USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=14 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 Single : A 1 MET CE :methyl 170:sc= 0 (180deg=-0.116) USER MOD Single : A 1 MET N :NH3+ 137:sc= 0.0428 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 40:sc= 1.18 USER MOD Single : A 6 SER OG : rot 180:sc= -0.126 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) 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 29 LYS NZ :NH3+ -136:sc= 1.1 (180deg=0.245) USER MOD Single : A 36 SER OG : rot 47:sc= 0.167 USER MOD Single : A 37 GLN : amide:sc= -0.137 K(o=-0.14,f=-1.6!) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= -1.9! C(o=-1.9!,f=-4.1!) USER MOD Single : A 49 GLN : amide:sc= -4.18! C(o=-4.2!,f=-9.7!) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot -17:sc= 1.26 USER MOD Single : A 66 CYS SG : rot 110:sc= -4.44! USER MOD Single : A 70 GLN : amide:sc=-0.00712 X(o=-0.0071,f=-0.37) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 121:sc= 0.357 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.556 6.853 10.732 1.00 42.44 N ATOM 2 CA MET A 1 -6.147 6.501 9.348 1.00 25.22 C ATOM 3 C MET A 1 -4.882 5.611 9.391 1.00 22.13 C ATOM 4 O MET A 1 -4.027 5.805 10.262 1.00 11.35 O ATOM 5 CB MET A 1 -5.912 7.803 8.533 1.00 44.23 C ATOM 6 CG MET A 1 -5.816 7.583 7.025 1.00 54.44 C ATOM 7 SD MET A 1 -7.290 6.774 6.349 1.00 4.11 S ATOM 8 CE MET A 1 -8.548 8.037 6.575 1.00 13.24 C ATOM 0 H1 MET A 1 -6.819 7.859 10.771 1.00 42.44 H new ATOM 0 H2 MET A 1 -7.371 6.271 11.012 1.00 42.44 H new ATOM 0 H3 MET A 1 -5.765 6.676 11.383 1.00 42.44 H new ATOM 0 HA MET A 1 -6.935 5.933 8.854 1.00 25.22 H new ATOM 0 HB2 MET A 1 -6.726 8.499 8.737 1.00 44.23 H new ATOM 0 HB3 MET A 1 -4.993 8.276 8.880 1.00 44.23 H new ATOM 0 HG2 MET A 1 -5.672 8.543 6.529 1.00 54.44 H new ATOM 0 HG3 MET A 1 -4.938 6.976 6.804 1.00 54.44 H new ATOM 0 HE1 MET A 1 -9.455 7.745 6.046 1.00 13.24 H new ATOM 0 HE2 MET A 1 -8.766 8.147 7.637 1.00 13.24 H new ATOM 0 HE3 MET A 1 -8.186 8.986 6.179 1.00 13.24 H new ATOM 18 N THR A 2 -4.784 4.623 8.471 1.00 54.31 N ATOM 19 CA THR A 2 -3.613 3.705 8.380 1.00 52.43 C ATOM 20 C THR A 2 -2.313 4.493 8.053 1.00 20.42 C ATOM 21 O THR A 2 -2.285 5.295 7.122 1.00 2.33 O ATOM 22 CB THR A 2 -3.848 2.566 7.308 1.00 50.15 C ATOM 23 OG1 THR A 2 -4.673 3.041 6.238 1.00 12.44 O ATOM 24 CG2 THR A 2 -4.473 1.288 7.893 1.00 43.15 C ATOM 0 H THR A 2 -5.505 4.437 7.774 1.00 54.31 H new ATOM 0 HA THR A 2 -3.497 3.231 9.355 1.00 52.43 H new ATOM 0 HB THR A 2 -2.857 2.303 6.938 1.00 50.15 H new ATOM 0 HG1 THR A 2 -4.420 3.961 6.014 1.00 12.44 H new ATOM 0 HG21 THR A 2 -4.605 0.552 7.100 1.00 43.15 H new ATOM 0 HG22 THR A 2 -3.816 0.880 8.661 1.00 43.15 H new ATOM 0 HG23 THR A 2 -5.442 1.525 8.333 1.00 43.15 H new ATOM 32 N ARG A 3 -1.261 4.298 8.871 1.00 64.14 N ATOM 33 CA ARG A 3 0.050 4.981 8.709 1.00 3.13 C ATOM 34 C ARG A 3 1.199 3.979 8.944 1.00 11.20 C ATOM 35 O ARG A 3 1.242 3.313 9.985 1.00 71.15 O ATOM 36 CB ARG A 3 0.175 6.166 9.705 1.00 15.42 C ATOM 37 CG ARG A 3 -0.893 7.272 9.542 1.00 24.42 C ATOM 38 CD ARG A 3 -0.677 8.450 10.500 1.00 1.12 C ATOM 39 NE ARG A 3 -0.747 8.042 11.916 1.00 74.05 N ATOM 40 CZ ARG A 3 -0.324 8.757 12.937 1.00 41.21 C ATOM 41 NH1 ARG A 3 0.278 9.893 12.767 1.00 60.33 N ATOM 42 NH2 ARG A 3 -0.487 8.313 14.138 1.00 72.34 N ATOM 0 H ARG A 3 -1.290 3.661 9.667 1.00 64.14 H new ATOM 0 HA ARG A 3 0.113 5.370 7.693 1.00 3.13 H new ATOM 0 HB2 ARG A 3 0.119 5.775 10.721 1.00 15.42 H new ATOM 0 HB3 ARG A 3 1.162 6.615 9.590 1.00 15.42 H new ATOM 0 HG2 ARG A 3 -0.878 7.637 8.515 1.00 24.42 H new ATOM 0 HG3 ARG A 3 -1.881 6.845 9.714 1.00 24.42 H new ATOM 0 HD2 ARG A 3 0.295 8.902 10.302 1.00 1.12 H new ATOM 0 HD3 ARG A 3 -1.430 9.215 10.307 1.00 1.12 H new ATOM 0 HE ARG A 3 -1.157 7.131 12.121 1.00 74.05 H new ATOM 0 HH11 ARG A 3 0.433 10.252 11.825 1.00 60.33 H new ATOM 0 HH12 ARG A 3 0.596 10.428 13.575 1.00 60.33 H new ATOM 0 HH21 ARG A 3 -0.941 7.413 14.292 1.00 72.34 H new ATOM 0 HH22 ARG A 3 -0.161 8.862 14.933 1.00 72.34 H new ATOM 56 N VAL A 4 2.132 3.881 7.985 1.00 62.13 N ATOM 57 CA VAL A 4 3.238 2.891 8.024 1.00 32.34 C ATOM 58 C VAL A 4 4.620 3.563 7.819 1.00 11.12 C ATOM 59 O VAL A 4 4.819 4.358 6.894 1.00 0.43 O ATOM 60 CB VAL A 4 3.008 1.744 6.958 1.00 44.14 C ATOM 61 CG1 VAL A 4 4.276 0.862 6.751 1.00 65.41 C ATOM 62 CG2 VAL A 4 1.788 0.860 7.348 1.00 34.14 C ATOM 0 H VAL A 4 2.148 4.480 7.160 1.00 62.13 H new ATOM 0 HA VAL A 4 3.237 2.443 9.018 1.00 32.34 H new ATOM 0 HB VAL A 4 2.798 2.235 6.008 1.00 44.14 H new ATOM 0 HG11 VAL A 4 4.066 0.090 6.010 1.00 65.41 H new ATOM 0 HG12 VAL A 4 5.100 1.485 6.402 1.00 65.41 H new ATOM 0 HG13 VAL A 4 4.551 0.393 7.696 1.00 65.41 H new ATOM 0 HG21 VAL A 4 1.651 0.079 6.600 1.00 34.14 H new ATOM 0 HG22 VAL A 4 1.966 0.403 8.321 1.00 34.14 H new ATOM 0 HG23 VAL A 4 0.891 1.478 7.396 1.00 34.14 H new ATOM 72 N ARG A 5 5.562 3.218 8.711 1.00 14.13 N ATOM 73 CA ARG A 5 6.980 3.618 8.635 1.00 11.01 C ATOM 74 C ARG A 5 7.787 2.563 7.842 1.00 74.52 C ATOM 75 O ARG A 5 7.566 1.357 8.006 1.00 33.12 O ATOM 76 CB ARG A 5 7.538 3.755 10.078 1.00 10.25 C ATOM 77 CG ARG A 5 9.021 4.194 10.182 1.00 71.33 C ATOM 78 CD ARG A 5 9.465 4.379 11.649 1.00 63.33 C ATOM 79 NE ARG A 5 10.842 4.900 11.777 1.00 63.32 N ATOM 80 CZ ARG A 5 11.184 6.170 11.701 1.00 51.42 C ATOM 81 NH1 ARG A 5 10.328 7.084 11.358 1.00 3.33 N ATOM 82 NH2 ARG A 5 12.398 6.512 11.950 1.00 23.11 N ATOM 0 H ARG A 5 5.356 2.639 9.525 1.00 14.13 H new ATOM 0 HA ARG A 5 7.069 4.573 8.118 1.00 11.01 H new ATOM 0 HB2 ARG A 5 6.925 4.476 10.619 1.00 10.25 H new ATOM 0 HB3 ARG A 5 7.425 2.797 10.585 1.00 10.25 H new ATOM 0 HG2 ARG A 5 9.655 3.448 9.702 1.00 71.33 H new ATOM 0 HG3 ARG A 5 9.162 5.129 9.639 1.00 71.33 H new ATOM 0 HD2 ARG A 5 8.777 5.062 12.147 1.00 63.33 H new ATOM 0 HD3 ARG A 5 9.395 3.422 12.167 1.00 63.33 H new ATOM 0 HE ARG A 5 11.587 4.222 11.937 1.00 63.32 H new ATOM 0 HH11 ARG A 5 9.366 6.825 11.140 1.00 3.33 H new ATOM 0 HH12 ARG A 5 10.618 8.061 11.307 1.00 3.33 H new ATOM 0 HH21 ARG A 5 13.086 5.803 12.204 1.00 23.11 H new ATOM 0 HH22 ARG A 5 12.673 7.493 11.894 1.00 23.11 H new ATOM 96 N SER A 6 8.725 3.016 6.991 1.00 74.25 N ATOM 97 CA SER A 6 9.594 2.116 6.184 1.00 42.14 C ATOM 98 C SER A 6 11.049 2.628 6.178 1.00 60.23 C ATOM 99 O SER A 6 11.334 3.720 6.679 1.00 51.23 O ATOM 100 CB SER A 6 9.042 2.005 4.739 1.00 61.14 C ATOM 101 OG SER A 6 9.797 1.096 3.949 1.00 65.11 O ATOM 0 H SER A 6 8.908 4.008 6.838 1.00 74.25 H new ATOM 0 HA SER A 6 9.590 1.124 6.635 1.00 42.14 H new ATOM 0 HB2 SER A 6 8.002 1.680 4.772 1.00 61.14 H new ATOM 0 HB3 SER A 6 9.053 2.989 4.270 1.00 61.14 H new ATOM 0 HG SER A 6 9.417 1.053 3.047 1.00 65.11 H new ATOM 107 N THR A 7 11.966 1.815 5.623 1.00 5.11 N ATOM 108 CA THR A 7 13.400 2.171 5.463 1.00 34.30 C ATOM 109 C THR A 7 13.887 1.895 4.024 1.00 54.41 C ATOM 110 O THR A 7 13.404 0.960 3.368 1.00 74.13 O ATOM 111 CB THR A 7 14.333 1.408 6.479 1.00 71.20 C ATOM 112 OG1 THR A 7 13.987 0.020 6.554 1.00 12.01 O ATOM 113 CG2 THR A 7 14.281 2.037 7.869 1.00 13.34 C ATOM 0 H THR A 7 11.738 0.886 5.269 1.00 5.11 H new ATOM 0 HA THR A 7 13.468 3.238 5.676 1.00 34.30 H new ATOM 0 HB THR A 7 15.353 1.494 6.105 1.00 71.20 H new ATOM 0 HG1 THR A 7 14.581 -0.431 7.189 1.00 12.01 H new ATOM 0 HG21 THR A 7 14.936 1.485 8.543 1.00 13.34 H new ATOM 0 HG22 THR A 7 14.610 3.074 7.811 1.00 13.34 H new ATOM 0 HG23 THR A 7 13.259 2.001 8.247 1.00 13.34 H new ATOM 121 N PRO A 8 14.863 2.711 3.511 1.00 25.54 N ATOM 122 CA PRO A 8 15.420 2.532 2.151 1.00 75.01 C ATOM 123 C PRO A 8 16.364 1.298 2.047 1.00 1.44 C ATOM 124 O PRO A 8 17.078 0.958 3.002 1.00 35.23 O ATOM 125 CB PRO A 8 16.171 3.869 1.924 1.00 62.22 C ATOM 126 CG PRO A 8 16.637 4.262 3.287 1.00 71.43 C ATOM 127 CD PRO A 8 15.499 3.878 4.208 1.00 73.51 C ATOM 0 HA PRO A 8 14.658 2.328 1.399 1.00 75.01 H new ATOM 0 HB2 PRO A 8 17.008 3.744 1.237 1.00 62.22 H new ATOM 0 HB3 PRO A 8 15.516 4.626 1.493 1.00 62.22 H new ATOM 0 HG2 PRO A 8 17.557 3.742 3.556 1.00 71.43 H new ATOM 0 HG3 PRO A 8 16.847 5.330 3.341 1.00 71.43 H new ATOM 0 HD2 PRO A 8 15.860 3.605 5.200 1.00 73.51 H new ATOM 0 HD3 PRO A 8 14.795 4.699 4.340 1.00 73.51 H new ATOM 135 N GLY A 9 16.348 0.639 0.874 1.00 3.44 N ATOM 136 CA GLY A 9 17.169 -0.561 0.619 1.00 33.42 C ATOM 137 C GLY A 9 16.504 -1.875 1.055 1.00 4.45 C ATOM 138 O GLY A 9 17.180 -2.790 1.538 1.00 30.13 O ATOM 0 H GLY A 9 15.771 0.920 0.081 1.00 3.44 H new ATOM 0 HA2 GLY A 9 17.394 -0.615 -0.446 1.00 33.42 H new ATOM 0 HA3 GLY A 9 18.120 -0.456 1.141 1.00 33.42 H new ATOM 142 N GLY A 10 15.172 -1.969 0.867 1.00 24.10 N ATOM 143 CA GLY A 10 14.412 -3.185 1.213 1.00 54.34 C ATOM 144 C GLY A 10 13.062 -3.261 0.496 1.00 61.41 C ATOM 145 O GLY A 10 12.989 -3.007 -0.709 1.00 3.13 O ATOM 0 H GLY A 10 14.602 -1.218 0.478 1.00 24.10 H new ATOM 0 HA2 GLY A 10 15.004 -4.064 0.958 1.00 54.34 H new ATOM 0 HA3 GLY A 10 14.249 -3.212 2.290 1.00 54.34 H new ATOM 149 N ASP A 11 11.989 -3.613 1.234 1.00 23.41 N ATOM 150 CA ASP A 11 10.621 -3.694 0.679 1.00 5.32 C ATOM 151 C ASP A 11 9.584 -3.075 1.652 1.00 12.21 C ATOM 152 O ASP A 11 9.813 -2.992 2.861 1.00 43.33 O ATOM 153 CB ASP A 11 10.256 -5.171 0.354 1.00 25.21 C ATOM 154 CG ASP A 11 10.072 -6.047 1.605 1.00 72.40 C ATOM 155 OD1 ASP A 11 11.064 -6.295 2.318 1.00 22.52 O ATOM 156 OD2 ASP A 11 8.931 -6.484 1.889 1.00 50.22 O ATOM 0 H ASP A 11 12.045 -3.848 2.225 1.00 23.41 H new ATOM 0 HA ASP A 11 10.595 -3.117 -0.245 1.00 5.32 H new ATOM 0 HB2 ASP A 11 9.337 -5.189 -0.231 1.00 25.21 H new ATOM 0 HB3 ASP A 11 11.039 -5.602 -0.270 1.00 25.21 H new ATOM 161 N LEU A 12 8.455 -2.631 1.089 1.00 73.20 N ATOM 162 CA LEU A 12 7.281 -2.141 1.841 1.00 42.22 C ATOM 163 C LEU A 12 6.196 -3.243 1.864 1.00 12.25 C ATOM 164 O LEU A 12 6.037 -3.954 0.875 1.00 45.34 O ATOM 165 CB LEU A 12 6.738 -0.851 1.156 1.00 51.34 C ATOM 166 CG LEU A 12 5.503 -0.166 1.830 1.00 72.23 C ATOM 167 CD1 LEU A 12 5.826 0.301 3.269 1.00 13.24 C ATOM 168 CD2 LEU A 12 4.965 0.998 0.961 1.00 51.01 C ATOM 0 H LEU A 12 8.323 -2.599 0.078 1.00 73.20 H new ATOM 0 HA LEU A 12 7.562 -1.903 2.867 1.00 42.22 H new ATOM 0 HB2 LEU A 12 7.548 -0.123 1.110 1.00 51.34 H new ATOM 0 HB3 LEU A 12 6.472 -1.097 0.128 1.00 51.34 H new ATOM 0 HG LEU A 12 4.713 -0.913 1.905 1.00 72.23 H new ATOM 0 HD11 LEU A 12 4.945 0.772 3.705 1.00 13.24 H new ATOM 0 HD12 LEU A 12 6.115 -0.558 3.874 1.00 13.24 H new ATOM 0 HD13 LEU A 12 6.646 1.019 3.243 1.00 13.24 H new ATOM 0 HD21 LEU A 12 4.107 1.454 1.455 1.00 51.01 H new ATOM 0 HD22 LEU A 12 5.748 1.745 0.829 1.00 51.01 H new ATOM 0 HD23 LEU A 12 4.661 0.615 -0.013 1.00 51.01 H new ATOM 180 N GLU A 13 5.457 -3.386 2.988 1.00 44.11 N ATOM 181 CA GLU A 13 4.343 -4.366 3.100 1.00 32.23 C ATOM 182 C GLU A 13 3.147 -3.771 3.891 1.00 62.52 C ATOM 183 O GLU A 13 3.156 -3.729 5.122 1.00 43.42 O ATOM 184 CB GLU A 13 4.826 -5.692 3.759 1.00 10.01 C ATOM 185 CG GLU A 13 3.733 -6.778 3.857 1.00 64.40 C ATOM 186 CD GLU A 13 4.229 -8.103 4.455 1.00 61.43 C ATOM 187 OE1 GLU A 13 4.730 -8.958 3.693 1.00 51.11 O ATOM 188 OE2 GLU A 13 4.123 -8.293 5.687 1.00 62.01 O ATOM 0 H GLU A 13 5.610 -2.836 3.833 1.00 44.11 H new ATOM 0 HA GLU A 13 4.003 -4.591 2.089 1.00 32.23 H new ATOM 0 HB2 GLU A 13 5.665 -6.086 3.186 1.00 10.01 H new ATOM 0 HB3 GLU A 13 5.198 -5.474 4.760 1.00 10.01 H new ATOM 0 HG2 GLU A 13 2.912 -6.400 4.466 1.00 64.40 H new ATOM 0 HG3 GLU A 13 3.331 -6.967 2.862 1.00 64.40 H new ATOM 195 N LEU A 14 2.132 -3.293 3.158 1.00 60.21 N ATOM 196 CA LEU A 14 0.891 -2.740 3.727 1.00 32.13 C ATOM 197 C LEU A 14 -0.185 -3.836 3.858 1.00 64.41 C ATOM 198 O LEU A 14 -0.764 -4.261 2.856 1.00 11.41 O ATOM 199 CB LEU A 14 0.359 -1.607 2.813 1.00 53.43 C ATOM 200 CG LEU A 14 1.361 -0.470 2.463 1.00 62.44 C ATOM 201 CD1 LEU A 14 0.672 0.625 1.632 1.00 64.14 C ATOM 202 CD2 LEU A 14 2.022 0.109 3.726 1.00 41.33 C ATOM 0 H LEU A 14 2.148 -3.279 2.138 1.00 60.21 H new ATOM 0 HA LEU A 14 1.112 -2.345 4.718 1.00 32.13 H new ATOM 0 HB2 LEU A 14 0.012 -2.055 1.882 1.00 53.43 H new ATOM 0 HB3 LEU A 14 -0.510 -1.159 3.295 1.00 53.43 H new ATOM 0 HG LEU A 14 2.158 -0.900 1.855 1.00 62.44 H new ATOM 0 HD11 LEU A 14 1.391 1.411 1.398 1.00 64.14 H new ATOM 0 HD12 LEU A 14 0.291 0.194 0.706 1.00 64.14 H new ATOM 0 HD13 LEU A 14 -0.155 1.048 2.202 1.00 64.14 H new ATOM 0 HD21 LEU A 14 2.716 0.901 3.443 1.00 41.33 H new ATOM 0 HD22 LEU A 14 1.255 0.517 4.384 1.00 41.33 H new ATOM 0 HD23 LEU A 14 2.565 -0.680 4.247 1.00 41.33 H new ATOM 214 N VAL A 15 -0.438 -4.299 5.086 1.00 33.11 N ATOM 215 CA VAL A 15 -1.526 -5.262 5.367 1.00 64.32 C ATOM 216 C VAL A 15 -2.723 -4.529 6.019 1.00 73.43 C ATOM 217 O VAL A 15 -2.552 -3.808 7.003 1.00 53.34 O ATOM 218 CB VAL A 15 -1.047 -6.435 6.308 1.00 24.01 C ATOM 219 CG1 VAL A 15 -2.162 -7.512 6.477 1.00 33.24 C ATOM 220 CG2 VAL A 15 0.278 -7.065 5.793 1.00 50.20 C ATOM 0 H VAL A 15 0.095 -4.025 5.911 1.00 33.11 H new ATOM 0 HA VAL A 15 -1.831 -5.700 4.416 1.00 64.32 H new ATOM 0 HB VAL A 15 -0.847 -6.011 7.292 1.00 24.01 H new ATOM 0 HG11 VAL A 15 -1.803 -8.308 7.130 1.00 33.24 H new ATOM 0 HG12 VAL A 15 -3.048 -7.053 6.917 1.00 33.24 H new ATOM 0 HG13 VAL A 15 -2.415 -7.929 5.502 1.00 33.24 H new ATOM 0 HG21 VAL A 15 0.582 -7.870 6.462 1.00 50.20 H new ATOM 0 HG22 VAL A 15 0.125 -7.465 4.790 1.00 50.20 H new ATOM 0 HG23 VAL A 15 1.057 -6.303 5.765 1.00 50.20 H new ATOM 230 N VAL A 16 -3.924 -4.700 5.454 1.00 50.15 N ATOM 231 CA VAL A 16 -5.181 -4.151 6.023 1.00 70.12 C ATOM 232 C VAL A 16 -6.066 -5.256 6.614 1.00 13.31 C ATOM 233 O VAL A 16 -6.010 -6.411 6.196 1.00 61.11 O ATOM 234 CB VAL A 16 -6.034 -3.335 4.980 1.00 75.22 C ATOM 235 CG1 VAL A 16 -5.457 -1.935 4.741 1.00 4.23 C ATOM 236 CG2 VAL A 16 -6.170 -4.096 3.649 1.00 51.02 C ATOM 0 H VAL A 16 -4.062 -5.222 4.589 1.00 50.15 H new ATOM 0 HA VAL A 16 -4.857 -3.469 6.810 1.00 70.12 H new ATOM 0 HB VAL A 16 -7.029 -3.216 5.410 1.00 75.22 H new ATOM 0 HG11 VAL A 16 -6.075 -1.406 4.015 1.00 4.23 H new ATOM 0 HG12 VAL A 16 -5.445 -1.381 5.680 1.00 4.23 H new ATOM 0 HG13 VAL A 16 -4.440 -2.021 4.358 1.00 4.23 H new ATOM 0 HG21 VAL A 16 -6.764 -3.506 2.951 1.00 51.02 H new ATOM 0 HG22 VAL A 16 -5.180 -4.270 3.226 1.00 51.02 H new ATOM 0 HG23 VAL A 16 -6.662 -5.053 3.825 1.00 51.02 H new ATOM 246 N HIS A 17 -6.836 -4.880 7.643 1.00 43.44 N ATOM 247 CA HIS A 17 -7.989 -5.654 8.139 1.00 10.41 C ATOM 248 C HIS A 17 -9.231 -4.731 8.226 1.00 64.21 C ATOM 249 O HIS A 17 -10.107 -4.930 9.077 1.00 10.51 O ATOM 250 CB HIS A 17 -7.653 -6.312 9.507 1.00 75.11 C ATOM 251 CG HIS A 17 -6.592 -7.379 9.409 1.00 74.41 C ATOM 252 ND1 HIS A 17 -5.275 -7.169 9.741 1.00 61.50 N ATOM 253 CD2 HIS A 17 -6.663 -8.663 8.983 1.00 73.00 C ATOM 254 CE1 HIS A 17 -4.583 -8.267 9.525 1.00 33.41 C ATOM 255 NE2 HIS A 17 -5.396 -9.190 9.065 1.00 63.55 N ATOM 0 H HIS A 17 -6.676 -4.018 8.164 1.00 43.44 H new ATOM 0 HA HIS A 17 -8.217 -6.462 7.444 1.00 10.41 H new ATOM 0 HB2 HIS A 17 -7.320 -5.541 10.202 1.00 75.11 H new ATOM 0 HB3 HIS A 17 -8.560 -6.748 9.925 1.00 75.11 H new ATOM 0 HD2 HIS A 17 -7.550 -9.177 8.642 1.00 73.00 H new ATOM 0 HE1 HIS A 17 -3.524 -8.389 9.697 1.00 33.41 H new ATOM 0 HE2 HIS A 17 -5.131 -10.141 8.810 1.00 63.55 H new ATOM 264 N LEU A 18 -9.294 -3.726 7.307 1.00 3.43 N ATOM 265 CA LEU A 18 -10.471 -2.822 7.134 1.00 21.52 C ATOM 266 C LEU A 18 -11.828 -3.576 6.964 1.00 42.03 C ATOM 267 O LEU A 18 -11.864 -4.776 6.663 1.00 5.20 O ATOM 268 CB LEU A 18 -10.220 -1.822 5.945 1.00 30.24 C ATOM 269 CG LEU A 18 -9.632 -2.396 4.596 1.00 1.44 C ATOM 270 CD1 LEU A 18 -10.570 -3.393 3.876 1.00 23.44 C ATOM 271 CD2 LEU A 18 -9.216 -1.249 3.642 1.00 11.51 C ATOM 0 H LEU A 18 -8.530 -3.519 6.664 1.00 3.43 H new ATOM 0 HA LEU A 18 -10.568 -2.260 8.063 1.00 21.52 H new ATOM 0 HB2 LEU A 18 -11.168 -1.335 5.714 1.00 30.24 H new ATOM 0 HB3 LEU A 18 -9.541 -1.047 6.300 1.00 30.24 H new ATOM 0 HG LEU A 18 -8.748 -2.968 4.879 1.00 1.44 H new ATOM 0 HD11 LEU A 18 -10.095 -3.742 2.959 1.00 23.44 H new ATOM 0 HD12 LEU A 18 -10.767 -4.243 4.529 1.00 23.44 H new ATOM 0 HD13 LEU A 18 -11.510 -2.897 3.632 1.00 23.44 H new ATOM 0 HD21 LEU A 18 -8.814 -1.670 2.720 1.00 11.51 H new ATOM 0 HD22 LEU A 18 -10.086 -0.634 3.411 1.00 11.51 H new ATOM 0 HD23 LEU A 18 -8.455 -0.634 4.122 1.00 11.51 H new ATOM 283 N SER A 19 -12.941 -2.835 7.096 1.00 44.41 N ATOM 284 CA SER A 19 -14.315 -3.415 7.110 1.00 62.00 C ATOM 285 C SER A 19 -14.911 -3.584 5.684 1.00 5.23 C ATOM 286 O SER A 19 -16.130 -3.493 5.504 1.00 52.14 O ATOM 287 CB SER A 19 -15.234 -2.521 7.984 1.00 74.13 C ATOM 288 OG SER A 19 -14.758 -2.446 9.318 1.00 52.51 O ATOM 0 H SER A 19 -12.925 -1.820 7.196 1.00 44.41 H new ATOM 0 HA SER A 19 -14.251 -4.417 7.535 1.00 62.00 H new ATOM 0 HB2 SER A 19 -15.285 -1.520 7.556 1.00 74.13 H new ATOM 0 HB3 SER A 19 -16.248 -2.922 7.979 1.00 74.13 H new ATOM 0 HG SER A 19 -15.354 -1.875 9.846 1.00 52.51 H new ATOM 294 N GLY A 20 -14.048 -3.872 4.682 1.00 21.32 N ATOM 295 CA GLY A 20 -14.484 -4.098 3.291 1.00 42.54 C ATOM 296 C GLY A 20 -14.281 -5.559 2.834 1.00 4.45 C ATOM 297 O GLY A 20 -13.213 -5.889 2.306 1.00 64.11 O ATOM 0 H GLY A 20 -13.040 -3.953 4.816 1.00 21.32 H new ATOM 0 HA2 GLY A 20 -15.538 -3.835 3.197 1.00 42.54 H new ATOM 0 HA3 GLY A 20 -13.930 -3.434 2.628 1.00 42.54 H new ATOM 301 N PRO A 21 -15.296 -6.471 3.023 1.00 62.32 N ATOM 302 CA PRO A 21 -15.195 -7.901 2.608 1.00 43.43 C ATOM 303 C PRO A 21 -15.435 -8.117 1.085 1.00 30.32 C ATOM 304 O PRO A 21 -15.934 -7.219 0.388 1.00 23.13 O ATOM 305 CB PRO A 21 -16.308 -8.570 3.454 1.00 73.32 C ATOM 306 CG PRO A 21 -17.368 -7.510 3.561 1.00 45.14 C ATOM 307 CD PRO A 21 -16.619 -6.189 3.657 1.00 3.41 C ATOM 0 HA PRO A 21 -14.199 -8.312 2.772 1.00 43.43 H new ATOM 0 HB2 PRO A 21 -16.690 -9.470 2.972 1.00 73.32 H new ATOM 0 HB3 PRO A 21 -15.939 -8.867 4.436 1.00 73.32 H new ATOM 0 HG2 PRO A 21 -18.026 -7.525 2.692 1.00 45.14 H new ATOM 0 HG3 PRO A 21 -17.995 -7.670 4.438 1.00 45.14 H new ATOM 0 HD2 PRO A 21 -17.149 -5.392 3.135 1.00 3.41 H new ATOM 0 HD3 PRO A 21 -16.504 -5.871 4.693 1.00 3.41 H new ATOM 315 N GLY A 22 -15.061 -9.321 0.593 1.00 1.23 N ATOM 316 CA GLY A 22 -15.268 -9.721 -0.812 1.00 41.32 C ATOM 317 C GLY A 22 -14.413 -8.930 -1.808 1.00 12.53 C ATOM 318 O GLY A 22 -13.308 -9.353 -2.162 1.00 42.45 O ATOM 0 H GLY A 22 -14.609 -10.038 1.160 1.00 1.23 H new ATOM 0 HA2 GLY A 22 -15.043 -10.782 -0.916 1.00 41.32 H new ATOM 0 HA3 GLY A 22 -16.320 -9.592 -1.066 1.00 41.32 H new ATOM 322 N GLY A 23 -14.929 -7.764 -2.237 1.00 52.41 N ATOM 323 CA GLY A 23 -14.213 -6.861 -3.141 1.00 51.31 C ATOM 324 C GLY A 23 -14.470 -7.137 -4.640 1.00 4.40 C ATOM 325 O GLY A 23 -15.637 -7.179 -5.046 1.00 34.01 O ATOM 0 H GLY A 23 -15.852 -7.427 -1.965 1.00 52.41 H new ATOM 0 HA2 GLY A 23 -14.502 -5.834 -2.916 1.00 51.31 H new ATOM 0 HA3 GLY A 23 -13.144 -6.941 -2.946 1.00 51.31 H new ATOM 329 N PRO A 24 -13.415 -7.322 -5.519 1.00 21.53 N ATOM 330 CA PRO A 24 -11.966 -7.313 -5.135 1.00 11.42 C ATOM 331 C PRO A 24 -11.446 -5.911 -4.687 1.00 14.34 C ATOM 332 O PRO A 24 -11.472 -4.942 -5.455 1.00 11.44 O ATOM 333 CB PRO A 24 -11.253 -7.802 -6.427 1.00 23.43 C ATOM 334 CG PRO A 24 -12.181 -7.400 -7.538 1.00 71.13 C ATOM 335 CD PRO A 24 -13.583 -7.573 -6.981 1.00 3.31 C ATOM 0 HA PRO A 24 -11.776 -7.941 -4.265 1.00 11.42 H new ATOM 0 HB2 PRO A 24 -10.273 -7.339 -6.540 1.00 23.43 H new ATOM 0 HB3 PRO A 24 -11.096 -8.880 -6.411 1.00 23.43 H new ATOM 0 HG2 PRO A 24 -12.005 -6.368 -7.842 1.00 71.13 H new ATOM 0 HG3 PRO A 24 -12.030 -8.023 -8.420 1.00 71.13 H new ATOM 0 HD2 PRO A 24 -14.283 -6.868 -7.431 1.00 3.31 H new ATOM 0 HD3 PRO A 24 -13.970 -8.574 -7.174 1.00 3.31 H new ATOM 343 N VAL A 25 -11.010 -5.828 -3.411 1.00 71.01 N ATOM 344 CA VAL A 25 -10.484 -4.585 -2.813 1.00 52.34 C ATOM 345 C VAL A 25 -9.169 -4.170 -3.519 1.00 3.14 C ATOM 346 O VAL A 25 -8.197 -4.938 -3.552 1.00 50.21 O ATOM 347 CB VAL A 25 -10.238 -4.754 -1.268 1.00 72.41 C ATOM 348 CG1 VAL A 25 -9.636 -3.472 -0.627 1.00 32.15 C ATOM 349 CG2 VAL A 25 -11.526 -5.216 -0.534 1.00 25.32 C ATOM 0 H VAL A 25 -11.013 -6.621 -2.769 1.00 71.01 H new ATOM 0 HA VAL A 25 -11.229 -3.802 -2.952 1.00 52.34 H new ATOM 0 HB VAL A 25 -9.495 -5.542 -1.148 1.00 72.41 H new ATOM 0 HG11 VAL A 25 -9.484 -3.636 0.440 1.00 32.15 H new ATOM 0 HG12 VAL A 25 -8.681 -3.243 -1.099 1.00 32.15 H new ATOM 0 HG13 VAL A 25 -10.321 -2.637 -0.772 1.00 32.15 H new ATOM 0 HG21 VAL A 25 -11.320 -5.322 0.531 1.00 25.32 H new ATOM 0 HG22 VAL A 25 -12.313 -4.476 -0.679 1.00 25.32 H new ATOM 0 HG23 VAL A 25 -11.851 -6.175 -0.938 1.00 25.32 H new ATOM 359 N ARG A 26 -9.145 -2.939 -4.041 1.00 30.31 N ATOM 360 CA ARG A 26 -8.057 -2.441 -4.900 1.00 44.24 C ATOM 361 C ARG A 26 -7.012 -1.670 -4.075 1.00 21.11 C ATOM 362 O ARG A 26 -7.242 -1.316 -2.922 1.00 71.30 O ATOM 363 CB ARG A 26 -8.655 -1.520 -6.003 1.00 33.24 C ATOM 364 CG ARG A 26 -9.625 -2.240 -6.970 1.00 61.34 C ATOM 365 CD ARG A 26 -10.225 -1.295 -8.029 1.00 43.51 C ATOM 366 NE ARG A 26 -11.130 -0.282 -7.446 1.00 13.42 N ATOM 367 CZ ARG A 26 -11.772 0.643 -8.129 1.00 64.33 C ATOM 368 NH1 ARG A 26 -11.578 0.807 -9.398 1.00 1.52 N ATOM 369 NH2 ARG A 26 -12.592 1.431 -7.526 1.00 52.55 N ATOM 0 H ARG A 26 -9.883 -2.253 -3.880 1.00 30.31 H new ATOM 0 HA ARG A 26 -7.557 -3.292 -5.363 1.00 44.24 H new ATOM 0 HB2 ARG A 26 -9.182 -0.694 -5.525 1.00 33.24 H new ATOM 0 HB3 ARG A 26 -7.839 -1.086 -6.581 1.00 33.24 H new ATOM 0 HG2 ARG A 26 -9.096 -3.050 -7.471 1.00 61.34 H new ATOM 0 HG3 ARG A 26 -10.433 -2.694 -6.396 1.00 61.34 H new ATOM 0 HD2 ARG A 26 -9.417 -0.791 -8.559 1.00 43.51 H new ATOM 0 HD3 ARG A 26 -10.772 -1.883 -8.766 1.00 43.51 H new ATOM 0 HE ARG A 26 -11.268 -0.301 -6.436 1.00 13.42 H new ATOM 0 HH11 ARG A 26 -10.914 0.212 -9.894 1.00 1.52 H new ATOM 0 HH12 ARG A 26 -12.089 1.531 -9.903 1.00 1.52 H new ATOM 0 HH21 ARG A 26 -12.743 1.338 -6.522 1.00 52.55 H new ATOM 0 HH22 ARG A 26 -13.091 2.148 -8.053 1.00 52.55 H new ATOM 383 N TRP A 27 -5.846 -1.461 -4.682 1.00 54.34 N ATOM 384 CA TRP A 27 -4.740 -0.684 -4.095 1.00 22.02 C ATOM 385 C TRP A 27 -4.399 0.494 -5.004 1.00 51.02 C ATOM 386 O TRP A 27 -4.343 0.334 -6.213 1.00 33.01 O ATOM 387 CB TRP A 27 -3.499 -1.588 -3.884 1.00 22.14 C ATOM 388 CG TRP A 27 -3.601 -2.451 -2.654 1.00 4.41 C ATOM 389 CD1 TRP A 27 -3.978 -3.763 -2.567 1.00 23.33 C ATOM 390 CD2 TRP A 27 -3.336 -2.017 -1.321 1.00 21.54 C ATOM 391 NE1 TRP A 27 -3.907 -4.180 -1.263 1.00 21.44 N ATOM 392 CE2 TRP A 27 -3.525 -3.122 -0.476 1.00 74.44 C ATOM 393 CE3 TRP A 27 -2.934 -0.794 -0.770 1.00 30.21 C ATOM 394 CZ2 TRP A 27 -3.329 -3.039 0.900 1.00 11.44 C ATOM 395 CZ3 TRP A 27 -2.744 -0.715 0.593 1.00 12.44 C ATOM 396 CH2 TRP A 27 -2.937 -1.837 1.414 1.00 53.33 C ATOM 0 H TRP A 27 -5.633 -1.829 -5.609 1.00 54.34 H new ATOM 0 HA TRP A 27 -5.050 -0.300 -3.123 1.00 22.02 H new ATOM 0 HB2 TRP A 27 -3.368 -2.226 -4.758 1.00 22.14 H new ATOM 0 HB3 TRP A 27 -2.609 -0.963 -3.809 1.00 22.14 H new ATOM 0 HD1 TRP A 27 -4.285 -4.378 -3.400 1.00 23.33 H new ATOM 0 HE1 TRP A 27 -4.106 -5.124 -0.931 1.00 21.44 H new ATOM 0 HE3 TRP A 27 -2.776 0.069 -1.400 1.00 30.21 H new ATOM 0 HZ2 TRP A 27 -3.482 -3.896 1.539 1.00 11.44 H new ATOM 0 HZ3 TRP A 27 -2.443 0.223 1.035 1.00 12.44 H new ATOM 0 HH2 TRP A 27 -2.771 -1.747 2.477 1.00 53.33 H new ATOM 407 N TYR A 28 -4.218 1.677 -4.406 1.00 72.52 N ATOM 408 CA TYR A 28 -3.833 2.919 -5.115 1.00 71.52 C ATOM 409 C TYR A 28 -2.528 3.490 -4.544 1.00 21.30 C ATOM 410 O TYR A 28 -2.103 3.125 -3.452 1.00 74.42 O ATOM 411 CB TYR A 28 -4.960 3.991 -5.007 1.00 4.21 C ATOM 412 CG TYR A 28 -6.209 3.727 -5.870 1.00 54.21 C ATOM 413 CD1 TYR A 28 -7.054 2.639 -5.627 1.00 63.42 C ATOM 414 CD2 TYR A 28 -6.534 4.569 -6.940 1.00 44.31 C ATOM 415 CE1 TYR A 28 -8.167 2.407 -6.415 1.00 51.44 C ATOM 416 CE2 TYR A 28 -7.643 4.339 -7.722 1.00 61.13 C ATOM 417 CZ TYR A 28 -8.453 3.256 -7.458 1.00 22.35 C ATOM 418 OH TYR A 28 -9.561 3.029 -8.239 1.00 12.24 O ATOM 0 H TYR A 28 -4.335 1.808 -3.401 1.00 72.52 H new ATOM 0 HA TYR A 28 -3.682 2.667 -6.165 1.00 71.52 H new ATOM 0 HB2 TYR A 28 -5.269 4.065 -3.964 1.00 4.21 H new ATOM 0 HB3 TYR A 28 -4.545 4.959 -5.286 1.00 4.21 H new ATOM 0 HD1 TYR A 28 -6.834 1.968 -4.810 1.00 63.42 H new ATOM 0 HD2 TYR A 28 -5.901 5.417 -7.156 1.00 44.31 H new ATOM 0 HE1 TYR A 28 -8.809 1.562 -6.212 1.00 51.44 H new ATOM 0 HE2 TYR A 28 -7.877 5.005 -8.539 1.00 61.13 H new ATOM 0 HH TYR A 28 -9.621 3.720 -8.931 1.00 12.24 H new ATOM 428 N LYS A 29 -1.910 4.374 -5.324 1.00 52.00 N ATOM 429 CA LYS A 29 -0.766 5.207 -4.899 1.00 53.10 C ATOM 430 C LYS A 29 -0.736 6.484 -5.751 1.00 1.23 C ATOM 431 O LYS A 29 -0.779 6.399 -6.981 1.00 50.54 O ATOM 432 CB LYS A 29 0.574 4.432 -5.028 1.00 72.32 C ATOM 433 CG LYS A 29 1.864 5.282 -4.858 1.00 22.11 C ATOM 434 CD LYS A 29 1.989 5.983 -3.475 1.00 44.42 C ATOM 435 CE LYS A 29 3.428 6.451 -3.162 1.00 31.14 C ATOM 436 NZ LYS A 29 4.023 7.275 -4.240 1.00 72.41 N ATOM 0 H LYS A 29 -2.189 4.542 -6.291 1.00 52.00 H new ATOM 0 HA LYS A 29 -0.889 5.469 -3.848 1.00 53.10 H new ATOM 0 HB2 LYS A 29 0.585 3.636 -4.284 1.00 72.32 H new ATOM 0 HB3 LYS A 29 0.603 3.953 -6.007 1.00 72.32 H new ATOM 0 HG2 LYS A 29 2.731 4.639 -5.006 1.00 22.11 H new ATOM 0 HG3 LYS A 29 1.892 6.040 -5.641 1.00 22.11 H new ATOM 0 HD2 LYS A 29 1.320 6.843 -3.448 1.00 44.42 H new ATOM 0 HD3 LYS A 29 1.658 5.297 -2.695 1.00 44.42 H new ATOM 0 HE2 LYS A 29 3.423 7.026 -2.236 1.00 31.14 H new ATOM 0 HE3 LYS A 29 4.058 5.578 -2.992 1.00 31.14 H new ATOM 0 HZ1 LYS A 29 5.002 6.969 -4.410 1.00 72.41 H new ATOM 0 HZ2 LYS A 29 3.468 7.160 -5.112 1.00 72.41 H new ATOM 0 HZ3 LYS A 29 4.017 8.275 -3.956 1.00 72.41 H new ATOM 450 N ASP A 30 -0.669 7.654 -5.076 1.00 10.24 N ATOM 451 CA ASP A 30 -0.682 8.993 -5.727 1.00 32.11 C ATOM 452 C ASP A 30 -2.034 9.276 -6.455 1.00 15.23 C ATOM 453 O ASP A 30 -2.130 10.194 -7.277 1.00 53.04 O ATOM 454 CB ASP A 30 0.516 9.150 -6.710 1.00 2.54 C ATOM 455 CG ASP A 30 1.889 8.938 -6.063 1.00 74.03 C ATOM 456 OD1 ASP A 30 2.176 9.578 -5.028 1.00 34.30 O ATOM 457 OD2 ASP A 30 2.692 8.132 -6.585 1.00 35.42 O ATOM 0 H ASP A 30 -0.604 7.701 -4.059 1.00 10.24 H new ATOM 0 HA ASP A 30 -0.576 9.734 -4.935 1.00 32.11 H new ATOM 0 HB2 ASP A 30 0.397 8.438 -7.527 1.00 2.54 H new ATOM 0 HB3 ASP A 30 0.483 10.147 -7.149 1.00 2.54 H new ATOM 462 N GLY A 31 -3.082 8.495 -6.108 1.00 71.03 N ATOM 463 CA GLY A 31 -4.377 8.541 -6.810 1.00 41.23 C ATOM 464 C GLY A 31 -4.478 7.555 -7.990 1.00 71.42 C ATOM 465 O GLY A 31 -5.557 7.390 -8.574 1.00 31.31 O ATOM 0 H GLY A 31 -3.052 7.823 -5.341 1.00 71.03 H new ATOM 0 HA2 GLY A 31 -5.174 8.325 -6.098 1.00 41.23 H new ATOM 0 HA3 GLY A 31 -4.545 9.553 -7.178 1.00 41.23 H new ATOM 469 N GLU A 32 -3.355 6.891 -8.333 1.00 63.32 N ATOM 470 CA GLU A 32 -3.280 5.927 -9.456 1.00 35.23 C ATOM 471 C GLU A 32 -3.131 4.489 -8.922 1.00 1.43 C ATOM 472 O GLU A 32 -2.165 4.185 -8.217 1.00 11.12 O ATOM 473 CB GLU A 32 -2.089 6.272 -10.380 1.00 43.01 C ATOM 474 CG GLU A 32 -1.887 5.284 -11.547 1.00 20.42 C ATOM 475 CD GLU A 32 -0.797 5.741 -12.520 1.00 13.42 C ATOM 476 OE1 GLU A 32 -1.095 6.588 -13.393 1.00 4.04 O ATOM 477 OE2 GLU A 32 0.355 5.276 -12.415 1.00 70.41 O ATOM 0 H GLU A 32 -2.470 7.007 -7.839 1.00 63.32 H new ATOM 0 HA GLU A 32 -4.204 5.994 -10.030 1.00 35.23 H new ATOM 0 HB2 GLU A 32 -2.237 7.272 -10.787 1.00 43.01 H new ATOM 0 HB3 GLU A 32 -1.178 6.303 -9.783 1.00 43.01 H new ATOM 0 HG2 GLU A 32 -1.626 4.304 -11.148 1.00 20.42 H new ATOM 0 HG3 GLU A 32 -2.827 5.168 -12.087 1.00 20.42 H new ATOM 484 N ARG A 33 -4.081 3.607 -9.286 1.00 50.32 N ATOM 485 CA ARG A 33 -4.117 2.220 -8.776 1.00 2.54 C ATOM 486 C ARG A 33 -2.904 1.371 -9.256 1.00 53.24 C ATOM 487 O ARG A 33 -2.422 1.519 -10.388 1.00 72.21 O ATOM 488 CB ARG A 33 -5.463 1.503 -9.120 1.00 75.32 C ATOM 489 CG ARG A 33 -5.626 1.038 -10.579 1.00 20.25 C ATOM 490 CD ARG A 33 -5.847 2.178 -11.585 1.00 11.32 C ATOM 491 NE ARG A 33 -6.044 1.665 -12.951 1.00 54.10 N ATOM 492 CZ ARG A 33 -6.322 2.390 -14.013 1.00 52.22 C ATOM 493 NH1 ARG A 33 -6.435 3.686 -13.943 1.00 44.30 N ATOM 494 NH2 ARG A 33 -6.483 1.803 -15.151 1.00 34.11 N ATOM 0 H ARG A 33 -4.837 3.830 -9.934 1.00 50.32 H new ATOM 0 HA ARG A 33 -4.046 2.302 -7.691 1.00 2.54 H new ATOM 0 HB2 ARG A 33 -5.566 0.635 -8.469 1.00 75.32 H new ATOM 0 HB3 ARG A 33 -6.284 2.180 -8.881 1.00 75.32 H new ATOM 0 HG2 ARG A 33 -4.737 0.479 -10.871 1.00 20.25 H new ATOM 0 HG3 ARG A 33 -6.469 0.350 -10.637 1.00 20.25 H new ATOM 0 HD2 ARG A 33 -6.717 2.764 -11.287 1.00 11.32 H new ATOM 0 HD3 ARG A 33 -4.989 2.850 -11.568 1.00 11.32 H new ATOM 0 HE ARG A 33 -5.957 0.658 -13.086 1.00 54.10 H new ATOM 0 HH11 ARG A 33 -6.307 4.162 -13.050 1.00 44.30 H new ATOM 0 HH12 ARG A 33 -6.651 4.225 -14.781 1.00 44.30 H new ATOM 0 HH21 ARG A 33 -6.394 0.789 -15.219 1.00 34.11 H new ATOM 0 HH22 ARG A 33 -6.699 2.353 -15.982 1.00 34.11 H new ATOM 508 N LEU A 34 -2.430 0.493 -8.359 1.00 44.34 N ATOM 509 CA LEU A 34 -1.307 -0.429 -8.612 1.00 42.12 C ATOM 510 C LEU A 34 -1.806 -1.749 -9.251 1.00 74.45 C ATOM 511 O LEU A 34 -2.966 -2.140 -9.066 1.00 34.31 O ATOM 512 CB LEU A 34 -0.559 -0.724 -7.276 1.00 65.23 C ATOM 513 CG LEU A 34 -0.076 0.524 -6.451 1.00 34.21 C ATOM 514 CD1 LEU A 34 0.823 0.112 -5.275 1.00 44.02 C ATOM 515 CD2 LEU A 34 0.629 1.560 -7.359 1.00 32.04 C ATOM 0 H LEU A 34 -2.821 0.400 -7.422 1.00 44.34 H new ATOM 0 HA LEU A 34 -0.620 0.045 -9.313 1.00 42.12 H new ATOM 0 HB2 LEU A 34 -1.216 -1.319 -6.641 1.00 65.23 H new ATOM 0 HB3 LEU A 34 0.311 -1.341 -7.501 1.00 65.23 H new ATOM 0 HG LEU A 34 -0.963 0.999 -6.032 1.00 34.21 H new ATOM 0 HD11 LEU A 34 1.137 1.001 -4.728 1.00 44.02 H new ATOM 0 HD12 LEU A 34 0.269 -0.548 -4.607 1.00 44.02 H new ATOM 0 HD13 LEU A 34 1.702 -0.410 -5.654 1.00 44.02 H new ATOM 0 HD21 LEU A 34 0.951 2.411 -6.758 1.00 32.04 H new ATOM 0 HD22 LEU A 34 1.497 1.099 -7.831 1.00 32.04 H new ATOM 0 HD23 LEU A 34 -0.064 1.901 -8.128 1.00 32.04 H new ATOM 527 N ALA A 35 -0.929 -2.403 -10.027 1.00 65.22 N ATOM 528 CA ALA A 35 -1.198 -3.727 -10.645 1.00 10.44 C ATOM 529 C ALA A 35 -0.273 -4.801 -10.036 1.00 32.02 C ATOM 530 O ALA A 35 0.774 -4.470 -9.476 1.00 24.01 O ATOM 531 CB ALA A 35 -1.011 -3.649 -12.174 1.00 0.43 C ATOM 0 H ALA A 35 -0.005 -2.033 -10.250 1.00 65.22 H new ATOM 0 HA ALA A 35 -2.231 -4.008 -10.438 1.00 10.44 H new ATOM 0 HB1 ALA A 35 -1.211 -4.625 -12.615 1.00 0.43 H new ATOM 0 HB2 ALA A 35 -1.702 -2.915 -12.588 1.00 0.43 H new ATOM 0 HB3 ALA A 35 0.013 -3.351 -12.401 1.00 0.43 H new ATOM 537 N SER A 36 -0.669 -6.083 -10.151 1.00 30.02 N ATOM 538 CA SER A 36 0.127 -7.227 -9.641 1.00 44.54 C ATOM 539 C SER A 36 1.408 -7.441 -10.500 1.00 5.11 C ATOM 540 O SER A 36 1.435 -8.244 -11.442 1.00 14.40 O ATOM 541 CB SER A 36 -0.750 -8.511 -9.573 1.00 62.05 C ATOM 542 OG SER A 36 -1.354 -8.808 -10.829 1.00 54.12 O ATOM 0 H SER A 36 -1.544 -6.359 -10.597 1.00 30.02 H new ATOM 0 HA SER A 36 0.457 -6.999 -8.627 1.00 44.54 H new ATOM 0 HB2 SER A 36 -0.136 -9.354 -9.257 1.00 62.05 H new ATOM 0 HB3 SER A 36 -1.526 -8.381 -8.818 1.00 62.05 H new ATOM 0 HG SER A 36 -0.682 -8.741 -11.539 1.00 54.12 H new ATOM 548 N GLN A 37 2.445 -6.652 -10.175 1.00 64.10 N ATOM 549 CA GLN A 37 3.759 -6.649 -10.857 1.00 75.31 C ATOM 550 C GLN A 37 4.780 -7.536 -10.080 1.00 64.23 C ATOM 551 O GLN A 37 4.494 -7.980 -8.963 1.00 62.52 O ATOM 552 CB GLN A 37 4.254 -5.165 -10.936 1.00 44.00 C ATOM 553 CG GLN A 37 5.483 -4.908 -11.840 1.00 62.53 C ATOM 554 CD GLN A 37 6.029 -3.483 -11.731 1.00 55.13 C ATOM 555 OE1 GLN A 37 6.910 -3.203 -10.927 1.00 63.22 O ATOM 556 NE2 GLN A 37 5.502 -2.577 -12.525 1.00 5.32 N ATOM 0 H GLN A 37 2.396 -5.979 -9.410 1.00 64.10 H new ATOM 0 HA GLN A 37 3.667 -7.065 -11.860 1.00 75.31 H new ATOM 0 HB2 GLN A 37 3.430 -4.546 -11.292 1.00 44.00 H new ATOM 0 HB3 GLN A 37 4.493 -4.828 -9.927 1.00 44.00 H new ATOM 0 HG2 GLN A 37 6.272 -5.613 -11.577 1.00 62.53 H new ATOM 0 HG3 GLN A 37 5.210 -5.107 -12.877 1.00 62.53 H new ATOM 0 HE21 GLN A 37 4.770 -2.841 -13.184 1.00 5.32 H new ATOM 0 HE22 GLN A 37 5.826 -1.611 -12.482 1.00 5.32 H new ATOM 565 N GLY A 38 5.965 -7.792 -10.684 1.00 73.43 N ATOM 566 CA GLY A 38 7.073 -8.492 -9.998 1.00 70.44 C ATOM 567 C GLY A 38 7.521 -7.799 -8.700 1.00 62.52 C ATOM 568 O GLY A 38 7.760 -8.462 -7.682 1.00 10.43 O ATOM 0 H GLY A 38 6.176 -7.523 -11.645 1.00 73.43 H new ATOM 0 HA2 GLY A 38 6.763 -9.511 -9.769 1.00 70.44 H new ATOM 0 HA3 GLY A 38 7.924 -8.563 -10.676 1.00 70.44 H new ATOM 572 N ARG A 39 7.635 -6.453 -8.754 1.00 34.25 N ATOM 573 CA ARG A 39 7.858 -5.614 -7.552 1.00 72.12 C ATOM 574 C ARG A 39 6.583 -5.564 -6.675 1.00 34.15 C ATOM 575 O ARG A 39 6.628 -5.870 -5.485 1.00 33.55 O ATOM 576 CB ARG A 39 8.271 -4.164 -7.941 1.00 3.31 C ATOM 577 CG ARG A 39 9.665 -4.026 -8.599 1.00 63.12 C ATOM 578 CD ARG A 39 9.982 -2.563 -8.981 1.00 43.23 C ATOM 579 NE ARG A 39 11.346 -2.390 -9.519 1.00 75.31 N ATOM 580 CZ ARG A 39 11.845 -1.256 -9.973 1.00 70.43 C ATOM 581 NH1 ARG A 39 11.118 -0.188 -10.085 1.00 32.42 N ATOM 582 NH2 ARG A 39 13.077 -1.206 -10.348 1.00 42.40 N ATOM 0 H ARG A 39 7.576 -5.921 -9.622 1.00 34.25 H new ATOM 0 HA ARG A 39 8.670 -6.070 -6.986 1.00 72.12 H new ATOM 0 HB2 ARG A 39 7.523 -3.762 -8.625 1.00 3.31 H new ATOM 0 HB3 ARG A 39 8.248 -3.545 -7.044 1.00 3.31 H new ATOM 0 HG2 ARG A 39 10.428 -4.395 -7.913 1.00 63.12 H new ATOM 0 HG3 ARG A 39 9.709 -4.651 -9.491 1.00 63.12 H new ATOM 0 HD2 ARG A 39 9.259 -2.222 -9.722 1.00 43.23 H new ATOM 0 HD3 ARG A 39 9.861 -1.929 -8.102 1.00 43.23 H new ATOM 0 HE ARG A 39 11.950 -3.212 -9.541 1.00 75.31 H new ATOM 0 HH11 ARG A 39 10.134 -0.211 -9.819 1.00 32.42 H new ATOM 0 HH12 ARG A 39 11.531 0.675 -10.439 1.00 32.42 H new ATOM 0 HH21 ARG A 39 13.661 -2.040 -10.293 1.00 42.40 H new ATOM 0 HH22 ARG A 39 13.468 -0.332 -10.700 1.00 42.40 H new ATOM 596 N VAL A 40 5.451 -5.185 -7.306 1.00 31.52 N ATOM 597 CA VAL A 40 4.164 -4.917 -6.618 1.00 3.14 C ATOM 598 C VAL A 40 3.302 -6.207 -6.467 1.00 30.01 C ATOM 599 O VAL A 40 2.526 -6.564 -7.356 1.00 73.43 O ATOM 600 CB VAL A 40 3.360 -3.795 -7.390 1.00 13.42 C ATOM 601 CG1 VAL A 40 2.027 -3.452 -6.684 1.00 64.51 C ATOM 602 CG2 VAL A 40 4.232 -2.526 -7.587 1.00 61.41 C ATOM 0 H VAL A 40 5.402 -5.055 -8.316 1.00 31.52 H new ATOM 0 HA VAL A 40 4.392 -4.565 -5.612 1.00 3.14 H new ATOM 0 HB VAL A 40 3.109 -4.192 -8.374 1.00 13.42 H new ATOM 0 HG11 VAL A 40 1.506 -2.677 -7.247 1.00 64.51 H new ATOM 0 HG12 VAL A 40 1.403 -4.344 -6.632 1.00 64.51 H new ATOM 0 HG13 VAL A 40 2.231 -3.093 -5.675 1.00 64.51 H new ATOM 0 HG21 VAL A 40 3.657 -1.769 -8.120 1.00 61.41 H new ATOM 0 HG22 VAL A 40 4.532 -2.136 -6.614 1.00 61.41 H new ATOM 0 HG23 VAL A 40 5.120 -2.781 -8.165 1.00 61.41 H new ATOM 612 N GLN A 41 3.480 -6.915 -5.342 1.00 62.34 N ATOM 613 CA GLN A 41 2.690 -8.123 -5.003 1.00 33.32 C ATOM 614 C GLN A 41 1.333 -7.721 -4.374 1.00 5.03 C ATOM 615 O GLN A 41 1.303 -7.115 -3.296 1.00 64.51 O ATOM 616 CB GLN A 41 3.494 -9.014 -4.023 1.00 11.23 C ATOM 617 CG GLN A 41 4.889 -9.428 -4.534 1.00 71.24 C ATOM 618 CD GLN A 41 5.711 -10.166 -3.474 1.00 35.05 C ATOM 619 OE1 GLN A 41 5.645 -11.384 -3.351 1.00 45.50 O ATOM 620 NE2 GLN A 41 6.476 -9.434 -2.688 1.00 25.30 N ATOM 0 H GLN A 41 4.175 -6.671 -4.636 1.00 62.34 H new ATOM 0 HA GLN A 41 2.492 -8.685 -5.915 1.00 33.32 H new ATOM 0 HB2 GLN A 41 3.610 -8.481 -3.079 1.00 11.23 H new ATOM 0 HB3 GLN A 41 2.916 -9.914 -3.812 1.00 11.23 H new ATOM 0 HG2 GLN A 41 4.776 -10.067 -5.410 1.00 71.24 H new ATOM 0 HG3 GLN A 41 5.432 -8.539 -4.856 1.00 71.24 H new ATOM 0 HE21 GLN A 41 6.513 -8.422 -2.811 1.00 25.30 H new ATOM 0 HE22 GLN A 41 7.030 -9.880 -1.957 1.00 25.30 H new ATOM 629 N LEU A 42 0.218 -8.031 -5.068 1.00 44.01 N ATOM 630 CA LEU A 42 -1.150 -7.700 -4.598 1.00 3.30 C ATOM 631 C LEU A 42 -1.935 -8.965 -4.183 1.00 22.13 C ATOM 632 O LEU A 42 -2.379 -9.749 -5.032 1.00 2.42 O ATOM 633 CB LEU A 42 -1.936 -6.915 -5.685 1.00 13.32 C ATOM 634 CG LEU A 42 -1.436 -5.470 -6.003 1.00 32.52 C ATOM 635 CD1 LEU A 42 -2.433 -4.728 -6.917 1.00 53.53 C ATOM 636 CD2 LEU A 42 -1.174 -4.671 -4.709 1.00 41.02 C ATOM 0 H LEU A 42 0.236 -8.515 -5.966 1.00 44.01 H new ATOM 0 HA LEU A 42 -1.042 -7.068 -3.717 1.00 3.30 H new ATOM 0 HB2 LEU A 42 -1.912 -7.495 -6.608 1.00 13.32 H new ATOM 0 HB3 LEU A 42 -2.979 -6.854 -5.374 1.00 13.32 H new ATOM 0 HG LEU A 42 -0.490 -5.557 -6.537 1.00 32.52 H new ATOM 0 HD11 LEU A 42 -2.061 -3.724 -7.123 1.00 53.53 H new ATOM 0 HD12 LEU A 42 -2.543 -5.274 -7.854 1.00 53.53 H new ATOM 0 HD13 LEU A 42 -3.401 -4.661 -6.421 1.00 53.53 H new ATOM 0 HD21 LEU A 42 -0.827 -3.670 -4.964 1.00 41.02 H new ATOM 0 HD22 LEU A 42 -2.096 -4.600 -4.132 1.00 41.02 H new ATOM 0 HD23 LEU A 42 -0.413 -5.178 -4.116 1.00 41.02 H new ATOM 648 N GLU A 43 -2.068 -9.167 -2.864 1.00 12.01 N ATOM 649 CA GLU A 43 -2.893 -10.239 -2.274 1.00 24.31 C ATOM 650 C GLU A 43 -4.354 -9.760 -2.086 1.00 23.12 C ATOM 651 O GLU A 43 -4.663 -9.037 -1.135 1.00 35.40 O ATOM 652 CB GLU A 43 -2.280 -10.704 -0.908 1.00 3.31 C ATOM 653 CG GLU A 43 -0.982 -11.553 -1.011 1.00 42.32 C ATOM 654 CD GLU A 43 0.239 -10.804 -1.607 1.00 3.41 C ATOM 655 OE1 GLU A 43 0.944 -10.101 -0.854 1.00 70.54 O ATOM 656 OE2 GLU A 43 0.505 -10.929 -2.824 1.00 2.30 O ATOM 0 H GLU A 43 -1.602 -8.586 -2.167 1.00 12.01 H new ATOM 0 HA GLU A 43 -2.901 -11.089 -2.956 1.00 24.31 H new ATOM 0 HB2 GLU A 43 -2.069 -9.821 -0.305 1.00 3.31 H new ATOM 0 HB3 GLU A 43 -3.031 -11.284 -0.371 1.00 3.31 H new ATOM 0 HG2 GLU A 43 -0.720 -11.913 -0.016 1.00 42.32 H new ATOM 0 HG3 GLU A 43 -1.186 -12.431 -1.624 1.00 42.32 H new ATOM 663 N GLN A 44 -5.239 -10.127 -3.038 1.00 4.55 N ATOM 664 CA GLN A 44 -6.702 -9.898 -2.925 1.00 32.35 C ATOM 665 C GLN A 44 -7.432 -11.187 -2.477 1.00 61.24 C ATOM 666 O GLN A 44 -7.196 -12.273 -3.020 1.00 63.14 O ATOM 667 CB GLN A 44 -7.317 -9.373 -4.265 1.00 62.14 C ATOM 668 CG GLN A 44 -7.098 -7.868 -4.567 1.00 75.31 C ATOM 669 CD GLN A 44 -5.656 -7.476 -4.880 1.00 55.31 C ATOM 670 OE1 GLN A 44 -4.897 -8.258 -5.434 1.00 73.53 O ATOM 671 NE2 GLN A 44 -5.271 -6.260 -4.531 1.00 62.53 N ATOM 0 H GLN A 44 -4.964 -10.589 -3.905 1.00 4.55 H new ATOM 0 HA GLN A 44 -6.844 -9.129 -2.166 1.00 32.35 H new ATOM 0 HB2 GLN A 44 -6.897 -9.953 -5.087 1.00 62.14 H new ATOM 0 HB3 GLN A 44 -8.389 -9.569 -4.251 1.00 62.14 H new ATOM 0 HG2 GLN A 44 -7.727 -7.587 -5.412 1.00 75.31 H new ATOM 0 HG3 GLN A 44 -7.439 -7.287 -3.710 1.00 75.31 H new ATOM 0 HE21 GLN A 44 -5.927 -5.630 -4.070 1.00 62.53 H new ATOM 0 HE22 GLN A 44 -4.318 -5.952 -4.723 1.00 62.53 H new ATOM 680 N ALA A 45 -8.312 -11.043 -1.472 1.00 51.31 N ATOM 681 CA ALA A 45 -9.181 -12.134 -0.969 1.00 31.41 C ATOM 682 C ALA A 45 -10.484 -11.552 -0.364 1.00 41.04 C ATOM 683 O ALA A 45 -11.592 -11.998 -0.680 1.00 13.51 O ATOM 684 CB ALA A 45 -8.424 -12.983 0.073 1.00 52.25 C ATOM 0 H ALA A 45 -8.446 -10.161 -0.978 1.00 51.31 H new ATOM 0 HA ALA A 45 -9.453 -12.779 -1.805 1.00 31.41 H new ATOM 0 HB1 ALA A 45 -9.074 -13.780 0.434 1.00 52.25 H new ATOM 0 HB2 ALA A 45 -7.537 -13.418 -0.387 1.00 52.25 H new ATOM 0 HB3 ALA A 45 -8.126 -12.351 0.910 1.00 52.25 H new ATOM 690 N GLY A 46 -10.325 -10.545 0.508 1.00 61.54 N ATOM 691 CA GLY A 46 -11.449 -9.863 1.171 1.00 1.45 C ATOM 692 C GLY A 46 -11.082 -9.453 2.595 1.00 43.20 C ATOM 693 O GLY A 46 -10.701 -10.320 3.390 1.00 63.11 O ATOM 0 H GLY A 46 -9.411 -10.179 0.775 1.00 61.54 H new ATOM 0 HA2 GLY A 46 -11.732 -8.981 0.597 1.00 1.45 H new ATOM 0 HA3 GLY A 46 -12.317 -10.522 1.192 1.00 1.45 H new ATOM 697 N ALA A 47 -11.180 -8.133 2.898 1.00 52.21 N ATOM 698 CA ALA A 47 -10.754 -7.518 4.191 1.00 62.23 C ATOM 699 C ALA A 47 -9.206 -7.527 4.368 1.00 20.53 C ATOM 700 O ALA A 47 -8.577 -6.459 4.414 1.00 40.31 O ATOM 701 CB ALA A 47 -11.475 -8.142 5.407 1.00 63.24 C ATOM 0 H ALA A 47 -11.563 -7.451 2.243 1.00 52.21 H new ATOM 0 HA ALA A 47 -11.062 -6.473 4.147 1.00 62.23 H new ATOM 0 HB1 ALA A 47 -11.130 -7.660 6.322 1.00 63.24 H new ATOM 0 HB2 ALA A 47 -12.551 -7.999 5.305 1.00 63.24 H new ATOM 0 HB3 ALA A 47 -11.254 -9.208 5.453 1.00 63.24 H new ATOM 707 N ARG A 48 -8.599 -8.734 4.483 1.00 20.03 N ATOM 708 CA ARG A 48 -7.131 -8.890 4.554 1.00 24.40 C ATOM 709 C ARG A 48 -6.498 -8.782 3.146 1.00 54.54 C ATOM 710 O ARG A 48 -6.481 -9.755 2.380 1.00 42.13 O ATOM 711 CB ARG A 48 -6.728 -10.230 5.225 1.00 23.04 C ATOM 712 CG ARG A 48 -5.199 -10.361 5.481 1.00 72.43 C ATOM 713 CD ARG A 48 -4.812 -11.684 6.163 1.00 20.24 C ATOM 714 NE ARG A 48 -5.131 -12.845 5.320 1.00 62.12 N ATOM 715 CZ ARG A 48 -4.898 -14.101 5.617 1.00 32.24 C ATOM 716 NH1 ARG A 48 -4.303 -14.439 6.715 1.00 41.35 N ATOM 717 NH2 ARG A 48 -5.251 -15.019 4.787 1.00 53.43 N ATOM 0 H ARG A 48 -9.110 -9.616 4.528 1.00 20.03 H new ATOM 0 HA ARG A 48 -6.748 -8.079 5.173 1.00 24.40 H new ATOM 0 HB2 ARG A 48 -7.257 -10.326 6.173 1.00 23.04 H new ATOM 0 HB3 ARG A 48 -7.055 -11.056 4.593 1.00 23.04 H new ATOM 0 HG2 ARG A 48 -4.670 -10.280 4.532 1.00 72.43 H new ATOM 0 HG3 ARG A 48 -4.868 -9.529 6.102 1.00 72.43 H new ATOM 0 HD2 ARG A 48 -3.745 -11.679 6.387 1.00 20.24 H new ATOM 0 HD3 ARG A 48 -5.337 -11.770 7.114 1.00 20.24 H new ATOM 0 HE ARG A 48 -5.575 -12.656 4.421 1.00 62.12 H new ATOM 0 HH11 ARG A 48 -4.003 -13.721 7.374 1.00 41.35 H new ATOM 0 HH12 ARG A 48 -4.134 -15.424 6.921 1.00 41.35 H new ATOM 0 HH21 ARG A 48 -5.706 -14.766 3.910 1.00 53.43 H new ATOM 0 HH22 ARG A 48 -5.075 -16.000 5.006 1.00 53.43 H new ATOM 731 N GLN A 49 -6.027 -7.574 2.807 1.00 41.15 N ATOM 732 CA GLN A 49 -5.338 -7.289 1.528 1.00 53.35 C ATOM 733 C GLN A 49 -3.889 -6.863 1.811 1.00 33.10 C ATOM 734 O GLN A 49 -3.641 -6.076 2.730 1.00 12.43 O ATOM 735 CB GLN A 49 -6.067 -6.154 0.758 1.00 14.11 C ATOM 736 CG GLN A 49 -7.589 -6.314 0.661 1.00 52.15 C ATOM 737 CD GLN A 49 -8.027 -7.489 -0.204 1.00 3.22 C ATOM 738 OE1 GLN A 49 -8.243 -8.593 0.270 1.00 40.12 O ATOM 739 NE2 GLN A 49 -8.143 -7.259 -1.494 1.00 75.53 N ATOM 0 H GLN A 49 -6.111 -6.758 3.413 1.00 41.15 H new ATOM 0 HA GLN A 49 -5.347 -8.191 0.917 1.00 53.35 H new ATOM 0 HB2 GLN A 49 -5.846 -5.204 1.245 1.00 14.11 H new ATOM 0 HB3 GLN A 49 -5.657 -6.098 -0.250 1.00 14.11 H new ATOM 0 HG2 GLN A 49 -7.997 -6.441 1.664 1.00 52.15 H new ATOM 0 HG3 GLN A 49 -8.017 -5.397 0.256 1.00 52.15 H new ATOM 0 HE21 GLN A 49 -7.957 -6.327 -1.865 1.00 75.53 H new ATOM 0 HE22 GLN A 49 -8.419 -8.012 -2.124 1.00 75.53 H new ATOM 748 N VAL A 50 -2.930 -7.376 1.025 1.00 65.42 N ATOM 749 CA VAL A 50 -1.502 -7.035 1.200 1.00 51.13 C ATOM 750 C VAL A 50 -0.913 -6.410 -0.091 1.00 53.34 C ATOM 751 O VAL A 50 -1.003 -6.984 -1.173 1.00 63.33 O ATOM 752 CB VAL A 50 -0.642 -8.284 1.627 1.00 2.45 C ATOM 753 CG1 VAL A 50 0.814 -7.868 1.939 1.00 33.04 C ATOM 754 CG2 VAL A 50 -1.274 -9.042 2.824 1.00 24.41 C ATOM 0 H VAL A 50 -3.113 -8.028 0.262 1.00 65.42 H new ATOM 0 HA VAL A 50 -1.455 -6.301 2.004 1.00 51.13 H new ATOM 0 HB VAL A 50 -0.628 -8.973 0.783 1.00 2.45 H new ATOM 0 HG11 VAL A 50 1.389 -8.747 2.232 1.00 33.04 H new ATOM 0 HG12 VAL A 50 1.262 -7.420 1.052 1.00 33.04 H new ATOM 0 HG13 VAL A 50 0.819 -7.144 2.753 1.00 33.04 H new ATOM 0 HG21 VAL A 50 -0.649 -9.896 3.085 1.00 24.41 H new ATOM 0 HG22 VAL A 50 -1.349 -8.372 3.680 1.00 24.41 H new ATOM 0 HG23 VAL A 50 -2.269 -9.392 2.549 1.00 24.41 H new ATOM 764 N LEU A 51 -0.345 -5.205 0.052 1.00 51.04 N ATOM 765 CA LEU A 51 0.480 -4.543 -0.977 1.00 52.54 C ATOM 766 C LEU A 51 1.957 -4.664 -0.572 1.00 41.42 C ATOM 767 O LEU A 51 2.350 -4.193 0.485 1.00 0.31 O ATOM 768 CB LEU A 51 0.015 -3.056 -1.129 1.00 11.25 C ATOM 769 CG LEU A 51 0.861 -2.040 -1.997 1.00 33.42 C ATOM 770 CD1 LEU A 51 1.964 -1.349 -1.171 1.00 44.40 C ATOM 771 CD2 LEU A 51 1.449 -2.705 -3.254 1.00 31.02 C ATOM 0 H LEU A 51 -0.446 -4.649 0.901 1.00 51.04 H new ATOM 0 HA LEU A 51 0.361 -5.019 -1.950 1.00 52.54 H new ATOM 0 HB2 LEU A 51 -0.993 -3.074 -1.544 1.00 11.25 H new ATOM 0 HB3 LEU A 51 -0.061 -2.638 -0.125 1.00 11.25 H new ATOM 0 HG LEU A 51 0.167 -1.267 -2.327 1.00 33.42 H new ATOM 0 HD11 LEU A 51 2.519 -0.661 -1.809 1.00 44.40 H new ATOM 0 HD12 LEU A 51 1.510 -0.796 -0.349 1.00 44.40 H new ATOM 0 HD13 LEU A 51 2.644 -2.101 -0.771 1.00 44.40 H new ATOM 0 HD21 LEU A 51 2.022 -1.971 -3.820 1.00 31.02 H new ATOM 0 HD22 LEU A 51 2.102 -3.526 -2.959 1.00 31.02 H new ATOM 0 HD23 LEU A 51 0.640 -3.090 -3.874 1.00 31.02 H new ATOM 783 N ARG A 52 2.773 -5.297 -1.421 1.00 2.32 N ATOM 784 CA ARG A 52 4.223 -5.426 -1.193 1.00 42.23 C ATOM 785 C ARG A 52 5.001 -4.757 -2.342 1.00 43.53 C ATOM 786 O ARG A 52 5.004 -5.269 -3.448 1.00 44.41 O ATOM 787 CB ARG A 52 4.604 -6.926 -1.068 1.00 33.11 C ATOM 788 CG ARG A 52 3.838 -7.678 0.037 1.00 13.43 C ATOM 789 CD ARG A 52 4.180 -9.173 0.109 1.00 11.20 C ATOM 790 NE ARG A 52 5.579 -9.413 0.501 1.00 72.24 N ATOM 791 CZ ARG A 52 6.111 -10.589 0.735 1.00 25.43 C ATOM 792 NH1 ARG A 52 5.428 -11.680 0.592 1.00 55.42 N ATOM 793 NH2 ARG A 52 7.343 -10.667 1.100 1.00 24.10 N ATOM 0 H ARG A 52 2.452 -5.735 -2.285 1.00 2.32 H new ATOM 0 HA ARG A 52 4.488 -4.922 -0.263 1.00 42.23 H new ATOM 0 HB2 ARG A 52 4.419 -7.418 -2.023 1.00 33.11 H new ATOM 0 HB3 ARG A 52 5.673 -7.003 -0.871 1.00 33.11 H new ATOM 0 HG2 ARG A 52 4.058 -7.216 1.000 1.00 13.43 H new ATOM 0 HG3 ARG A 52 2.767 -7.566 -0.133 1.00 13.43 H new ATOM 0 HD2 ARG A 52 3.517 -9.660 0.824 1.00 11.20 H new ATOM 0 HD3 ARG A 52 3.994 -9.632 -0.862 1.00 11.20 H new ATOM 0 HE ARG A 52 6.184 -8.598 0.599 1.00 72.24 H new ATOM 0 HH11 ARG A 52 4.454 -11.636 0.291 1.00 55.42 H new ATOM 0 HH12 ARG A 52 5.864 -12.583 0.780 1.00 55.42 H new ATOM 0 HH21 ARG A 52 7.898 -9.818 1.205 1.00 24.10 H new ATOM 0 HH22 ARG A 52 7.764 -11.578 1.284 1.00 24.10 H new ATOM 807 N VAL A 53 5.633 -3.594 -2.079 1.00 33.03 N ATOM 808 CA VAL A 53 6.503 -2.907 -3.066 1.00 42.14 C ATOM 809 C VAL A 53 7.982 -3.276 -2.814 1.00 2.14 C ATOM 810 O VAL A 53 8.613 -2.763 -1.881 1.00 62.21 O ATOM 811 CB VAL A 53 6.318 -1.336 -3.035 1.00 33.35 C ATOM 812 CG1 VAL A 53 7.289 -0.617 -4.018 1.00 32.11 C ATOM 813 CG2 VAL A 53 4.848 -0.945 -3.332 1.00 21.53 C ATOM 0 H VAL A 53 5.558 -3.106 -1.187 1.00 33.03 H new ATOM 0 HA VAL A 53 6.206 -3.248 -4.058 1.00 42.14 H new ATOM 0 HB VAL A 53 6.567 -1.002 -2.028 1.00 33.35 H new ATOM 0 HG11 VAL A 53 7.129 0.460 -3.965 1.00 32.11 H new ATOM 0 HG12 VAL A 53 8.319 -0.844 -3.743 1.00 32.11 H new ATOM 0 HG13 VAL A 53 7.100 -0.963 -5.034 1.00 32.11 H new ATOM 0 HG21 VAL A 53 4.747 0.140 -3.305 1.00 21.53 H new ATOM 0 HG22 VAL A 53 4.567 -1.311 -4.319 1.00 21.53 H new ATOM 0 HG23 VAL A 53 4.195 -1.389 -2.581 1.00 21.53 H new ATOM 823 N GLN A 54 8.511 -4.206 -3.625 1.00 21.41 N ATOM 824 CA GLN A 54 9.936 -4.590 -3.584 1.00 23.14 C ATOM 825 C GLN A 54 10.809 -3.449 -4.167 1.00 72.52 C ATOM 826 O GLN A 54 10.853 -3.245 -5.387 1.00 55.13 O ATOM 827 CB GLN A 54 10.155 -5.911 -4.366 1.00 73.22 C ATOM 828 CG GLN A 54 11.591 -6.476 -4.286 1.00 51.04 C ATOM 829 CD GLN A 54 11.782 -7.772 -5.081 1.00 4.31 C ATOM 830 OE1 GLN A 54 10.854 -8.555 -5.262 1.00 72.24 O ATOM 831 NE2 GLN A 54 12.992 -8.025 -5.541 1.00 45.52 N ATOM 0 H GLN A 54 7.968 -4.712 -4.325 1.00 21.41 H new ATOM 0 HA GLN A 54 10.234 -4.754 -2.548 1.00 23.14 H new ATOM 0 HB2 GLN A 54 9.462 -6.662 -3.986 1.00 73.22 H new ATOM 0 HB3 GLN A 54 9.902 -5.744 -5.413 1.00 73.22 H new ATOM 0 HG2 GLN A 54 12.290 -5.726 -4.656 1.00 51.04 H new ATOM 0 HG3 GLN A 54 11.844 -6.659 -3.242 1.00 51.04 H new ATOM 0 HE21 GLN A 54 13.748 -7.360 -5.379 1.00 45.52 H new ATOM 0 HE22 GLN A 54 13.171 -8.885 -6.059 1.00 45.52 H new ATOM 840 N GLY A 55 11.465 -2.687 -3.276 1.00 72.31 N ATOM 841 CA GLY A 55 12.257 -1.506 -3.664 1.00 65.43 C ATOM 842 C GLY A 55 11.883 -0.255 -2.864 1.00 74.22 C ATOM 843 O GLY A 55 11.763 0.845 -3.433 1.00 43.34 O ATOM 0 H GLY A 55 11.462 -2.870 -2.273 1.00 72.31 H new ATOM 0 HA2 GLY A 55 13.316 -1.721 -3.521 1.00 65.43 H new ATOM 0 HA3 GLY A 55 12.112 -1.310 -4.726 1.00 65.43 H new ATOM 847 N ALA A 56 11.687 -0.430 -1.533 1.00 55.30 N ATOM 848 CA ALA A 56 11.435 0.695 -0.598 1.00 64.20 C ATOM 849 C ALA A 56 12.644 1.655 -0.563 1.00 10.53 C ATOM 850 O ALA A 56 13.787 1.203 -0.414 1.00 70.41 O ATOM 851 CB ALA A 56 11.116 0.172 0.813 1.00 71.41 C ATOM 0 H ALA A 56 11.699 -1.345 -1.082 1.00 55.30 H new ATOM 0 HA ALA A 56 10.568 1.249 -0.959 1.00 64.20 H new ATOM 0 HB1 ALA A 56 10.935 1.014 1.481 1.00 71.41 H new ATOM 0 HB2 ALA A 56 10.228 -0.459 0.775 1.00 71.41 H new ATOM 0 HB3 ALA A 56 11.959 -0.411 1.184 1.00 71.41 H new ATOM 857 N ARG A 57 12.387 2.973 -0.692 1.00 74.41 N ATOM 858 CA ARG A 57 13.458 3.964 -0.947 1.00 11.52 C ATOM 859 C ARG A 57 13.020 5.427 -0.661 1.00 3.11 C ATOM 860 O ARG A 57 13.436 6.023 0.338 1.00 24.40 O ATOM 861 CB ARG A 57 13.953 3.832 -2.414 1.00 34.34 C ATOM 862 CG ARG A 57 15.320 4.488 -2.713 1.00 4.22 C ATOM 863 CD ARG A 57 15.640 4.509 -4.225 1.00 22.41 C ATOM 864 NE ARG A 57 15.224 3.264 -4.913 1.00 44.44 N ATOM 865 CZ ARG A 57 16.019 2.357 -5.439 1.00 34.13 C ATOM 866 NH1 ARG A 57 17.307 2.475 -5.392 1.00 54.41 N ATOM 867 NH2 ARG A 57 15.501 1.330 -6.013 1.00 4.00 N ATOM 0 H ARG A 57 11.453 3.376 -0.625 1.00 74.41 H new ATOM 0 HA ARG A 57 14.269 3.742 -0.253 1.00 11.52 H new ATOM 0 HB2 ARG A 57 14.014 2.773 -2.665 1.00 34.34 H new ATOM 0 HB3 ARG A 57 13.205 4.273 -3.073 1.00 34.34 H new ATOM 0 HG2 ARG A 57 15.323 5.508 -2.329 1.00 4.22 H new ATOM 0 HG3 ARG A 57 16.104 3.946 -2.185 1.00 4.22 H new ATOM 0 HD2 ARG A 57 15.139 5.360 -4.687 1.00 22.41 H new ATOM 0 HD3 ARG A 57 16.711 4.656 -4.364 1.00 22.41 H new ATOM 0 HE ARG A 57 14.221 3.093 -4.986 1.00 44.44 H new ATOM 0 HH11 ARG A 57 17.729 3.286 -4.939 1.00 54.41 H new ATOM 0 HH12 ARG A 57 17.900 1.757 -5.808 1.00 54.41 H new ATOM 0 HH21 ARG A 57 14.487 1.227 -6.056 1.00 4.00 H new ATOM 0 HH22 ARG A 57 16.104 0.618 -6.426 1.00 4.00 H new ATOM 881 N SER A 58 12.185 6.000 -1.562 1.00 12.11 N ATOM 882 CA SER A 58 11.818 7.447 -1.534 1.00 33.14 C ATOM 883 C SER A 58 10.501 7.709 -2.308 1.00 1.01 C ATOM 884 O SER A 58 9.549 8.274 -1.762 1.00 24.24 O ATOM 885 CB SER A 58 12.949 8.334 -2.141 1.00 21.44 C ATOM 886 OG SER A 58 14.173 8.221 -1.427 1.00 31.22 O ATOM 0 H SER A 58 11.748 5.482 -2.324 1.00 12.11 H new ATOM 0 HA SER A 58 11.678 7.714 -0.487 1.00 33.14 H new ATOM 0 HB2 SER A 58 13.111 8.049 -3.181 1.00 21.44 H new ATOM 0 HB3 SER A 58 12.628 9.376 -2.142 1.00 21.44 H new ATOM 0 HG SER A 58 14.850 8.793 -1.846 1.00 31.22 H new ATOM 892 N GLY A 59 10.469 7.304 -3.598 1.00 61.13 N ATOM 893 CA GLY A 59 9.284 7.500 -4.468 1.00 32.43 C ATOM 894 C GLY A 59 8.053 6.675 -4.048 1.00 22.13 C ATOM 895 O GLY A 59 6.915 6.993 -4.420 1.00 32.21 O ATOM 0 H GLY A 59 11.250 6.839 -4.061 1.00 61.13 H new ATOM 0 HA2 GLY A 59 9.017 8.557 -4.468 1.00 32.43 H new ATOM 0 HA3 GLY A 59 9.551 7.239 -5.492 1.00 32.43 H new ATOM 899 N ASP A 60 8.300 5.607 -3.272 1.00 13.11 N ATOM 900 CA ASP A 60 7.244 4.727 -2.701 1.00 42.13 C ATOM 901 C ASP A 60 6.629 5.349 -1.411 1.00 32.33 C ATOM 902 O ASP A 60 5.573 4.918 -0.951 1.00 62.45 O ATOM 903 CB ASP A 60 7.848 3.331 -2.390 1.00 4.04 C ATOM 904 CG ASP A 60 8.955 3.396 -1.340 1.00 61.14 C ATOM 905 OD1 ASP A 60 9.948 4.108 -1.584 1.00 33.15 O ATOM 906 OD2 ASP A 60 8.837 2.753 -0.276 1.00 30.11 O ATOM 0 H ASP A 60 9.245 5.320 -3.016 1.00 13.11 H new ATOM 0 HA ASP A 60 6.444 4.623 -3.434 1.00 42.13 H new ATOM 0 HB2 ASP A 60 7.058 2.666 -2.040 1.00 4.04 H new ATOM 0 HB3 ASP A 60 8.246 2.898 -3.308 1.00 4.04 H new ATOM 911 N ALA A 61 7.318 6.350 -0.825 1.00 4.22 N ATOM 912 CA ALA A 61 6.802 7.108 0.333 1.00 34.22 C ATOM 913 C ALA A 61 5.696 8.071 -0.128 1.00 72.13 C ATOM 914 O ALA A 61 5.968 9.022 -0.868 1.00 71.32 O ATOM 915 CB ALA A 61 7.935 7.889 1.028 1.00 1.42 C ATOM 0 H ALA A 61 8.240 6.654 -1.138 1.00 4.22 H new ATOM 0 HA ALA A 61 6.387 6.403 1.053 1.00 34.22 H new ATOM 0 HB1 ALA A 61 7.530 8.439 1.877 1.00 1.42 H new ATOM 0 HB2 ALA A 61 8.697 7.192 1.377 1.00 1.42 H new ATOM 0 HB3 ALA A 61 8.381 8.589 0.322 1.00 1.42 H new ATOM 921 N GLY A 62 4.450 7.797 0.284 1.00 4.22 N ATOM 922 CA GLY A 62 3.314 8.616 -0.127 1.00 3.21 C ATOM 923 C GLY A 62 1.962 8.063 0.302 1.00 72.54 C ATOM 924 O GLY A 62 1.892 7.100 1.076 1.00 40.23 O ATOM 0 H GLY A 62 4.210 7.018 0.898 1.00 4.22 H new ATOM 0 HA2 GLY A 62 3.433 9.617 0.287 1.00 3.21 H new ATOM 0 HA3 GLY A 62 3.326 8.716 -1.212 1.00 3.21 H new ATOM 928 N GLU A 63 0.882 8.692 -0.198 1.00 1.33 N ATOM 929 CA GLU A 63 -0.504 8.279 0.091 1.00 65.14 C ATOM 930 C GLU A 63 -0.925 7.101 -0.805 1.00 64.24 C ATOM 931 O GLU A 63 -1.026 7.233 -2.034 1.00 12.13 O ATOM 932 CB GLU A 63 -1.507 9.457 -0.096 1.00 14.23 C ATOM 933 CG GLU A 63 -1.488 10.533 1.011 1.00 70.21 C ATOM 934 CD GLU A 63 -0.141 11.258 1.171 1.00 5.22 C ATOM 935 OE1 GLU A 63 0.259 12.000 0.247 1.00 63.31 O ATOM 936 OE2 GLU A 63 0.527 11.086 2.208 1.00 20.31 O ATOM 0 H GLU A 63 0.946 9.502 -0.815 1.00 1.33 H new ATOM 0 HA GLU A 63 -0.530 7.965 1.134 1.00 65.14 H new ATOM 0 HB2 GLU A 63 -1.298 9.940 -1.051 1.00 14.23 H new ATOM 0 HB3 GLU A 63 -2.514 9.046 -0.161 1.00 14.23 H new ATOM 0 HG2 GLU A 63 -2.261 11.271 0.796 1.00 70.21 H new ATOM 0 HG3 GLU A 63 -1.750 10.065 1.960 1.00 70.21 H new ATOM 943 N TYR A 64 -1.142 5.955 -0.171 1.00 41.00 N ATOM 944 CA TYR A 64 -1.804 4.792 -0.779 1.00 12.30 C ATOM 945 C TYR A 64 -3.302 4.813 -0.421 1.00 54.35 C ATOM 946 O TYR A 64 -3.696 5.450 0.547 1.00 21.04 O ATOM 947 CB TYR A 64 -1.153 3.475 -0.294 1.00 32.22 C ATOM 948 CG TYR A 64 0.303 3.287 -0.747 1.00 32.35 C ATOM 949 CD1 TYR A 64 1.341 4.041 -0.186 1.00 74.43 C ATOM 950 CD2 TYR A 64 0.641 2.349 -1.729 1.00 21.34 C ATOM 951 CE1 TYR A 64 2.648 3.866 -0.592 1.00 51.15 C ATOM 952 CE2 TYR A 64 1.946 2.173 -2.134 1.00 44.53 C ATOM 953 CZ TYR A 64 2.946 2.925 -1.565 1.00 50.32 C ATOM 954 OH TYR A 64 4.246 2.746 -1.985 1.00 73.13 O ATOM 0 H TYR A 64 -0.861 5.798 0.797 1.00 41.00 H new ATOM 0 HA TYR A 64 -1.690 4.844 -1.862 1.00 12.30 H new ATOM 0 HB2 TYR A 64 -1.190 3.445 0.795 1.00 32.22 H new ATOM 0 HB3 TYR A 64 -1.746 2.635 -0.656 1.00 32.22 H new ATOM 0 HD1 TYR A 64 1.115 4.771 0.577 1.00 74.43 H new ATOM 0 HD2 TYR A 64 -0.137 1.751 -2.179 1.00 21.34 H new ATOM 0 HE1 TYR A 64 3.436 4.460 -0.153 1.00 51.15 H new ATOM 0 HE2 TYR A 64 2.183 1.446 -2.897 1.00 44.53 H new ATOM 0 HH TYR A 64 4.787 3.517 -1.713 1.00 73.13 H new ATOM 964 N LEU A 65 -4.139 4.170 -1.235 1.00 44.22 N ATOM 965 CA LEU A 65 -5.575 4.004 -0.926 1.00 55.21 C ATOM 966 C LEU A 65 -6.004 2.547 -1.175 1.00 10.22 C ATOM 967 O LEU A 65 -6.121 2.110 -2.326 1.00 72.20 O ATOM 968 CB LEU A 65 -6.442 5.001 -1.753 1.00 2.14 C ATOM 969 CG LEU A 65 -7.998 4.841 -1.631 1.00 10.20 C ATOM 970 CD1 LEU A 65 -8.482 5.019 -0.173 1.00 3.53 C ATOM 971 CD2 LEU A 65 -8.731 5.802 -2.597 1.00 33.34 C ATOM 0 H LEU A 65 -3.853 3.751 -2.120 1.00 44.22 H new ATOM 0 HA LEU A 65 -5.735 4.232 0.128 1.00 55.21 H new ATOM 0 HB2 LEU A 65 -6.178 6.015 -1.451 1.00 2.14 H new ATOM 0 HB3 LEU A 65 -6.170 4.900 -2.804 1.00 2.14 H new ATOM 0 HG LEU A 65 -8.247 3.821 -1.924 1.00 10.20 H new ATOM 0 HD11 LEU A 65 -9.565 4.901 -0.132 1.00 3.53 H new ATOM 0 HD12 LEU A 65 -8.011 4.268 0.461 1.00 3.53 H new ATOM 0 HD13 LEU A 65 -8.212 6.014 0.181 1.00 3.53 H new ATOM 0 HD21 LEU A 65 -9.808 5.671 -2.493 1.00 33.34 H new ATOM 0 HD22 LEU A 65 -8.466 6.832 -2.357 1.00 33.34 H new ATOM 0 HD23 LEU A 65 -8.436 5.581 -3.623 1.00 33.34 H new ATOM 983 N CYS A 66 -6.191 1.786 -0.084 1.00 43.20 N ATOM 984 CA CYS A 66 -6.805 0.453 -0.153 1.00 74.25 C ATOM 985 C CYS A 66 -8.326 0.621 -0.367 1.00 54.03 C ATOM 986 O CYS A 66 -9.101 0.758 0.586 1.00 70.45 O ATOM 987 CB CYS A 66 -6.504 -0.372 1.112 1.00 11.33 C ATOM 988 SG CYS A 66 -7.004 -2.102 0.981 1.00 72.04 S ATOM 0 H CYS A 66 -5.924 2.074 0.858 1.00 43.20 H new ATOM 0 HA CYS A 66 -6.379 -0.098 -0.991 1.00 74.25 H new ATOM 0 HB2 CYS A 66 -5.435 -0.326 1.320 1.00 11.33 H new ATOM 0 HB3 CYS A 66 -7.014 0.082 1.962 1.00 11.33 H new ATOM 0 HG CYS A 66 -5.947 -2.856 0.919 1.00 72.04 H new ATOM 994 N ASP A 67 -8.712 0.681 -1.649 1.00 41.32 N ATOM 995 CA ASP A 67 -10.083 0.967 -2.097 1.00 62.01 C ATOM 996 C ASP A 67 -11.017 -0.252 -1.888 1.00 33.44 C ATOM 997 O ASP A 67 -11.098 -1.148 -2.736 1.00 13.42 O ATOM 998 CB ASP A 67 -10.032 1.407 -3.581 1.00 32.01 C ATOM 999 CG ASP A 67 -11.401 1.783 -4.161 1.00 4.12 C ATOM 1000 OD1 ASP A 67 -11.825 2.945 -4.000 1.00 4.22 O ATOM 1001 OD2 ASP A 67 -12.065 0.915 -4.761 1.00 2.33 O ATOM 0 H ASP A 67 -8.064 0.528 -2.422 1.00 41.32 H new ATOM 0 HA ASP A 67 -10.503 1.774 -1.496 1.00 62.01 H new ATOM 0 HB2 ASP A 67 -9.361 2.261 -3.675 1.00 32.01 H new ATOM 0 HB3 ASP A 67 -9.605 0.599 -4.176 1.00 32.01 H new ATOM 1006 N ALA A 68 -11.683 -0.295 -0.726 1.00 70.35 N ATOM 1007 CA ALA A 68 -12.649 -1.361 -0.384 1.00 33.12 C ATOM 1008 C ALA A 68 -14.099 -0.928 -0.697 1.00 45.25 C ATOM 1009 O ALA A 68 -14.419 0.260 -0.588 1.00 61.21 O ATOM 1010 CB ALA A 68 -12.497 -1.740 1.092 1.00 52.22 C ATOM 0 H ALA A 68 -11.571 0.406 0.007 1.00 70.35 H new ATOM 0 HA ALA A 68 -12.434 -2.235 -0.999 1.00 33.12 H new ATOM 0 HB1 ALA A 68 -13.210 -2.526 1.341 1.00 52.22 H new ATOM 0 HB2 ALA A 68 -11.484 -2.099 1.273 1.00 52.22 H new ATOM 0 HB3 ALA A 68 -12.689 -0.866 1.714 1.00 52.22 H new ATOM 1016 N PRO A 69 -15.010 -1.892 -1.079 1.00 0.52 N ATOM 1017 CA PRO A 69 -16.433 -1.579 -1.418 1.00 43.14 C ATOM 1018 C PRO A 69 -17.253 -1.027 -0.217 1.00 73.41 C ATOM 1019 O PRO A 69 -18.275 -0.358 -0.408 1.00 51.45 O ATOM 1020 CB PRO A 69 -16.989 -2.950 -1.905 1.00 52.53 C ATOM 1021 CG PRO A 69 -16.107 -3.968 -1.243 1.00 31.21 C ATOM 1022 CD PRO A 69 -14.728 -3.351 -1.237 1.00 65.41 C ATOM 0 HA PRO A 69 -16.506 -0.784 -2.160 1.00 43.14 H new ATOM 0 HB2 PRO A 69 -18.032 -3.081 -1.617 1.00 52.53 H new ATOM 0 HB3 PRO A 69 -16.946 -3.033 -2.991 1.00 52.53 H new ATOM 0 HG2 PRO A 69 -16.446 -4.184 -0.230 1.00 31.21 H new ATOM 0 HG3 PRO A 69 -16.114 -4.911 -1.790 1.00 31.21 H new ATOM 0 HD2 PRO A 69 -14.118 -3.735 -0.419 1.00 65.41 H new ATOM 0 HD3 PRO A 69 -14.189 -3.560 -2.161 1.00 65.41 H new ATOM 1030 N GLN A 70 -16.788 -1.309 1.019 1.00 54.34 N ATOM 1031 CA GLN A 70 -17.474 -0.881 2.264 1.00 53.23 C ATOM 1032 C GLN A 70 -16.655 0.173 3.049 1.00 53.34 C ATOM 1033 O GLN A 70 -17.182 1.240 3.391 1.00 41.45 O ATOM 1034 CB GLN A 70 -17.776 -2.119 3.150 1.00 45.34 C ATOM 1035 CG GLN A 70 -18.706 -3.164 2.494 1.00 4.43 C ATOM 1036 CD GLN A 70 -20.120 -2.637 2.219 1.00 51.12 C ATOM 1037 OE1 GLN A 70 -20.640 -1.790 2.946 1.00 63.14 O ATOM 1038 NE2 GLN A 70 -20.750 -3.120 1.167 1.00 74.13 N ATOM 0 H GLN A 70 -15.931 -1.837 1.185 1.00 54.34 H new ATOM 0 HA GLN A 70 -18.412 -0.403 1.982 1.00 53.23 H new ATOM 0 HB2 GLN A 70 -16.834 -2.602 3.411 1.00 45.34 H new ATOM 0 HB3 GLN A 70 -18.230 -1.781 4.082 1.00 45.34 H new ATOM 0 HG2 GLN A 70 -18.262 -3.496 1.556 1.00 4.43 H new ATOM 0 HG3 GLN A 70 -18.772 -4.038 3.142 1.00 4.43 H new ATOM 0 HE21 GLN A 70 -20.299 -3.821 0.580 1.00 74.13 H new ATOM 0 HE22 GLN A 70 -21.689 -2.793 0.940 1.00 74.13 H new ATOM 1047 N ASP A 71 -15.366 -0.114 3.314 1.00 20.43 N ATOM 1048 CA ASP A 71 -14.499 0.772 4.121 1.00 31.01 C ATOM 1049 C ASP A 71 -13.089 0.905 3.498 1.00 11.31 C ATOM 1050 O ASP A 71 -12.238 0.035 3.684 1.00 11.42 O ATOM 1051 CB ASP A 71 -14.417 0.226 5.570 1.00 74.02 C ATOM 1052 CG ASP A 71 -13.526 1.073 6.488 1.00 71.31 C ATOM 1053 OD1 ASP A 71 -13.871 2.241 6.727 1.00 13.24 O ATOM 1054 OD2 ASP A 71 -12.472 0.580 6.953 1.00 1.51 O ATOM 0 H ASP A 71 -14.898 -0.957 2.980 1.00 20.43 H new ATOM 0 HA ASP A 71 -14.935 1.771 4.137 1.00 31.01 H new ATOM 0 HB2 ASP A 71 -15.421 0.180 5.991 1.00 74.02 H new ATOM 0 HB3 ASP A 71 -14.035 -0.795 5.545 1.00 74.02 H new ATOM 1059 N SER A 72 -12.863 1.990 2.735 1.00 32.21 N ATOM 1060 CA SER A 72 -11.549 2.288 2.110 1.00 75.22 C ATOM 1061 C SER A 72 -10.629 3.038 3.102 1.00 44.22 C ATOM 1062 O SER A 72 -11.097 3.885 3.872 1.00 34.02 O ATOM 1063 CB SER A 72 -11.748 3.125 0.824 1.00 2.10 C ATOM 1064 OG SER A 72 -12.411 4.349 1.099 1.00 32.31 O ATOM 0 H SER A 72 -13.580 2.687 2.531 1.00 32.21 H new ATOM 0 HA SER A 72 -11.071 1.345 1.846 1.00 75.22 H new ATOM 0 HB2 SER A 72 -10.779 3.329 0.368 1.00 2.10 H new ATOM 0 HB3 SER A 72 -12.327 2.551 0.101 1.00 2.10 H new ATOM 0 HG SER A 72 -12.520 4.856 0.267 1.00 32.31 H new ATOM 1070 N ARG A 73 -9.316 2.719 3.089 1.00 71.21 N ATOM 1071 CA ARG A 73 -8.327 3.306 4.038 1.00 51.13 C ATOM 1072 C ARG A 73 -7.077 3.852 3.314 1.00 21.03 C ATOM 1073 O ARG A 73 -6.477 3.173 2.475 1.00 63.44 O ATOM 1074 CB ARG A 73 -7.936 2.256 5.128 1.00 62.34 C ATOM 1075 CG ARG A 73 -9.065 1.985 6.157 1.00 52.31 C ATOM 1076 CD ARG A 73 -9.400 3.247 6.991 1.00 61.21 C ATOM 1077 NE ARG A 73 -10.773 3.237 7.520 1.00 42.12 N ATOM 1078 CZ ARG A 73 -11.428 4.300 7.940 1.00 24.25 C ATOM 1079 NH1 ARG A 73 -10.883 5.478 7.933 1.00 51.15 N ATOM 1080 NH2 ARG A 73 -12.640 4.179 8.345 1.00 65.45 N ATOM 0 H ARG A 73 -8.909 2.055 2.430 1.00 71.21 H new ATOM 0 HA ARG A 73 -8.801 4.158 4.526 1.00 51.13 H new ATOM 0 HB2 ARG A 73 -7.668 1.319 4.640 1.00 62.34 H new ATOM 0 HB3 ARG A 73 -7.049 2.605 5.657 1.00 62.34 H new ATOM 0 HG2 ARG A 73 -9.960 1.647 5.634 1.00 52.31 H new ATOM 0 HG3 ARG A 73 -8.762 1.178 6.825 1.00 52.31 H new ATOM 0 HD2 ARG A 73 -8.697 3.325 7.821 1.00 61.21 H new ATOM 0 HD3 ARG A 73 -9.261 4.133 6.371 1.00 61.21 H new ATOM 0 HE ARG A 73 -11.254 2.339 7.565 1.00 42.12 H new ATOM 0 HH11 ARG A 73 -9.927 5.596 7.597 1.00 51.15 H new ATOM 0 HH12 ARG A 73 -11.411 6.286 8.263 1.00 51.15 H new ATOM 0 HH21 ARG A 73 -13.090 3.264 8.340 1.00 65.45 H new ATOM 0 HH22 ARG A 73 -13.153 4.998 8.671 1.00 65.45 H new ATOM 1094 N ILE A 74 -6.699 5.094 3.680 1.00 51.50 N ATOM 1095 CA ILE A 74 -5.515 5.800 3.147 1.00 31.35 C ATOM 1096 C ILE A 74 -4.269 5.464 4.005 1.00 21.43 C ATOM 1097 O ILE A 74 -4.322 5.541 5.224 1.00 3.00 O ATOM 1098 CB ILE A 74 -5.722 7.381 3.124 1.00 71.23 C ATOM 1099 CG1 ILE A 74 -6.849 7.822 2.112 1.00 64.33 C ATOM 1100 CG2 ILE A 74 -4.390 8.132 2.831 1.00 20.14 C ATOM 1101 CD1 ILE A 74 -8.279 7.577 2.572 1.00 25.23 C ATOM 0 H ILE A 74 -7.216 5.644 4.366 1.00 51.50 H new ATOM 0 HA ILE A 74 -5.370 5.461 2.121 1.00 31.35 H new ATOM 0 HB ILE A 74 -6.054 7.662 4.123 1.00 71.23 H new ATOM 0 HG12 ILE A 74 -6.730 8.886 1.905 1.00 64.33 H new ATOM 0 HG13 ILE A 74 -6.694 7.295 1.171 1.00 64.33 H new ATOM 0 HG21 ILE A 74 -4.572 9.207 2.824 1.00 20.14 H new ATOM 0 HG22 ILE A 74 -3.660 7.893 3.604 1.00 20.14 H new ATOM 0 HG23 ILE A 74 -4.004 7.823 1.860 1.00 20.14 H new ATOM 0 HD11 ILE A 74 -8.972 7.916 1.802 1.00 25.23 H new ATOM 0 HD12 ILE A 74 -8.427 6.512 2.749 1.00 25.23 H new ATOM 0 HD13 ILE A 74 -8.464 8.127 3.495 1.00 25.23 H new ATOM 1113 N PHE A 75 -3.154 5.105 3.356 1.00 44.23 N ATOM 1114 CA PHE A 75 -1.861 4.875 4.029 1.00 21.14 C ATOM 1115 C PHE A 75 -0.937 6.090 3.863 1.00 55.32 C ATOM 1116 O PHE A 75 -0.477 6.377 2.758 1.00 42.30 O ATOM 1117 CB PHE A 75 -1.159 3.618 3.468 1.00 22.43 C ATOM 1118 CG PHE A 75 -1.662 2.307 4.029 1.00 73.11 C ATOM 1119 CD1 PHE A 75 -2.802 1.705 3.521 1.00 43.51 C ATOM 1120 CD2 PHE A 75 -0.976 1.672 5.058 1.00 50.53 C ATOM 1121 CE1 PHE A 75 -3.230 0.502 4.020 1.00 51.42 C ATOM 1122 CE2 PHE A 75 -1.405 0.460 5.550 1.00 2.13 C ATOM 1123 CZ PHE A 75 -2.530 -0.123 5.036 1.00 54.32 C ATOM 0 H PHE A 75 -3.119 4.964 2.346 1.00 44.23 H new ATOM 0 HA PHE A 75 -2.067 4.722 5.088 1.00 21.14 H new ATOM 0 HB2 PHE A 75 -1.281 3.604 2.385 1.00 22.43 H new ATOM 0 HB3 PHE A 75 -0.090 3.696 3.668 1.00 22.43 H new ATOM 0 HD1 PHE A 75 -3.356 2.186 2.728 1.00 43.51 H new ATOM 0 HD2 PHE A 75 -0.095 2.136 5.477 1.00 50.53 H new ATOM 0 HE1 PHE A 75 -4.119 0.040 3.617 1.00 51.42 H new ATOM 0 HE2 PHE A 75 -0.854 -0.029 6.340 1.00 2.13 H new ATOM 0 HZ PHE A 75 -2.872 -1.071 5.423 1.00 54.32 H new ATOM 1133 N LEU A 76 -0.682 6.800 4.972 1.00 14.11 N ATOM 1134 CA LEU A 76 0.379 7.813 5.027 1.00 71.24 C ATOM 1135 C LEU A 76 1.721 7.080 5.292 1.00 31.22 C ATOM 1136 O LEU A 76 2.048 6.759 6.442 1.00 13.11 O ATOM 1137 CB LEU A 76 0.068 8.860 6.140 1.00 22.03 C ATOM 1138 CG LEU A 76 -1.371 9.485 6.123 1.00 30.24 C ATOM 1139 CD1 LEU A 76 -1.544 10.530 7.250 1.00 42.04 C ATOM 1140 CD2 LEU A 76 -1.724 10.082 4.739 1.00 52.21 C ATOM 0 H LEU A 76 -1.199 6.690 5.845 1.00 14.11 H new ATOM 0 HA LEU A 76 0.443 8.359 4.086 1.00 71.24 H new ATOM 0 HB2 LEU A 76 0.224 8.386 7.109 1.00 22.03 H new ATOM 0 HB3 LEU A 76 0.794 9.669 6.061 1.00 22.03 H new ATOM 0 HG LEU A 76 -2.076 8.675 6.312 1.00 30.24 H new ATOM 0 HD11 LEU A 76 -2.552 10.944 7.211 1.00 42.04 H new ATOM 0 HD12 LEU A 76 -1.386 10.052 8.217 1.00 42.04 H new ATOM 0 HD13 LEU A 76 -0.817 11.331 7.118 1.00 42.04 H new ATOM 0 HD21 LEU A 76 -2.728 10.504 4.770 1.00 52.21 H new ATOM 0 HD22 LEU A 76 -1.009 10.865 4.487 1.00 52.21 H new ATOM 0 HD23 LEU A 76 -1.684 9.297 3.983 1.00 52.21 H new ATOM 1152 N VAL A 77 2.449 6.746 4.210 1.00 44.23 N ATOM 1153 CA VAL A 77 3.724 5.994 4.292 1.00 20.21 C ATOM 1154 C VAL A 77 4.930 6.951 4.176 1.00 63.51 C ATOM 1155 O VAL A 77 5.078 7.650 3.171 1.00 72.44 O ATOM 1156 CB VAL A 77 3.813 4.881 3.178 1.00 33.13 C ATOM 1157 CG1 VAL A 77 5.181 4.133 3.217 1.00 23.00 C ATOM 1158 CG2 VAL A 77 2.628 3.886 3.301 1.00 71.00 C ATOM 0 H VAL A 77 2.175 6.986 3.257 1.00 44.23 H new ATOM 0 HA VAL A 77 3.750 5.504 5.265 1.00 20.21 H new ATOM 0 HB VAL A 77 3.745 5.377 2.210 1.00 33.13 H new ATOM 0 HG11 VAL A 77 5.203 3.374 2.435 1.00 23.00 H new ATOM 0 HG12 VAL A 77 5.990 4.845 3.055 1.00 23.00 H new ATOM 0 HG13 VAL A 77 5.307 3.656 4.189 1.00 23.00 H new ATOM 0 HG21 VAL A 77 2.708 3.126 2.523 1.00 71.00 H new ATOM 0 HG22 VAL A 77 2.655 3.407 4.280 1.00 71.00 H new ATOM 0 HG23 VAL A 77 1.687 4.425 3.186 1.00 71.00 H new ATOM 1168 N SER A 78 5.781 6.980 5.218 1.00 22.24 N ATOM 1169 CA SER A 78 7.020 7.794 5.241 1.00 22.31 C ATOM 1170 C SER A 78 8.261 6.883 5.379 1.00 14.01 C ATOM 1171 O SER A 78 8.461 6.222 6.411 1.00 2.44 O ATOM 1172 CB SER A 78 6.966 8.834 6.392 1.00 55.22 C ATOM 1173 OG SER A 78 6.853 8.215 7.661 1.00 51.15 O ATOM 0 H SER A 78 5.633 6.441 6.071 1.00 22.24 H new ATOM 0 HA SER A 78 7.098 8.336 4.298 1.00 22.31 H new ATOM 0 HB2 SER A 78 7.866 9.449 6.367 1.00 55.22 H new ATOM 0 HB3 SER A 78 6.119 9.502 6.238 1.00 55.22 H new ATOM 0 HG SER A 78 7.616 8.472 8.219 1.00 51.15 H new ATOM 1179 N VAL A 79 9.078 6.826 4.312 1.00 10.01 N ATOM 1180 CA VAL A 79 10.329 6.046 4.298 1.00 72.40 C ATOM 1181 C VAL A 79 11.479 6.903 4.883 1.00 3.03 C ATOM 1182 O VAL A 79 11.950 7.861 4.256 1.00 64.20 O ATOM 1183 CB VAL A 79 10.683 5.553 2.846 1.00 24.11 C ATOM 1184 CG1 VAL A 79 11.944 4.655 2.845 1.00 54.04 C ATOM 1185 CG2 VAL A 79 9.478 4.823 2.198 1.00 72.23 C ATOM 0 H VAL A 79 8.891 7.317 3.438 1.00 10.01 H new ATOM 0 HA VAL A 79 10.192 5.159 4.916 1.00 72.40 H new ATOM 0 HB VAL A 79 10.907 6.434 2.244 1.00 24.11 H new ATOM 0 HG11 VAL A 79 12.160 4.332 1.827 1.00 54.04 H new ATOM 0 HG12 VAL A 79 12.792 5.218 3.235 1.00 54.04 H new ATOM 0 HG13 VAL A 79 11.769 3.781 3.473 1.00 54.04 H new ATOM 0 HG21 VAL A 79 9.749 4.493 1.195 1.00 72.23 H new ATOM 0 HG22 VAL A 79 9.207 3.958 2.804 1.00 72.23 H new ATOM 0 HG23 VAL A 79 8.629 5.504 2.138 1.00 72.23 H new ATOM 1195 N GLU A 80 11.895 6.548 6.106 1.00 61.20 N ATOM 1196 CA GLU A 80 12.901 7.288 6.900 1.00 64.13 C ATOM 1197 C GLU A 80 13.965 6.313 7.450 1.00 62.13 C ATOM 1198 O GLU A 80 14.004 5.149 7.045 1.00 62.45 O ATOM 1199 CB GLU A 80 12.188 8.009 8.085 1.00 60.34 C ATOM 1200 CG GLU A 80 11.097 9.018 7.675 1.00 12.15 C ATOM 1201 CD GLU A 80 10.336 9.590 8.880 1.00 11.13 C ATOM 1202 OE1 GLU A 80 10.772 10.620 9.443 1.00 3.12 O ATOM 1203 OE2 GLU A 80 9.315 8.998 9.287 1.00 41.41 O ATOM 0 H GLU A 80 11.538 5.722 6.586 1.00 61.20 H new ATOM 0 HA GLU A 80 13.393 8.023 6.263 1.00 64.13 H new ATOM 0 HB2 GLU A 80 11.739 7.255 8.732 1.00 60.34 H new ATOM 0 HB3 GLU A 80 12.939 8.531 8.678 1.00 60.34 H new ATOM 0 HG2 GLU A 80 11.555 9.836 7.118 1.00 12.15 H new ATOM 0 HG3 GLU A 80 10.391 8.530 7.003 1.00 12.15 H new ATOM 1210 N GLU A 81 14.842 6.827 8.346 1.00 10.44 N ATOM 1211 CA GLU A 81 15.738 6.003 9.202 1.00 23.41 C ATOM 1212 C GLU A 81 16.709 5.114 8.349 1.00 54.23 C ATOM 1213 O GLU A 81 16.657 3.882 8.411 1.00 53.13 O ATOM 1214 CB GLU A 81 14.851 5.160 10.168 1.00 42.14 C ATOM 1215 CG GLU A 81 15.583 4.434 11.307 1.00 54.02 C ATOM 1216 CD GLU A 81 14.631 3.563 12.135 1.00 53.34 C ATOM 1217 OE1 GLU A 81 13.901 4.113 12.995 1.00 3.13 O ATOM 1218 OE2 GLU A 81 14.585 2.333 11.920 1.00 65.24 O ATOM 0 H GLU A 81 14.950 7.830 8.498 1.00 10.44 H new ATOM 0 HA GLU A 81 16.387 6.654 9.789 1.00 23.41 H new ATOM 0 HB2 GLU A 81 14.103 5.819 10.608 1.00 42.14 H new ATOM 0 HB3 GLU A 81 14.314 4.417 9.578 1.00 42.14 H new ATOM 0 HG2 GLU A 81 16.375 3.812 10.891 1.00 54.02 H new ATOM 0 HG3 GLU A 81 16.062 5.167 11.956 1.00 54.02 H new ATOM 1225 N PRO A 82 17.624 5.741 7.545 1.00 13.31 N ATOM 1226 CA PRO A 82 18.384 5.025 6.477 1.00 54.32 C ATOM 1227 C PRO A 82 19.361 3.910 7.007 1.00 71.40 C ATOM 1228 O PRO A 82 19.064 2.704 6.819 1.00 39.23 O ATOM 1229 CB PRO A 82 19.122 6.176 5.741 1.00 21.15 C ATOM 1230 CG PRO A 82 19.256 7.265 6.767 1.00 2.13 C ATOM 1231 CD PRO A 82 18.010 7.180 7.623 1.00 42.05 C ATOM 1232 OXT PRO A 82 20.408 4.236 7.610 1.00 39.23 O ATOM 0 HA PRO A 82 17.724 4.449 5.828 1.00 54.32 H new ATOM 0 HB2 PRO A 82 20.098 5.852 5.378 1.00 21.15 H new ATOM 0 HB3 PRO A 82 18.557 6.517 4.874 1.00 21.15 H new ATOM 0 HG2 PRO A 82 20.154 7.127 7.369 1.00 2.13 H new ATOM 0 HG3 PRO A 82 19.338 8.242 6.292 1.00 2.13 H new ATOM 0 HD2 PRO A 82 18.208 7.486 8.650 1.00 42.05 H new ATOM 0 HD3 PRO A 82 17.219 7.828 7.244 1.00 42.05 H new TER 1240 PRO A 82