ARG A 39 8.041 -5.307 -9.262 1.00 41.44 H new ATOM 0 HA ARG A 39 9.009 -5.816 -6.589 1.00 4.40 H new ATOM 0 HB2 ARG A 39 8.069 -3.259 -7.985 1.00 34.13 H new ATOM 0 HB3 ARG A 39 8.805 -3.300 -6.396 1.00 34.13 H new ATOM 0 HG2 ARG A 39 10.912 -4.192 -7.382 1.00 12.54 H new ATOM 0 HG3 ARG A 39 10.178 -4.190 -8.973 1.00 12.54 H new ATOM 0 HD2 ARG A 39 11.579 -2.189 -8.724 1.00 4.10 H new ATOM 0 HD3 ARG A 39 9.899 -1.707 -8.852 1.00 4.10 H new ATOM 0 HE ARG A 39 11.337 -1.881 -6.213 1.00 73.11 H new ATOM 0 HH11 ARG A 39 9.107 -0.189 -8.345 1.00 13.43 H new ATOM 0 HH12 ARG A 39 8.855 1.113 -7.177 1.00 13.43 H new ATOM 0 HH21 ARG A 39 10.988 -0.225 -4.819 1.00 23.44 H new ATOM 0 HH22 ARG A 39 9.888 1.091 -5.243 1.00 23.44 H new ATOM 596 N VAL A 40 5.890 -4.688 -7.067 1.00 41.14 N ATOM 597 CA VAL A 40 4.564 -4.416 -6.464 1.00 65.31 C ATOM 598 C VAL A 40 3.674 -5.697 -6.430 1.00 52.15 C ATOM 599 O VAL A 40 2.921 -5.988 -7.362 1.00 1.44 O ATOM 600 CB VAL A 40 3.849 -3.236 -7.235 1.00 61.32 C ATOM 601 CG1 VAL A 40 2.455 -2.915 -6.654 1.00 51.54 C ATOM 602 CG2 VAL A 40 4.750 -1.968 -7.263 1.00 2.53 C ATOM 0 H VAL A 40 5.944 -4.432 -8.053 1.00 41.14 H new ATOM 0 HA VAL A 40 4.716 -4.110 -5.429 1.00 65.31 H new ATOM 0 HB VAL A 40 3.693 -3.571 -8.260 1.00 61.32 H new ATOM 0 HG11 VAL A 40 2.005 -2.098 -7.218 1.00 51.54 H new ATOM 0 HG12 VAL A 40 1.819 -3.798 -6.725 1.00 51.54 H new ATOM 0 HG13 VAL A 40 2.555 -2.623 -5.609 1.00 51.54 H new ATOM 0 HG21 VAL A 40 4.237 -1.169 -7.799 1.00 2.53 H new ATOM 0 HG22 VAL A 40 4.957 -1.646 -6.242 1.00 2.53 H new ATOM 0 HG23 VAL A 40 5.688 -2.199 -7.768 1.00 2.53 H new ATOM 612 N GLN A 41 3.835 -6.481 -5.357 1.00 51.21 N ATOM 613 CA GLN A 41 3.034 -7.696 -5.095 1.00 43.22 C ATOM 614 C GLN A 41 1.651 -7.326 -4.487 1.00 12.21 C ATOM 615 O GLN A 41 1.581 -6.526 -3.548 1.00 42.13 O ATOM 616 CB GLN A 41 3.792 -8.612 -4.102 1.00 63.31 C ATOM 617 CG GLN A 41 5.252 -8.927 -4.455 1.00 54.01 C ATOM 618 CD GLN A 41 5.903 -9.872 -3.437 1.00 12.20 C ATOM 619 OE1 GLN A 41 5.849 -11.083 -3.581 1.00 74.32 O ATOM 620 NE2 GLN A 41 6.511 -9.330 -2.395 1.00 55.35 N ATOM 0 H GLN A 41 4.531 -6.293 -4.635 1.00 51.21 H new ATOM 0 HA GLN A 41 2.877 -8.214 -6.041 1.00 43.22 H new ATOM 0 HB2 GLN A 41 3.770 -8.144 -3.118 1.00 63.31 H new ATOM 0 HB3 GLN A 41 3.248 -9.553 -4.019 1.00 63.31 H new ATOM 0 HG2 GLN A 41 5.295 -9.378 -5.446 1.00 54.01 H new ATOM 0 HG3 GLN A 41 5.821 -7.999 -4.502 1.00 54.01 H new ATOM 0 HE21 GLN A 41 6.544 -8.315 -2.295 1.00 55.35 H new ATOM 0 HE22 GLN A 41 6.947 -9.927 -1.692 1.00 55.35 H new ATOM 629 N LEU A 42 0.558 -7.921 -5.007 1.00 54.44 N ATOM 630 CA LEU A 42 -0.817 -7.707 -4.473 1.00 43.03 C ATOM 631 C LEU A 42 -1.455 -9.021 -3.962 1.00 41.44 C ATOM 632 O LEU A 42 -1.077 -10.120 -4.383 1.00 24.45 O ATOM 633 CB LEU A 42 -1.734 -7.045 -5.544 1.00 15.32 C ATOM 634 CG LEU A 42 -1.418 -5.551 -5.889 1.00 70.54 C ATOM 635 CD1 LEU A 42 -2.445 -4.978 -6.883 1.00 31.44 C ATOM 636 CD2 LEU A 42 -1.360 -4.684 -4.614 1.00 10.12 C ATOM 0 H LEU A 42 0.595 -8.559 -5.802 1.00 54.44 H new ATOM 0 HA LEU A 42 -0.724 -7.032 -3.622 1.00 43.03 H new ATOM 0 HB2 LEU A 42 -1.669 -7.631 -6.461 1.00 15.32 H new ATOM 0 HB3 LEU A 42 -2.766 -7.107 -5.198 1.00 15.32 H new ATOM 0 HG LEU A 42 -0.437 -5.527 -6.363 1.00 70.54 H new ATOM 0 HD11 LEU A 42 -2.198 -3.939 -7.103 1.00 31.44 H new ATOM 0 HD12 LEU A 42 -2.422 -5.559 -7.805 1.00 31.44 H new ATOM 0 HD13 LEU A 42 -3.442 -5.030 -6.446 1.00 31.44 H new ATOM 0 HD21 LEU A 42 -1.139 -3.652 -4.886 1.00 10.12 H new ATOM 0 HD22 LEU A 42 -2.321 -4.726 -4.101 1.00 10.12 H new ATOM 0 HD23 LEU A 42 -0.579 -5.061 -3.953 1.00 10.12 H new ATOM 648 N GLU A 43 -2.409 -8.879 -3.018 1.00 45.30 N ATOM 649 CA GLU A 43 -3.255 -9.988 -2.513 1.00 64.43 C ATOM 650 C GLU A 43 -4.751 -9.625 -2.628 1.00 62.20 C ATOM 651 O GLU A 43 -5.228 -8.716 -1.947 1.00 51.50 O ATOM 652 CB GLU A 43 -2.905 -10.335 -1.038 1.00 15.03 C ATOM 653 CG GLU A 43 -1.616 -11.159 -0.868 1.00 1.43 C ATOM 654 CD GLU A 43 -1.337 -11.552 0.587 1.00 34.34 C ATOM 655 OE1 GLU A 43 -2.167 -12.276 1.170 1.00 45.40 O ATOM 656 OE2 GLU A 43 -0.285 -11.170 1.145 1.00 51.12 O ATOM 0 H GLU A 43 -2.618 -7.983 -2.578 1.00 45.30 H new ATOM 0 HA GLU A 43 -3.054 -10.865 -3.129 1.00 64.43 H new ATOM 0 HB2 GLU A 43 -2.807 -9.408 -0.473 1.00 15.03 H new ATOM 0 HB3 GLU A 43 -3.736 -10.888 -0.601 1.00 15.03 H new ATOM 0 HG2 GLU A 43 -1.687 -12.062 -1.474 1.00 1.43 H new ATOM 0 HG3 GLU A 43 -0.772 -10.584 -1.250 1.00 1.43 H new ATOM 663 N GLN A 44 -5.478 -10.354 -3.492 1.00 15.42 N ATOM 664 CA GLN A 44 -6.934 -10.171 -3.700 1.00 1.03 C ATOM 665 C GLN A 44 -7.743 -11.145 -2.802 1.00 25.41 C ATOM 666 O GLN A 44 -7.664 -12.368 -2.963 1.00 4.01 O ATOM 667 CB GLN A 44 -7.275 -10.351 -5.212 1.00 43.41 C ATOM 668 CG GLN A 44 -6.712 -11.633 -5.872 1.00 13.13 C ATOM 669 CD GLN A 44 -6.989 -11.708 -7.374 1.00 40.22 C ATOM 670 OE1 GLN A 44 -6.208 -11.225 -8.186 1.00 23.42 O ATOM 671 NE2 GLN A 44 -8.101 -12.299 -7.756 1.00 65.34 N ATOM 0 H GLN A 44 -5.075 -11.091 -4.071 1.00 15.42 H new ATOM 0 HA GLN A 44 -7.217 -9.160 -3.408 1.00 1.03 H new ATOM 0 HB2 GLN A 44 -8.359 -10.351 -5.325 1.00 43.41 H new ATOM 0 HB3 GLN A 44 -6.897 -9.486 -5.758 1.00 43.41 H new ATOM 0 HG2 GLN A 44 -5.636 -11.678 -5.705 1.00 13.13 H new ATOM 0 HG3 GLN A 44 -7.147 -12.506 -5.385 1.00 13.13 H new ATOM 0 HE21 GLN A 44 -8.734 -12.693 -7.060 1.00 65.34 H new ATOM 0 HE22 GLN A 44 -8.330 -12.363 -8.748 1.00 65.34 H new ATOM 680 N ALA A 45 -8.512 -10.586 -1.842 1.00 71.31 N ATOM 681 CA ALA A 45 -9.276 -11.389 -0.857 1.00 35.42 C ATOM 682 C ALA A 45 -10.484 -10.602 -0.295 1.00 20.34 C ATOM 683 O ALA A 45 -11.642 -10.924 -0.589 1.00 31.30 O ATOM 684 CB ALA A 45 -8.345 -11.856 0.286 1.00 64.04 C ATOM 0 H ALA A 45 -8.621 -9.578 -1.727 1.00 71.31 H new ATOM 0 HA ALA A 45 -9.671 -12.266 -1.370 1.00 35.42 H new ATOM 0 HB1 ALA A 45 -8.917 -12.445 1.003 1.00 64.04 H new ATOM 0 HB2 ALA A 45 -7.541 -12.466 -0.126 1.00 64.04 H new ATOM 0 HB3 ALA A 45 -7.920 -10.986 0.787 1.00 64.04 H new ATOM 690 N GLY A 46 -10.197 -9.549 0.491 1.00 23.35 N ATOM 691 CA GLY A 46 -11.240 -8.783 1.214 1.00 5.34 C ATOM 692 C GLY A 46 -11.034 -8.852 2.726 1.00 30.20 C ATOM 693 O GLY A 46 -10.702 -9.926 3.241 1.00 44.13 O ATOM 0 H GLY A 46 -9.249 -9.205 0.645 1.00 23.35 H new ATOM 0 HA2 GLY A 46 -11.220 -7.743 0.890 1.00 5.34 H new ATOM 0 HA3 GLY A 46 -12.224 -9.177 0.961 1.00 5.34 H new ATOM 697 N ALA A 47 -11.235 -7.710 3.430 1.00 13.12 N ATOM 698 CA ALA A 47 -10.797 -7.506 4.844 1.00 33.13 C ATOM 699 C ALA A 47 -9.246 -7.556 4.946 1.00 33.42 C ATOM 700 O ALA A 47 -8.596 -6.527 5.176 1.00 55.03 O ATOM 701 CB ALA A 47 -11.477 -8.489 5.828 1.00 1.40 C ATOM 0 H ALA A 47 -11.708 -6.897 3.035 1.00 13.12 H new ATOM 0 HA ALA A 47 -11.125 -6.512 5.147 1.00 33.13 H new ATOM 0 HB1 ALA A 47 -11.121 -8.295 6.840 1.00 1.40 H new ATOM 0 HB2 ALA A 47 -12.558 -8.352 5.791 1.00 1.40 H new ATOM 0 HB3 ALA A 47 -11.231 -9.513 5.547 1.00 1.40 H new ATOM 707 N ARG A 48 -8.665 -8.762 4.752 1.00 34.34 N ATOM 708 CA ARG A 48 -7.219 -8.927 4.539 1.00 60.14 C ATOM 709 C ARG A 48 -6.819 -8.400 3.139 1.00 34.32 C ATOM 710 O ARG A 48 -7.282 -8.904 2.106 1.00 0.24 O ATOM 711 CB ARG A 48 -6.777 -10.414 4.672 1.00 0.32 C ATOM 712 CG ARG A 48 -5.276 -10.642 4.333 1.00 14.51 C ATOM 713 CD ARG A 48 -4.831 -12.109 4.407 1.00 61.41 C ATOM 714 NE ARG A 48 -3.460 -12.282 3.878 1.00 64.43 N ATOM 715 CZ ARG A 48 -2.544 -13.097 4.347 1.00 62.21 C ATOM 716 NH1 ARG A 48 -2.768 -13.852 5.377 1.00 21.22 N ATOM 717 NH2 ARG A 48 -1.392 -13.139 3.777 1.00 25.01 N ATOM 0 H ARG A 48 -9.186 -9.639 4.740 1.00 34.34 H new ATOM 0 HA ARG A 48 -6.713 -8.350 5.313 1.00 60.14 H new ATOM 0 HB2 ARG A 48 -6.968 -10.753 5.690 1.00 0.32 H new ATOM 0 HB3 ARG A 48 -7.389 -11.028 4.011 1.00 0.32 H new ATOM 0 HG2 ARG A 48 -5.080 -10.265 3.329 1.00 14.51 H new ATOM 0 HG3 ARG A 48 -4.667 -10.054 5.019 1.00 14.51 H new ATOM 0 HD2 ARG A 48 -4.870 -12.451 5.441 1.00 61.41 H new ATOM 0 HD3 ARG A 48 -5.523 -12.730 3.839 1.00 61.41 H new ATOM 0 HE ARG A 48 -3.202 -11.713 3.071 1.00 64.43 H new ATOM 0 HH11 ARG A 48 -3.674 -13.822 5.844 1.00 21.22 H new ATOM 0 HH12 ARG A 48 -2.038 -14.476 5.720 1.00 21.22 H new ATOM 0 HH21 ARG A 48 -1.200 -12.544 2.971 1.00 25.01 H new ATOM 0 HH22 ARG A 48 -0.671 -13.767 4.131 1.00 25.01 H new ATOM 731 N GLN A 49 -5.983 -7.358 3.142 1.00 71.04 N ATOM 732 CA GLN A 49 -5.304 -6.813 1.952 1.00 44.05 C ATOM 733 C GLN A 49 -3.833 -6.579 2.304 1.00 32.41 C ATOM 734 O GLN A 49 -3.531 -6.081 3.385 1.00 1.33 O ATOM 735 CB GLN A 49 -5.975 -5.483 1.505 1.00 64.41 C ATOM 736 CG GLN A 49 -7.358 -5.666 0.845 1.00 60.32 C ATOM 737 CD GLN A 49 -7.286 -6.359 -0.525 1.00 63.23 C ATOM 738 OE1 GLN A 49 -6.322 -6.200 -1.266 1.00 33.32 O ATOM 739 NE2 GLN A 49 -8.305 -7.127 -0.878 1.00 41.14 N ATOM 0 H GLN A 49 -5.750 -6.852 3.996 1.00 71.04 H new ATOM 0 HA GLN A 49 -5.380 -7.518 1.124 1.00 44.05 H new ATOM 0 HB2 GLN A 49 -6.082 -4.833 2.373 1.00 64.41 H new ATOM 0 HB3 GLN A 49 -5.314 -4.973 0.804 1.00 64.41 H new ATOM 0 HG2 GLN A 49 -7.996 -6.251 1.508 1.00 60.32 H new ATOM 0 HG3 GLN A 49 -7.830 -4.690 0.728 1.00 60.32 H new ATOM 0 HE21 GLN A 49 -9.097 -7.246 -0.246 1.00 41.14 H new ATOM 0 HE22 GLN A 49 -8.298 -7.600 -1.782 1.00 41.14 H new ATOM 748 N VAL A 50 -2.902 -6.998 1.435 1.00 11.31 N ATOM 749 CA VAL A 50 -1.462 -6.736 1.654 1.00 13.53 C ATOM 750 C VAL A 50 -0.790 -6.282 0.335 1.00 74.11 C ATOM 751 O VAL A 50 -0.770 -7.020 -0.655 1.00 2.40 O ATOM 752 CB VAL A 50 -0.687 -7.975 2.259 1.00 30.55 C ATOM 753 CG1 VAL A 50 0.727 -7.559 2.711 1.00 2.33 C ATOM 754 CG2 VAL A 50 -1.438 -8.642 3.442 1.00 1.22 C ATOM 0 H VAL A 50 -3.111 -7.515 0.581 1.00 11.31 H new ATOM 0 HA VAL A 50 -1.403 -5.937 2.393 1.00 13.53 H new ATOM 0 HB VAL A 50 -0.620 -8.714 1.461 1.00 30.55 H new ATOM 0 HG11 VAL A 50 1.246 -8.424 3.125 1.00 2.33 H new ATOM 0 HG12 VAL A 50 1.284 -7.176 1.856 1.00 2.33 H new ATOM 0 HG13 VAL A 50 0.652 -6.783 3.472 1.00 2.33 H new ATOM 0 HG21 VAL A 50 -0.856 -9.485 3.813 1.00 1.22 H new ATOM 0 HG22 VAL A 50 -1.575 -7.915 4.242 1.00 1.22 H new ATOM 0 HG23 VAL A 50 -2.412 -8.995 3.102 1.00 1.22 H new ATOM 764 N LEU A 51 -0.276 -5.044 0.336 1.00 52.43 N ATOM 765 CA LEU A 51 0.535 -4.478 -0.765 1.00 51.20 C ATOM 766 C LEU A 51 2.029 -4.523 -0.369 1.00 44.43 C ATOM 767 O LEU A 51 2.414 -4.001 0.674 1.00 3.15 O ATOM 768 CB LEU A 51 0.014 -3.029 -1.088 1.00 3.11 C ATOM 769 CG LEU A 51 0.838 -2.081 -2.047 1.00 73.22 C ATOM 770 CD1 LEU A 51 1.955 -1.319 -1.303 1.00 21.31 C ATOM 771 CD2 LEU A 51 1.408 -2.840 -3.257 1.00 31.10 C ATOM 0 H LEU A 51 -0.411 -4.394 1.110 1.00 52.43 H new ATOM 0 HA LEU A 51 0.435 -5.064 -1.679 1.00 51.20 H new ATOM 0 HB2 LEU A 51 -0.983 -3.132 -1.515 1.00 3.11 H new ATOM 0 HB3 LEU A 51 -0.099 -2.507 -0.138 1.00 3.11 H new ATOM 0 HG LEU A 51 0.130 -1.341 -2.420 1.00 73.22 H new ATOM 0 HD11 LEU A 51 2.491 -0.682 -2.006 1.00 21.31 H new ATOM 0 HD12 LEU A 51 1.515 -0.704 -0.518 1.00 21.31 H new ATOM 0 HD13 LEU A 51 2.649 -2.033 -0.858 1.00 21.31 H new ATOM 0 HD21 LEU A 51 1.967 -2.150 -3.889 1.00 31.10 H new ATOM 0 HD22 LEU A 51 2.071 -3.632 -2.910 1.00 31.10 H new ATOM 0 HD23 LEU A 51 0.590 -3.277 -3.831 1.00 31.10 H new ATOM 783 N ARG A 52 2.860 -5.171 -1.211 1.00 33.22 N ATOM 784 CA ARG A 52 4.324 -5.231 -1.016 1.00 62.11 C ATOM 785 C ARG A 52 5.061 -4.519 -2.172 1.00 45.22 C ATOM 786 O ARG A 52 5.077 -5.024 -3.280 1.00 51.44 O ATOM 787 CB ARG A 52 4.850 -6.701 -0.900 1.00 3.53 C ATOM 788 CG ARG A 52 4.330 -7.506 0.314 1.00 54.33 C ATOM 789 CD ARG A 52 2.939 -8.123 0.093 1.00 64.02 C ATOM 790 NE ARG A 52 2.964 -9.280 -0.819 1.00 45.51 N ATOM 791 CZ ARG A 52 1.929 -9.765 -1.458 1.00 24.43 C ATOM 792 NH1 ARG A 52 0.811 -9.127 -1.504 1.00 75.42 N ATOM 793 NH2 ARG A 52 2.041 -10.869 -2.108 1.00 41.04 N ATOM 0 H ARG A 52 2.537 -5.666 -2.042 1.00 33.22 H new ATOM 0 HA ARG A 52 4.531 -4.721 -0.075 1.00 62.11 H new ATOM 0 HB2 ARG A 52 4.580 -7.237 -1.810 1.00 3.53 H new ATOM 0 HB3 ARG A 52 5.939 -6.675 -0.856 1.00 3.53 H new ATOM 0 HG2 ARG A 52 5.039 -8.302 0.542 1.00 54.33 H new ATOM 0 HG3 ARG A 52 4.294 -6.851 1.185 1.00 54.33 H new ATOM 0 HD2 ARG A 52 2.528 -8.433 1.054 1.00 64.02 H new ATOM 0 HD3 ARG A 52 2.270 -7.363 -0.310 1.00 64.02 H new ATOM 0 HE ARG A 52 3.862 -9.741 -0.965 1.00 45.51 H new ATOM 0 HH11 ARG A 52 0.719 -8.225 -1.037 1.00 75.42 H new ATOM 0 HH12 ARG A 52 0.018 -9.524 -2.008 1.00 75.42 H new ATOM 0 HH21 ARG A 52 2.933 -11.363 -2.124 1.00 41.04 H new ATOM 0 HH22 ARG A 52 1.238 -11.251 -2.607 1.00 41.04 H new ATOM 807 N VAL A 53 5.649 -3.336 -1.915 1.00 75.51 N ATOM 808 CA VAL A 53 6.576 -2.679 -2.866 1.00 42.13 C ATOM 809 C VAL A 53 8.038 -3.014 -2.470 1.00 24.51 C ATOM 810 O VAL A 53 8.617 -2.401 -1.566 1.00 60.42 O ATOM 811 CB VAL A 53 6.356 -1.119 -2.936 1.00 40.14 C ATOM 812 CG1 VAL A 53 7.349 -0.455 -3.922 1.00 31.31 C ATOM 813 CG2 VAL A 53 4.897 -0.780 -3.324 1.00 42.33 C ATOM 0 H VAL A 53 5.500 -2.810 -1.054 1.00 75.51 H new ATOM 0 HA VAL A 53 6.368 -3.065 -3.864 1.00 42.13 H new ATOM 0 HB VAL A 53 6.548 -0.716 -1.941 1.00 40.14 H new ATOM 0 HG11 VAL A 53 7.172 0.620 -3.948 1.00 31.31 H new ATOM 0 HG12 VAL A 53 8.371 -0.647 -3.594 1.00 31.31 H new ATOM 0 HG13 VAL A 53 7.204 -0.871 -4.919 1.00 31.31 H new ATOM 0 HG21 VAL A 53 4.773 0.302 -3.365 1.00 42.33 H new ATOM 0 HG22 VAL A 53 4.671 -1.208 -4.301 1.00 42.33 H new ATOM 0 HG23 VAL A 53 4.217 -1.195 -2.580 1.00 42.33 H new ATOM 823 N GLN A 54 8.602 -4.034 -3.132 1.00 35.34 N ATOM 824 CA GLN A 54 9.985 -4.499 -2.889 1.00 32.24 C ATOM 825 C GLN A 54 11.015 -3.476 -3.422 1.00 71.31 C ATOM 826 O GLN A 54 10.922 -3.054 -4.575 1.00 33.43 O ATOM 827 CB GLN A 54 10.184 -5.874 -3.571 1.00 2.41 C ATOM 828 CG GLN A 54 9.209 -6.960 -3.081 1.00 61.25 C ATOM 829 CD GLN A 54 9.330 -8.264 -3.860 1.00 22.33 C ATOM 830 OE1 GLN A 54 10.099 -9.145 -3.509 1.00 43.20 O ATOM 831 NE2 GLN A 54 8.579 -8.394 -4.932 1.00 2.14 N ATOM 0 H GLN A 54 8.115 -4.565 -3.854 1.00 35.34 H new ATOM 0 HA GLN A 54 10.144 -4.598 -1.815 1.00 32.24 H new ATOM 0 HB2 GLN A 54 10.068 -5.755 -4.648 1.00 2.41 H new ATOM 0 HB3 GLN A 54 11.206 -6.211 -3.396 1.00 2.41 H new ATOM 0 HG2 GLN A 54 9.393 -7.156 -2.025 1.00 61.25 H new ATOM 0 HG3 GLN A 54 8.188 -6.588 -3.163 1.00 61.25 H new ATOM 0 HE21 GLN A 54 7.944 -7.643 -5.204 1.00 2.14 H new ATOM 0 HE22 GLN A 54 8.631 -9.246 -5.491 1.00 2.14 H new ATOM 840 N GLY A 55 11.987 -3.089 -2.575 1.00 21.12 N ATOM 841 CA GLY A 55 13.002 -2.082 -2.944 1.00 72.34 C ATOM 842 C GLY A 55 12.453 -0.652 -2.936 1.00 14.22 C ATOM 843 O GLY A 55 12.759 0.155 -3.820 1.00 34.13 O ATOM 0 H GLY A 55 12.092 -3.458 -1.630 1.00 21.12 H new ATOM 0 HA2 GLY A 55 13.841 -2.148 -2.251 1.00 72.34 H new ATOM 0 HA3 GLY A 55 13.390 -2.311 -3.936 1.00 72.34 H new ATOM 847 N ALA A 56 11.623 -0.357 -1.933 1.00 12.21 N ATOM 848 CA ALA A 56 10.953 0.945 -1.770 1.00 33.13 C ATOM 849 C ALA A 56 11.891 2.015 -1.162 1.00 4.42 C ATOM 850 O ALA A 56 12.548 1.759 -0.153 1.00 14.52 O ATOM 851 CB ALA A 56 9.720 0.767 -0.874 1.00 42.45 C ATOM 0 H ALA A 56 11.391 -1.024 -1.197 1.00 12.21 H new ATOM 0 HA ALA A 56 10.659 1.297 -2.759 1.00 33.13 H new ATOM 0 HB1 ALA A 56 9.219 1.727 -0.749 1.00 42.45 H new ATOM 0 HB2 ALA A 56 9.034 0.057 -1.336 1.00 42.45 H new ATOM 0 HB3 ALA A 56 10.030 0.390 0.101 1.00 42.45 H new ATOM 857 N ARG A 57 11.925 3.213 -1.783 1.00 50.44 N ATOM 858 CA ARG A 57 12.617 4.397 -1.225 1.00 73.24 C ATOM 859 C ARG A 57 12.024 5.709 -1.811 1.00 61.04 C ATOM 860 O ARG A 57 11.115 6.308 -1.220 1.00 1.14 O ATOM 861 CB ARG A 57 14.156 4.325 -1.467 1.00 41.54 C ATOM 862 CG ARG A 57 14.956 5.470 -0.798 1.00 15.34 C ATOM 863 CD ARG A 57 16.475 5.400 -1.053 1.00 43.43 C ATOM 864 NE ARG A 57 16.822 5.574 -2.479 1.00 43.33 N ATOM 865 CZ ARG A 57 17.198 6.702 -3.051 1.00 52.01 C ATOM 866 NH1 ARG A 57 17.203 7.824 -2.399 1.00 52.51 N ATOM 867 NH2 ARG A 57 17.548 6.698 -4.293 1.00 11.53 N ATOM 0 H ARG A 57 11.476 3.388 -2.682 1.00 50.44 H new ATOM 0 HA ARG A 57 12.453 4.399 -0.147 1.00 73.24 H new ATOM 0 HB2 ARG A 57 14.527 3.371 -1.094 1.00 41.54 H new ATOM 0 HB3 ARG A 57 14.345 4.343 -2.540 1.00 41.54 H new ATOM 0 HG2 ARG A 57 14.579 6.425 -1.163 1.00 15.34 H new ATOM 0 HG3 ARG A 57 14.776 5.447 0.277 1.00 15.34 H new ATOM 0 HD2 ARG A 57 16.974 6.170 -0.465 1.00 43.43 H new ATOM 0 HD3 ARG A 57 16.854 4.439 -0.706 1.00 43.43 H new ATOM 0 HE ARG A 57 16.766 4.748 -3.075 1.00 43.33 H new ATOM 0 HH11 ARG A 57 16.912 7.847 -1.422 1.00 52.51 H new ATOM 0 HH12 ARG A 57 17.498 8.683 -2.864 1.00 52.51 H new ATOM 0 HH21 ARG A 57 17.533 5.828 -4.824 1.00 11.53 H new ATOM 0 HH22 ARG A 57 17.840 7.565 -4.743 1.00 11.53 H new ATOM 881 N SER A 58 12.517 6.111 -3.000 1.00 22.13 N ATOM 882 CA SER A 58 12.176 7.406 -3.634 1.00 61.44 C ATOM 883 C SER A 58 10.976 7.243 -4.584 1.00 44.45 C ATOM 884 O SER A 58 11.024 6.432 -5.515 1.00 22.43 O ATOM 885 CB SER A 58 13.396 7.958 -4.408 1.00 30.25 C ATOM 886 OG SER A 58 13.087 9.190 -5.048 1.00 41.51 O ATOM 0 H SER A 58 13.164 5.547 -3.551 1.00 22.13 H new ATOM 0 HA SER A 58 11.904 8.114 -2.851 1.00 61.44 H new ATOM 0 HB2 SER A 58 14.230 8.101 -3.722 1.00 30.25 H new ATOM 0 HB3 SER A 58 13.717 7.229 -5.152 1.00 30.25 H new ATOM 0 HG SER A 58 13.877 9.516 -5.528 1.00 41.51 H new ATOM 892 N GLY A 59 9.898 8.008 -4.328 1.00 41.10 N ATOM 893 CA GLY A 59 8.633 7.885 -5.079 1.00 62.14 C ATOM 894 C GLY A 59 7.663 6.882 -4.445 1.00 23.31 C ATOM 895 O GLY A 59 6.441 7.050 -4.523 1.00 4.52 O ATOM 0 H GLY A 59 9.878 8.723 -3.601 1.00 41.10 H new ATOM 0 HA2 GLY A 59 8.153 8.862 -5.136 1.00 62.14 H new ATOM 0 HA3 GLY A 59 8.851 7.577 -6.102 1.00 62.14 H new ATOM 899 N ASP A 60 8.224 5.839 -3.804 1.00 74.20 N ATOM 900 CA ASP A 60 7.457 4.779 -3.118 1.00 12.45 C ATOM 901 C ASP A 60 6.879 5.280 -1.771 1.00 53.00 C ATOM 902 O ASP A 60 5.837 4.804 -1.316 1.00 35.53 O ATOM 903 CB ASP A 60 8.366 3.558 -2.889 1.00 14.14 C ATOM 904 CG ASP A 60 9.078 3.123 -4.180 1.00 12.14 C ATOM 905 OD1 ASP A 60 8.445 2.463 -5.026 1.00 71.43 O ATOM 906 OD2 ASP A 60 10.267 3.460 -4.365 1.00 71.02 O ATOM 0 H ASP A 60 9.234 5.706 -3.747 1.00 74.20 H new ATOM 0 HA ASP A 60 6.616 4.496 -3.751 1.00 12.45 H new ATOM 0 HB2 ASP A 60 9.109 3.796 -2.127 1.00 14.14 H new ATOM 0 HB3 ASP A 60 7.771 2.729 -2.506 1.00 14.14 H new ATOM 911 N ALA A 61 7.569 6.240 -1.135 1.00 62.34 N ATOM 912 CA ALA A 61 7.055 6.937 0.056 1.00 25.32 C ATOM 913 C ALA A 61 5.938 7.910 -0.368 1.00 34.01 C ATOM 914 O ALA A 61 6.196 8.860 -1.109 1.00 24.32 O ATOM 915 CB ALA A 61 8.196 7.679 0.767 1.00 40.40 C ATOM 0 H ALA A 61 8.494 6.554 -1.429 1.00 62.34 H new ATOM 0 HA ALA A 61 6.640 6.213 0.757 1.00 25.32 H new ATOM 0 HB1 ALA A 61 7.805 8.191 1.646 1.00 40.40 H new ATOM 0 HB2 ALA A 61 8.960 6.964 1.073 1.00 40.40 H new ATOM 0 HB3 ALA A 61 8.634 8.409 0.087 1.00 40.40 H new ATOM 921 N GLY A 62 4.702 7.635 0.065 1.00 44.20 N ATOM 922 CA GLY A 62 3.543 8.428 -0.351 1.00 14.54 C ATOM 923 C GLY A 62 2.214 7.859 0.144 1.00 50.32 C ATOM 924 O GLY A 62 2.193 6.954 0.978 1.00 73.42 O ATOM 0 H GLY A 62 4.481 6.870 0.702 1.00 44.20 H new ATOM 0 HA2 GLY A 62 3.656 9.446 0.021 1.00 14.54 H new ATOM 0 HA3 GLY A 62 3.523 8.486 -1.439 1.00 14.54 H new ATOM 928 N GLU A 63 1.097 8.408 -0.360 1.00 41.21 N ATOM 929 CA GLU A 63 -0.258 8.007 0.065 1.00 34.03 C ATOM 930 C GLU A 63 -0.787 6.840 -0.793 1.00 74.40 C ATOM 931 O GLU A 63 -0.995 6.985 -2.003 1.00 4.13 O ATOM 932 CB GLU A 63 -1.264 9.191 0.001 1.00 64.54 C ATOM 933 CG GLU A 63 -0.923 10.416 0.884 1.00 12.21 C ATOM 934 CD GLU A 63 0.278 11.231 0.373 1.00 30.44 C ATOM 935 OE1 GLU A 63 0.149 11.891 -0.683 1.00 12.20 O ATOM 936 OE2 GLU A 63 1.358 11.214 1.007 1.00 24.22 O ATOM 0 H GLU A 63 1.105 9.140 -1.071 1.00 41.21 H new ATOM 0 HA GLU A 63 -0.174 7.683 1.102 1.00 34.03 H new ATOM 0 HB2 GLU A 63 -1.339 9.523 -1.034 1.00 64.54 H new ATOM 0 HB3 GLU A 63 -2.248 8.822 0.289 1.00 64.54 H new ATOM 0 HG2 GLU A 63 -1.795 11.067 0.940 1.00 12.21 H new ATOM 0 HG3 GLU A 63 -0.715 10.075 1.898 1.00 12.21 H new ATOM 943 N TYR A 64 -0.973 5.686 -0.151 1.00 11.33 N ATOM 944 CA TYR A 64 -1.633 4.509 -0.753 1.00 30.04 C ATOM 945 C TYR A 64 -3.119 4.477 -0.343 1.00 45.23 C ATOM 946 O TYR A 64 -3.491 5.028 0.683 1.00 64.21 O ATOM 947 CB TYR A 64 -0.914 3.212 -0.315 1.00 51.25 C ATOM 948 CG TYR A 64 0.523 3.091 -0.848 1.00 72.02 C ATOM 949 CD1 TYR A 64 1.565 3.845 -0.298 1.00 54.44 C ATOM 950 CD2 TYR A 64 0.832 2.236 -1.907 1.00 51.33 C ATOM 951 CE1 TYR A 64 2.853 3.744 -0.782 1.00 73.11 C ATOM 952 CE2 TYR A 64 2.118 2.138 -2.395 1.00 44.25 C ATOM 953 CZ TYR A 64 3.123 2.885 -1.833 1.00 73.13 C ATOM 954 OH TYR A 64 4.395 2.789 -2.351 1.00 31.22 O ATOM 0 H TYR A 64 -0.670 5.533 0.811 1.00 11.33 H new ATOM 0 HA TYR A 64 -1.574 4.581 -1.839 1.00 30.04 H new ATOM 0 HB2 TYR A 64 -0.893 3.169 0.774 1.00 51.25 H new ATOM 0 HB3 TYR A 64 -1.492 2.354 -0.657 1.00 51.25 H new ATOM 0 HD1 TYR A 64 1.357 4.518 0.520 1.00 54.44 H new ATOM 0 HD2 TYR A 64 0.049 1.640 -2.353 1.00 51.33 H new ATOM 0 HE1 TYR A 64 3.646 4.332 -0.343 1.00 73.11 H new ATOM 0 HE2 TYR A 64 2.334 1.474 -3.219 1.00 44.25 H new ATOM 0 HH TYR A 64 4.996 3.385 -1.856 1.00 31.22 H new ATOM 964 N LEU A 65 -3.965 3.848 -1.157 1.00 13.20 N ATOM 965 CA LEU A 65 -5.424 3.796 -0.909 1.00 21.21 C ATOM 966 C LEU A 65 -5.956 2.360 -1.079 1.00 41.34 C ATOM 967 O LEU A 65 -6.062 1.855 -2.200 1.00 25.11 O ATOM 968 CB LEU A 65 -6.148 4.789 -1.864 1.00 64.31 C ATOM 969 CG LEU A 65 -7.713 4.823 -1.805 1.00 42.12 C ATOM 970 CD1 LEU A 65 -8.230 5.207 -0.399 1.00 51.42 C ATOM 971 CD2 LEU A 65 -8.284 5.760 -2.897 1.00 45.13 C ATOM 0 H LEU A 65 -3.672 3.360 -2.004 1.00 13.20 H new ATOM 0 HA LEU A 65 -5.626 4.095 0.120 1.00 21.21 H new ATOM 0 HB2 LEU A 65 -5.780 5.793 -1.651 1.00 64.31 H new ATOM 0 HB3 LEU A 65 -5.853 4.551 -2.886 1.00 64.31 H new ATOM 0 HG LEU A 65 -8.072 3.814 -2.007 1.00 42.12 H new ATOM 0 HD11 LEU A 65 -9.320 5.219 -0.403 1.00 51.42 H new ATOM 0 HD12 LEU A 65 -7.877 4.477 0.330 1.00 51.42 H new ATOM 0 HD13 LEU A 65 -7.858 6.196 -0.132 1.00 51.42 H new ATOM 0 HD21 LEU A 65 -9.372 5.768 -2.837 1.00 45.13 H new ATOM 0 HD22 LEU A 65 -7.905 6.770 -2.744 1.00 45.13 H new ATOM 0 HD23 LEU A 65 -7.977 5.402 -3.880 1.00 45.13 H new ATOM 983 N CYS A 66 -6.256 1.689 0.052 1.00 11.34 N ATOM 984 CA CYS A 66 -6.977 0.401 0.034 1.00 51.15 C ATOM 985 C CYS A 66 -8.487 0.695 -0.073 1.00 10.52 C ATOM 986 O CYS A 66 -9.189 0.866 0.934 1.00 51.35 O ATOM 987 CB CYS A 66 -6.648 -0.434 1.291 1.00 13.40 C ATOM 988 SG CYS A 66 -7.378 -2.082 1.314 1.00 34.43 S ATOM 0 H CYS A 66 -6.011 2.017 0.986 1.00 11.34 H new ATOM 0 HA CYS A 66 -6.662 -0.192 -0.825 1.00 51.15 H new ATOM 0 HB2 CYS A 66 -5.565 -0.530 1.373 1.00 13.40 H new ATOM 0 HB3 CYS A 66 -6.988 0.111 2.172 1.00 13.40 H new ATOM 0 HG CYS A 66 -6.560 -2.927 0.760 1.00 34.43 H new ATOM 994 N ASP A 67 -8.948 0.817 -1.324 1.00 3.01 N ATOM 995 CA ASP A 67 -10.323 1.202 -1.663 1.00 4.02 C ATOM 996 C ASP A 67 -11.284 0.005 -1.508 1.00 64.12 C ATOM 997 O ASP A 67 -11.404 -0.838 -2.400 1.00 41.41 O ATOM 998 CB ASP A 67 -10.346 1.763 -3.105 1.00 51.33 C ATOM 999 CG ASP A 67 -11.693 2.390 -3.505 1.00 4.30 C ATOM 1000 OD1 ASP A 67 -11.898 3.593 -3.232 1.00 42.21 O ATOM 1001 OD2 ASP A 67 -12.551 1.687 -4.083 1.00 44.41 O ATOM 0 H ASP A 67 -8.365 0.648 -2.144 1.00 3.01 H new ATOM 0 HA ASP A 67 -10.666 1.976 -0.976 1.00 4.02 H new ATOM 0 HB2 ASP A 67 -9.562 2.514 -3.206 1.00 51.33 H new ATOM 0 HB3 ASP A 67 -10.109 0.959 -3.802 1.00 51.33 H new ATOM 1006 N ALA A 68 -11.927 -0.081 -0.343 1.00 13.03 N ATOM 1007 CA ALA A 68 -12.902 -1.141 -0.029 1.00 41.21 C ATOM 1008 C ALA A 68 -14.351 -0.613 -0.181 1.00 54.42 C ATOM 1009 O ALA A 68 -14.593 0.574 0.094 1.00 2.14 O ATOM 1010 CB ALA A 68 -12.632 -1.671 1.389 1.00 13.22 C ATOM 0 H ALA A 68 -11.789 0.584 0.418 1.00 13.03 H new ATOM 0 HA ALA A 68 -12.789 -1.965 -0.733 1.00 41.21 H new ATOM 0 HB1 ALA A 68 -13.350 -2.456 1.627 1.00 13.22 H new ATOM 0 HB2 ALA A 68 -11.622 -2.077 1.440 1.00 13.22 H new ATOM 0 HB3 ALA A 68 -12.733 -0.857 2.107 1.00 13.22 H new ATOM 1016 N PRO A 69 -15.330 -1.479 -0.638 1.00 61.50 N ATOM 1017 CA PRO A 69 -16.758 -1.078 -0.818 1.00 75.33 C ATOM 1018 C PRO A 69 -17.393 -0.481 0.469 1.00 73.20 C ATOM 1019 O PRO A 69 -17.576 -1.196 1.461 1.00 34.11 O ATOM 1020 CB PRO A 69 -17.462 -2.402 -1.235 1.00 20.51 C ATOM 1021 CG PRO A 69 -16.367 -3.237 -1.827 1.00 72.23 C ATOM 1022 CD PRO A 69 -15.123 -2.902 -1.034 1.00 43.33 C ATOM 0 HA PRO A 69 -16.861 -0.282 -1.555 1.00 75.33 H new ATOM 0 HB2 PRO A 69 -17.919 -2.896 -0.378 1.00 20.51 H new ATOM 0 HB3 PRO A 69 -18.257 -2.219 -1.958 1.00 20.51 H new ATOM 0 HG2 PRO A 69 -16.602 -4.299 -1.756 1.00 72.23 H new ATOM 0 HG3 PRO A 69 -16.230 -3.011 -2.884 1.00 72.23 H new ATOM 0 HD2 PRO A 69 -15.017 -3.549 -0.163 1.00 43.33 H new ATOM 0 HD3 PRO A 69 -14.221 -3.024 -1.633 1.00 43.33 H new ATOM 1030 N GLN A 70 -17.690 0.840 0.425 1.00 44.02 N ATOM 1031 CA GLN A 70 -18.274 1.611 1.556 1.00 11.31 C ATOM 1032 C GLN A 70 -17.349 1.616 2.809 1.00 33.04 C ATOM 1033 O GLN A 70 -17.820 1.645 3.956 1.00 20.45 O ATOM 1034 CB GLN A 70 -19.711 1.092 1.889 1.00 50.21 C ATOM 1035 CG GLN A 70 -20.730 1.221 0.730 1.00 31.34 C ATOM 1036 CD GLN A 70 -21.033 2.673 0.313 1.00 20.12 C ATOM 1037 OE1 GLN A 70 -20.996 3.591 1.126 1.00 52.14 O ATOM 1038 NE2 GLN A 70 -21.336 2.892 -0.956 1.00 44.43 N ATOM 0 H GLN A 70 -17.530 1.410 -0.406 1.00 44.02 H new ATOM 0 HA GLN A 70 -18.357 2.651 1.240 1.00 11.31 H new ATOM 0 HB2 GLN A 70 -19.645 0.044 2.182 1.00 50.21 H new ATOM 0 HB3 GLN A 70 -20.090 1.641 2.751 1.00 50.21 H new ATOM 0 HG2 GLN A 70 -20.349 0.678 -0.135 1.00 31.34 H new ATOM 0 HG3 GLN A 70 -21.661 0.738 1.025 1.00 31.34 H new ATOM 0 HE21 GLN A 70 -21.361 2.115 -1.616 1.00 44.43 H new ATOM 0 HE22 GLN A 70 -21.544 3.838 -1.275 1.00 44.43 H new ATOM 1047 N ASP A 71 -16.022 1.640 2.563 1.00 34.32 N ATOM 1048 CA ASP A 71 -14.989 1.655 3.628 1.00 53.01 C ATOM 1049 C ASP A 71 -13.821 2.606 3.216 1.00 3.42 C ATOM 1050 O ASP A 71 -13.812 3.772 3.627 1.00 34.41 O ATOM 1051 CB ASP A 71 -14.516 0.197 3.898 1.00 20.53 C ATOM 1052 CG ASP A 71 -13.502 0.052 5.046 1.00 31.44 C ATOM 1053 OD1 ASP A 71 -12.304 0.321 4.834 1.00 11.53 O ATOM 1054 OD2 ASP A 71 -13.900 -0.336 6.166 1.00 70.14 O ATOM 0 H ASP A 71 -15.633 1.650 1.620 1.00 34.32 H new ATOM 0 HA ASP A 71 -15.399 2.045 4.560 1.00 53.01 H new ATOM 0 HB2 ASP A 71 -15.388 -0.418 4.122 1.00 20.53 H new ATOM 0 HB3 ASP A 71 -14.071 -0.201 2.986 1.00 20.53 H new ATOM 1059 N SER A 72 -12.864 2.089 2.393 1.00 22.53 N ATOM 1060 CA SER A 72 -11.739 2.868 1.784 1.00 65.40 C ATOM 1061 C SER A 72 -10.827 3.609 2.812 1.00 64.32 C ATOM 1062 O SER A 72 -11.197 4.667 3.332 1.00 65.14 O ATOM 1063 CB SER A 72 -12.273 3.860 0.717 1.00 1.03 C ATOM 1064 OG SER A 72 -12.938 3.175 -0.335 1.00 74.43 O ATOM 0 H SER A 72 -12.850 1.104 2.128 1.00 22.53 H new ATOM 0 HA SER A 72 -11.098 2.124 1.311 1.00 65.40 H new ATOM 0 HB2 SER A 72 -12.959 4.567 1.185 1.00 1.03 H new ATOM 0 HB3 SER A 72 -11.445 4.441 0.310 1.00 1.03 H new ATOM 0 HG SER A 72 -12.512 3.396 -1.190 1.00 74.43 H new ATOM 1070 N ARG A 73 -9.617 3.062 3.078 1.00 61.12 N ATOM 1071 CA ARG A 73 -8.626 3.682 4.006 1.00 32.14 C ATOM 1072 C ARG A 73 -7.428 4.301 3.240 1.00 4.41 C ATOM 1073 O ARG A 73 -6.891 3.696 2.304 1.00 74.42 O ATOM 1074 CB ARG A 73 -8.128 2.641 5.078 1.00 71.33 C ATOM 1075 CG ARG A 73 -8.844 2.741 6.453 1.00 0.23 C ATOM 1076 CD ARG A 73 -10.363 2.533 6.372 1.00 63.55 C ATOM 1077 NE ARG A 73 -11.045 2.858 7.640 1.00 74.03 N ATOM 1078 CZ ARG A 73 -12.348 2.971 7.793 1.00 75.14 C ATOM 1079 NH1 ARG A 73 -13.162 2.723 6.814 1.00 30.51 N ATOM 1080 NH2 ARG A 73 -12.830 3.328 8.937 1.00 24.43 N ATOM 0 H ARG A 73 -9.297 2.187 2.663 1.00 61.12 H new ATOM 0 HA ARG A 73 -9.135 4.493 4.527 1.00 32.14 H new ATOM 0 HB2 ARG A 73 -8.268 1.635 4.682 1.00 71.33 H new ATOM 0 HB3 ARG A 73 -7.057 2.778 5.229 1.00 71.33 H new ATOM 0 HG2 ARG A 73 -8.420 1.999 7.129 1.00 0.23 H new ATOM 0 HG3 ARG A 73 -8.642 3.720 6.888 1.00 0.23 H new ATOM 0 HD2 ARG A 73 -10.770 3.155 5.574 1.00 63.55 H new ATOM 0 HD3 ARG A 73 -10.571 1.497 6.106 1.00 63.55 H new ATOM 0 HE ARG A 73 -10.461 3.007 8.463 1.00 74.03 H new ATOM 0 HH11 ARG A 73 -12.796 2.435 5.907 1.00 30.51 H new ATOM 0 HH12 ARG A 73 -14.168 2.816 6.952 1.00 30.51 H new ATOM 0 HH21 ARG A 73 -12.202 3.521 9.717 1.00 24.43 H new ATOM 0 HH22 ARG A 73 -13.839 3.417 9.060 1.00 24.43 H new ATOM 1094 N ILE A 74 -7.038 5.527 3.652 1.00 21.52 N ATOM 1095 CA ILE A 74 -5.834 6.227 3.151 1.00 51.14 C ATOM 1096 C ILE A 74 -4.620 5.864 4.050 1.00 40.13 C ATOM 1097 O ILE A 74 -4.737 5.781 5.275 1.00 54.21 O ATOM 1098 CB ILE A 74 -6.029 7.808 3.092 1.00 23.42 C ATOM 1099 CG1 ILE A 74 -7.120 8.235 2.037 1.00 12.03 C ATOM 1100 CG2 ILE A 74 -4.685 8.544 2.804 1.00 1.24 C ATOM 1101 CD1 ILE A 74 -8.560 7.889 2.391 1.00 33.32 C ATOM 0 H ILE A 74 -7.555 6.064 4.348 1.00 21.52 H new ATOM 0 HA ILE A 74 -5.655 5.896 2.128 1.00 51.14 H new ATOM 0 HB ILE A 74 -6.382 8.109 4.078 1.00 23.42 H new ATOM 0 HG12 ILE A 74 -7.052 9.313 1.889 1.00 12.03 H new ATOM 0 HG13 ILE A 74 -6.878 7.766 1.083 1.00 12.03 H new ATOM 0 HG21 ILE A 74 -4.859 9.620 2.771 1.00 1.24 H new ATOM 0 HG22 ILE A 74 -3.969 8.316 3.593 1.00 1.24 H new ATOM 0 HG23 ILE A 74 -4.286 8.212 1.846 1.00 1.24 H new ATOM 0 HD11 ILE A 74 -9.222 8.229 1.595 1.00 33.32 H new ATOM 0 HD12 ILE A 74 -8.657 6.810 2.507 1.00 33.32 H new ATOM 0 HD13 ILE A 74 -8.833 8.380 3.325 1.00 33.32 H new ATOM 1113 N PHE A 75 -3.468 5.641 3.413 1.00 60.35 N ATOM 1114 CA PHE A 75 -2.232 5.180 4.061 1.00 4.20 C ATOM 1115 C PHE A 75 -1.154 6.260 3.935 1.00 74.35 C ATOM 1116 O PHE A 75 -0.590 6.442 2.853 1.00 22.21 O ATOM 1117 CB PHE A 75 -1.725 3.866 3.390 1.00 73.44 C ATOM 1118 CG PHE A 75 -2.595 2.643 3.631 1.00 41.31 C ATOM 1119 CD1 PHE A 75 -3.921 2.617 3.215 1.00 73.31 C ATOM 1120 CD2 PHE A 75 -2.095 1.534 4.300 1.00 70.10 C ATOM 1121 CE1 PHE A 75 -4.715 1.529 3.458 1.00 34.43 C ATOM 1122 CE2 PHE A 75 -2.892 0.448 4.541 1.00 21.30 C ATOM 1123 CZ PHE A 75 -4.205 0.449 4.122 1.00 54.31 C ATOM 0 H PHE A 75 -3.364 5.779 2.408 1.00 60.35 H new ATOM 0 HA PHE A 75 -2.440 4.985 5.113 1.00 4.20 H new ATOM 0 HB2 PHE A 75 -1.647 4.031 2.315 1.00 73.44 H new ATOM 0 HB3 PHE A 75 -0.719 3.655 3.754 1.00 73.44 H new ATOM 0 HD1 PHE A 75 -4.331 3.468 2.692 1.00 73.31 H new ATOM 0 HD2 PHE A 75 -1.068 1.528 4.633 1.00 70.10 H new ATOM 0 HE1 PHE A 75 -5.743 1.524 3.126 1.00 34.43 H new ATOM 0 HE2 PHE A 75 -2.492 -0.410 5.060 1.00 21.30 H new ATOM 0 HZ PHE A 75 -4.833 -0.407 4.319 1.00 54.31 H new ATOM 1133 N LEU A 76 -0.881 6.994 5.028 1.00 10.22 N ATOM 1134 CA LEU A 76 0.261 7.921 5.060 1.00 21.40 C ATOM 1135 C LEU A 76 1.542 7.090 5.290 1.00 4.04 C ATOM 1136 O LEU A 76 1.913 6.781 6.429 1.00 72.30 O ATOM 1137 CB LEU A 76 0.060 9.001 6.161 1.00 31.21 C ATOM 1138 CG LEU A 76 -1.268 9.826 6.069 1.00 71.54 C ATOM 1139 CD1 LEU A 76 -1.397 10.825 7.242 1.00 52.42 C ATOM 1140 CD2 LEU A 76 -1.399 10.543 4.701 1.00 33.02 C ATOM 0 H LEU A 76 -1.427 6.964 5.889 1.00 10.22 H new ATOM 0 HA LEU A 76 0.347 8.457 4.115 1.00 21.40 H new ATOM 0 HB2 LEU A 76 0.096 8.512 7.134 1.00 31.21 H new ATOM 0 HB3 LEU A 76 0.900 9.694 6.122 1.00 31.21 H new ATOM 0 HG LEU A 76 -2.094 9.119 6.148 1.00 71.54 H new ATOM 0 HD11 LEU A 76 -2.330 11.380 7.146 1.00 52.42 H new ATOM 0 HD12 LEU A 76 -1.394 10.280 8.186 1.00 52.42 H new ATOM 0 HD13 LEU A 76 -0.558 11.520 7.222 1.00 52.42 H new ATOM 0 HD21 LEU A 76 -2.332 11.106 4.673 1.00 33.02 H new ATOM 0 HD22 LEU A 76 -0.560 11.225 4.566 1.00 33.02 H new ATOM 0 HD23 LEU A 76 -1.397 9.803 3.901 1.00 33.02 H new ATOM 1152 N VAL A 77 2.168 6.679 4.176 1.00 31.43 N ATOM 1153 CA VAL A 77 3.344 5.792 4.183 1.00 62.21 C ATOM 1154 C VAL A 77 4.642 6.601 4.019 1.00 25.21 C ATOM 1155 O VAL A 77 4.842 7.287 3.007 1.00 3.43 O ATOM 1156 CB VAL A 77 3.239 4.698 3.059 1.00 72.30 C ATOM 1157 CG1 VAL A 77 4.525 3.842 2.967 1.00 51.20 C ATOM 1158 CG2 VAL A 77 1.990 3.807 3.279 1.00 23.00 C ATOM 0 H VAL A 77 1.872 6.954 3.240 1.00 31.43 H new ATOM 0 HA VAL A 77 3.369 5.287 5.149 1.00 62.21 H new ATOM 0 HB VAL A 77 3.129 5.215 2.106 1.00 72.30 H new ATOM 0 HG11 VAL A 77 4.411 3.098 2.178 1.00 51.20 H new ATOM 0 HG12 VAL A 77 5.375 4.485 2.739 1.00 51.20 H new ATOM 0 HG13 VAL A 77 4.696 3.339 3.919 1.00 51.20 H new ATOM 0 HG21 VAL A 77 1.935 3.056 2.491 1.00 23.00 H new ATOM 0 HG22 VAL A 77 2.062 3.312 4.247 1.00 23.00 H new ATOM 0 HG23 VAL A 77 1.093 4.426 3.254 1.00 23.00 H new ATOM 1168 N SER A 78 5.517 6.501 5.026 1.00 72.31 N ATOM 1169 CA SER A 78 6.830 7.169 5.041 1.00 50.03 C ATOM 1170 C SER A 78 7.957 6.120 4.971 1.00 71.22 C ATOM 1171 O SER A 78 8.184 5.371 5.920 1.00 72.04 O ATOM 1172 CB SER A 78 6.953 8.037 6.322 1.00 24.02 C ATOM 1173 OG SER A 78 6.733 7.281 7.508 1.00 74.01 O ATOM 0 H SER A 78 5.335 5.949 5.864 1.00 72.31 H new ATOM 0 HA SER A 78 6.921 7.819 4.171 1.00 50.03 H new ATOM 0 HB2 SER A 78 7.945 8.488 6.359 1.00 24.02 H new ATOM 0 HB3 SER A 78 6.233 8.854 6.275 1.00 24.02 H new ATOM 0 HG SER A 78 7.156 6.401 7.418 1.00 74.01 H new ATOM 1179 N VAL A 79 8.640 6.035 3.815 1.00 4.45 N ATOM 1180 CA VAL A 79 9.850 5.199 3.682 1.00 54.12 C ATOM 1181 C VAL A 79 11.088 6.097 3.908 1.00 43.31 C ATOM 1182 O VAL A 79 11.486 6.870 3.028 1.00 23.42 O ATOM 1183 CB VAL A 79 9.941 4.487 2.282 1.00 24.51 C ATOM 1184 CG1 VAL A 79 11.176 3.555 2.221 1.00 54.23 C ATOM 1185 CG2 VAL A 79 8.634 3.715 1.949 1.00 50.33 C ATOM 0 H VAL A 79 8.378 6.531 2.963 1.00 4.45 H new ATOM 0 HA VAL A 79 9.805 4.406 4.428 1.00 54.12 H new ATOM 0 HB VAL A 79 10.062 5.259 1.522 1.00 24.51 H new ATOM 0 HG11 VAL A 79 11.220 3.073 1.245 1.00 54.23 H new ATOM 0 HG12 VAL A 79 12.082 4.141 2.378 1.00 54.23 H new ATOM 0 HG13 VAL A 79 11.097 2.795 2.998 1.00 54.23 H new ATOM 0 HG21 VAL A 79 8.733 3.236 0.975 1.00 50.33 H new ATOM 0 HG22 VAL A 79 8.456 2.956 2.711 1.00 50.33 H new ATOM 0 HG23 VAL A 79 7.796 4.411 1.927 1.00 50.33 H new ATOM 1195 N GLU A 80 11.684 5.956 5.094 1.00 55.43 N ATOM 1196 CA GLU A 80 12.751 6.839 5.604 1.00 61.34 C ATOM 1197 C GLU A 80 13.287 6.260 6.935 1.00 43.33 C ATOM 1198 O GLU A 80 13.019 5.090 7.244 1.00 13.25 O ATOM 1199 CB GLU A 80 12.210 8.288 5.794 1.00 65.35 C ATOM 1200 CG GLU A 80 11.002 8.401 6.750 1.00 73.22 C ATOM 1201 CD GLU A 80 10.484 9.839 6.890 1.00 63.43 C ATOM 1202 OE1 GLU A 80 10.966 10.574 7.775 1.00 63.50 O ATOM 1203 OE2 GLU A 80 9.599 10.243 6.105 1.00 73.24 O ATOM 0 H GLU A 80 11.438 5.211 5.745 1.00 55.43 H new ATOM 0 HA GLU A 80 13.569 6.887 4.885 1.00 61.34 H new ATOM 0 HB2 GLU A 80 13.016 8.917 6.172 1.00 65.35 H new ATOM 0 HB3 GLU A 80 11.925 8.686 4.820 1.00 65.35 H new ATOM 0 HG2 GLU A 80 10.196 7.764 6.386 1.00 73.22 H new ATOM 0 HG3 GLU A 80 11.286 8.025 7.733 1.00 73.22 H new ATOM 1210 N GLU A 81 14.048 7.075 7.704 1.00 11.25 N ATOM 1211 CA GLU A 81 14.684 6.649 8.976 1.00 31.00 C ATOM 1212 C GLU A 81 15.743 5.542 8.682 1.00 0.34 C ATOM 1213 O GLU A 81 15.421 4.347 8.747 1.00 14.35 O ATOM 1214 CB GLU A 81 13.612 6.184 10.027 1.00 50.41 C ATOM 1215 CG GLU A 81 14.143 5.960 11.459 1.00 23.22 C ATOM 1216 CD GLU A 81 14.575 7.267 12.140 1.00 21.14 C ATOM 1217 OE1 GLU A 81 13.686 8.030 12.588 1.00 12.12 O ATOM 1218 OE2 GLU A 81 15.792 7.552 12.214 1.00 41.54 O ATOM 0 H GLU A 81 14.239 8.047 7.461 1.00 11.25 H new ATOM 0 HA GLU A 81 15.196 7.501 9.423 1.00 31.00 H new ATOM 0 HB2 GLU A 81 12.818 6.929 10.065 1.00 50.41 H new ATOM 0 HB3 GLU A 81 13.162 5.256 9.675 1.00 50.41 H new ATOM 0 HG2 GLU A 81 13.369 5.481 12.059 1.00 23.22 H new ATOM 0 HG3 GLU A 81 14.990 5.275 11.425 1.00 23.22 H new ATOM 1225 N PRO A 82 17.002 5.931 8.260 1.00 70.22 N ATOM 1226 CA PRO A 82 18.043 4.969 7.782 1.00 42.04 C ATOM 1227 C PRO A 82 18.502 3.935 8.866 1.00 71.11 C ATOM 1228 O PRO A 82 18.053 2.766 8.821 1.00 38.03 O ATOM 1229 CB PRO A 82 19.215 5.897 7.320 1.00 54.24 C ATOM 1230 CG PRO A 82 18.585 7.246 7.141 1.00 61.42 C ATOM 1231 CD PRO A 82 17.507 7.328 8.200 1.00 4.42 C ATOM 1232 OXT PRO A 82 19.302 4.299 9.761 1.00 38.03 O ATOM 0 HA PRO A 82 17.659 4.329 6.987 1.00 42.04 H new ATOM 0 HB2 PRO A 82 20.012 5.928 8.063 1.00 54.24 H new ATOM 0 HB3 PRO A 82 19.659 5.541 6.390 1.00 54.24 H new ATOM 0 HG2 PRO A 82 19.319 8.042 7.265 1.00 61.42 H new ATOM 0 HG3 PRO A 82 18.163 7.354 6.142 1.00 61.42 H new ATOM 0 HD2 PRO A 82 17.906 7.656 9.160 1.00 4.42 H new ATOM 0 HD3 PRO A 82 16.721 8.031 7.924 1.00 4.42 H new