USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 612 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 40 ASN : amide:sc= 1.19 K(o=2,f=-7.4!) USER MOD Set 1.2: A 45 SER OG : rot -170:sc= 0.769 USER MOD Single : A 6 LYS NZ :NH3+ -157:sc= -0.0725 (180deg=-0.537) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0173 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -1.29 X(o=-1.3,f=-1.7) USER MOD Single : A 28 TYR OH : rot 33:sc= 1.21 USER MOD Single : A 31 THR OG1 : rot 66:sc= 1.27 USER MOD Single : A 33 GLN : amide:sc= -1.85! K(o=-1.9!,f=-1.1) USER MOD Single : A 34 SER OG : rot 180:sc= 0.0492 USER MOD Single : A 35 GLN : amide:sc= 0.551 K(o=0.55,f=-7.8!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 177:sc= 0.963 (180deg=0.919) USER MOD Single : A 48 GLN : amide:sc= -3.44! K(o=-3.4!,f=-0.24) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.00752 USER MOD Single : A 58 TYR OH : rot 15:sc= -0.92 USER MOD Single : A 60 GLN : amide:sc= -0.823 K(o=-0.82,f=-0.04) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.00966 USER MOD Single : A 66 THR OG1 : rot 79:sc= 1.28 USER MOD Single : A 68 GLN : amide:sc= -0.471 X(o=-0.47,f=-0.22) USER MOD Single : A 71 SER OG : rot 79:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 77 N LYS A 6 -7.804 -10.022 0.581 1.00 0.00 N ATOM 78 CA LYS A 6 -6.395 -10.335 0.461 1.00 0.00 C ATOM 79 C LYS A 6 -5.807 -9.371 -0.559 1.00 0.00 C ATOM 80 O LYS A 6 -6.269 -9.320 -1.709 1.00 0.00 O ATOM 81 CB LYS A 6 -6.266 -11.787 -0.020 1.00 0.00 C ATOM 82 CG LYS A 6 -7.092 -12.779 0.819 1.00 0.00 C ATOM 83 CD LYS A 6 -6.528 -12.989 2.223 1.00 0.00 C ATOM 84 CE LYS A 6 -5.315 -13.913 2.209 1.00 0.00 C ATOM 85 NZ LYS A 6 -5.681 -15.278 1.770 1.00 0.00 N ATOM 0 HA LYS A 6 -5.866 -10.234 1.409 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -6.584 -11.848 -1.061 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -5.217 -12.081 0.010 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.117 -12.416 0.896 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.132 -13.738 0.302 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -6.248 -12.026 2.651 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.300 -13.411 2.866 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.554 -13.507 1.543 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.876 -13.955 3.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.979 -15.957 2.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.620 -15.523 2.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.701 -15.315 0.731 1.00 0.00 H new ATOM 99 N LEU A 7 -4.819 -8.606 -0.164 1.00 0.00 N ATOM 100 CA LEU A 7 -4.353 -7.534 -1.005 1.00 0.00 C ATOM 101 C LEU A 7 -2.913 -7.730 -1.430 1.00 0.00 C ATOM 102 O LEU A 7 -2.037 -8.043 -0.615 1.00 0.00 O ATOM 103 CB LEU A 7 -4.523 -6.199 -0.276 1.00 0.00 C ATOM 104 CG LEU A 7 -5.936 -5.892 0.244 1.00 0.00 C ATOM 105 CD1 LEU A 7 -5.956 -4.572 0.972 1.00 0.00 C ATOM 106 CD2 LEU A 7 -6.954 -5.893 -0.886 1.00 0.00 C ATOM 0 H LEU A 7 -4.327 -8.704 0.724 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.955 -7.532 -1.914 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.834 -6.178 0.568 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.224 -5.398 -0.952 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.213 -6.681 0.943 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.965 -4.371 1.333 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.269 -4.612 1.817 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.649 -3.777 0.292 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.943 -5.673 -0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.683 -5.135 -1.620 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.966 -6.873 -1.364 1.00 0.00 H new ATOM 118 N VAL A 8 -2.677 -7.571 -2.699 1.00 0.00 N ATOM 119 CA VAL A 8 -1.352 -7.670 -3.242 1.00 0.00 C ATOM 120 C VAL A 8 -0.914 -6.284 -3.693 1.00 0.00 C ATOM 121 O VAL A 8 -1.539 -5.682 -4.568 1.00 0.00 O ATOM 122 CB VAL A 8 -1.294 -8.674 -4.426 1.00 0.00 C ATOM 123 CG1 VAL A 8 0.118 -8.792 -4.973 1.00 0.00 C ATOM 124 CG2 VAL A 8 -1.806 -10.041 -3.990 1.00 0.00 C ATOM 0 H VAL A 8 -3.400 -7.368 -3.390 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.677 -8.047 -2.474 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.936 -8.294 -5.221 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.129 -9.501 -5.801 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.454 -7.817 -5.326 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.785 -9.143 -4.186 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.759 -10.733 -4.831 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.188 -10.418 -3.175 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.838 -9.952 -3.651 1.00 0.00 H new ATOM 134 N LEU A 9 0.113 -5.777 -3.069 1.00 0.00 N ATOM 135 CA LEU A 9 0.612 -4.442 -3.341 1.00 0.00 C ATOM 136 C LEU A 9 1.867 -4.536 -4.218 1.00 0.00 C ATOM 137 O LEU A 9 2.777 -5.291 -3.900 1.00 0.00 O ATOM 138 CB LEU A 9 0.950 -3.770 -1.999 1.00 0.00 C ATOM 139 CG LEU A 9 1.359 -2.295 -2.033 1.00 0.00 C ATOM 140 CD1 LEU A 9 0.198 -1.429 -2.482 1.00 0.00 C ATOM 141 CD2 LEU A 9 1.850 -1.850 -0.666 1.00 0.00 C ATOM 0 H LEU A 9 0.637 -6.276 -2.350 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.138 -3.853 -3.869 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.081 -3.864 -1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.759 -4.333 -1.535 1.00 0.00 H new ATOM 0 HG LEU A 9 2.172 -2.181 -2.750 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.509 -0.384 -2.500 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.116 -1.731 -3.481 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.634 -1.548 -1.788 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.137 -0.799 -0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.054 -1.981 0.067 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.712 -2.451 -0.376 1.00 0.00 H new ATOM 153 N ASP A 10 1.904 -3.804 -5.311 1.00 0.00 N ATOM 154 CA ASP A 10 3.080 -3.825 -6.206 1.00 0.00 C ATOM 155 C ASP A 10 4.126 -2.867 -5.666 1.00 0.00 C ATOM 156 O ASP A 10 3.950 -1.642 -5.726 1.00 0.00 O ATOM 157 CB ASP A 10 2.709 -3.412 -7.643 1.00 0.00 C ATOM 158 CG ASP A 10 3.833 -3.645 -8.658 1.00 0.00 C ATOM 159 OD1 ASP A 10 4.989 -3.293 -8.396 1.00 0.00 O ATOM 160 OD2 ASP A 10 3.546 -4.136 -9.770 1.00 0.00 O ATOM 0 H ASP A 10 1.150 -3.187 -5.614 1.00 0.00 H new ATOM 0 HA ASP A 10 3.467 -4.843 -6.238 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.827 -3.970 -7.956 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.438 -2.356 -7.650 1.00 0.00 H new ATOM 165 N LEU A 11 5.197 -3.407 -5.135 1.00 0.00 N ATOM 166 CA LEU A 11 6.223 -2.594 -4.524 1.00 0.00 C ATOM 167 C LEU A 11 7.162 -1.997 -5.546 1.00 0.00 C ATOM 168 O LEU A 11 7.773 -0.957 -5.303 1.00 0.00 O ATOM 169 CB LEU A 11 7.020 -3.366 -3.482 1.00 0.00 C ATOM 170 CG LEU A 11 6.228 -3.989 -2.337 1.00 0.00 C ATOM 171 CD1 LEU A 11 7.175 -4.536 -1.291 1.00 0.00 C ATOM 172 CD2 LEU A 11 5.261 -2.987 -1.726 1.00 0.00 C ATOM 0 H LEU A 11 5.382 -4.410 -5.113 1.00 0.00 H new ATOM 0 HA LEU A 11 5.698 -1.780 -4.024 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.565 -4.161 -3.991 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.763 -2.693 -3.055 1.00 0.00 H new ATOM 0 HG LEU A 11 5.635 -4.812 -2.736 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.601 -4.979 -0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.814 -5.296 -1.741 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.793 -3.727 -0.901 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.711 -3.461 -0.913 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.818 -2.134 -1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.560 -2.647 -2.488 1.00 0.00 H new ATOM 184 N GLU A 12 7.249 -2.613 -6.696 1.00 0.00 N ATOM 185 CA GLU A 12 8.177 -2.163 -7.704 1.00 0.00 C ATOM 186 C GLU A 12 7.596 -0.964 -8.428 1.00 0.00 C ATOM 187 O GLU A 12 8.321 -0.043 -8.827 1.00 0.00 O ATOM 188 CB GLU A 12 8.521 -3.293 -8.658 1.00 0.00 C ATOM 189 CG GLU A 12 8.998 -4.540 -7.931 1.00 0.00 C ATOM 190 CD GLU A 12 9.428 -5.636 -8.852 1.00 0.00 C ATOM 191 OE1 GLU A 12 8.647 -6.040 -9.726 1.00 0.00 O ATOM 192 OE2 GLU A 12 10.563 -6.141 -8.707 1.00 0.00 O ATOM 0 H GLU A 12 6.691 -3.425 -6.959 1.00 0.00 H new ATOM 0 HA GLU A 12 9.109 -1.854 -7.230 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.644 -3.538 -9.258 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.296 -2.959 -9.348 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.831 -4.275 -7.279 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.196 -4.907 -7.291 1.00 0.00 H new ATOM 199 N ARG A 13 6.284 -0.963 -8.566 1.00 0.00 N ATOM 200 CA ARG A 13 5.567 0.165 -9.125 1.00 0.00 C ATOM 201 C ARG A 13 5.602 1.299 -8.102 1.00 0.00 C ATOM 202 O ARG A 13 5.735 2.474 -8.444 1.00 0.00 O ATOM 203 CB ARG A 13 4.110 -0.219 -9.395 1.00 0.00 C ATOM 204 CG ARG A 13 3.355 0.756 -10.284 1.00 0.00 C ATOM 205 CD ARG A 13 3.841 0.642 -11.721 1.00 0.00 C ATOM 206 NE ARG A 13 3.590 -0.704 -12.251 1.00 0.00 N ATOM 207 CZ ARG A 13 4.420 -1.404 -13.030 1.00 0.00 C ATOM 208 NH1 ARG A 13 5.609 -0.908 -13.378 1.00 0.00 N ATOM 209 NH2 ARG A 13 4.065 -2.623 -13.438 1.00 0.00 N ATOM 0 H ARG A 13 5.686 -1.744 -8.294 1.00 0.00 H new ATOM 0 HA ARG A 13 6.030 0.471 -10.063 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.087 -1.205 -9.858 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.587 -0.302 -8.442 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.286 0.549 -10.237 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.499 1.775 -9.923 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.335 1.382 -12.341 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.907 0.863 -11.768 1.00 0.00 H new ATOM 0 HE ARG A 13 2.704 -1.144 -12.003 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.893 0.015 -13.049 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.234 -1.452 -13.973 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.166 -3.014 -13.155 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.692 -3.165 -14.033 1.00 0.00 H new ATOM 223 N LEU A 14 5.509 0.908 -6.839 1.00 0.00 N ATOM 224 CA LEU A 14 5.525 1.818 -5.700 1.00 0.00 C ATOM 225 C LEU A 14 6.868 2.535 -5.614 1.00 0.00 C ATOM 226 O LEU A 14 6.932 3.720 -5.272 1.00 0.00 O ATOM 227 CB LEU A 14 5.299 1.009 -4.423 1.00 0.00 C ATOM 228 CG LEU A 14 5.206 1.780 -3.116 1.00 0.00 C ATOM 229 CD1 LEU A 14 3.913 2.578 -3.046 1.00 0.00 C ATOM 230 CD2 LEU A 14 5.330 0.829 -1.944 1.00 0.00 C ATOM 0 H LEU A 14 5.418 -0.072 -6.571 1.00 0.00 H new ATOM 0 HA LEU A 14 4.738 2.563 -5.821 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.378 0.438 -4.544 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.112 0.288 -4.332 1.00 0.00 H new ATOM 0 HG LEU A 14 6.030 2.492 -3.070 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.871 3.120 -2.101 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.878 3.287 -3.873 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.063 1.899 -3.113 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.262 1.390 -1.012 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.526 0.094 -1.985 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.291 0.317 -1.991 1.00 0.00 H new ATOM 242 N ALA A 15 7.927 1.809 -5.943 1.00 0.00 N ATOM 243 CA ALA A 15 9.292 2.315 -5.897 1.00 0.00 C ATOM 244 C ALA A 15 9.499 3.514 -6.815 1.00 0.00 C ATOM 245 O ALA A 15 10.305 4.399 -6.512 1.00 0.00 O ATOM 246 CB ALA A 15 10.285 1.212 -6.229 1.00 0.00 C ATOM 0 H ALA A 15 7.862 0.840 -6.253 1.00 0.00 H new ATOM 0 HA ALA A 15 9.470 2.657 -4.877 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.299 1.611 -6.189 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.185 0.403 -5.506 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.084 0.831 -7.230 1.00 0.00 H new ATOM 252 N THR A 16 8.768 3.565 -7.911 1.00 0.00 N ATOM 253 CA THR A 16 8.901 4.659 -8.842 1.00 0.00 C ATOM 254 C THR A 16 7.958 5.828 -8.528 1.00 0.00 C ATOM 255 O THR A 16 8.026 6.885 -9.168 1.00 0.00 O ATOM 256 CB THR A 16 8.743 4.179 -10.299 1.00 0.00 C ATOM 257 OG1 THR A 16 7.651 3.240 -10.401 1.00 0.00 O ATOM 258 CG2 THR A 16 10.025 3.536 -10.795 1.00 0.00 C ATOM 0 H THR A 16 8.078 2.861 -8.175 1.00 0.00 H new ATOM 0 HA THR A 16 9.914 5.044 -8.723 1.00 0.00 H new ATOM 0 HB THR A 16 8.526 5.047 -10.922 1.00 0.00 H new ATOM 0 HG1 THR A 16 7.560 2.944 -11.331 1.00 0.00 H new ATOM 0 HG21 THR A 16 9.891 3.205 -11.825 1.00 0.00 H new ATOM 0 HG22 THR A 16 10.837 4.262 -10.750 1.00 0.00 H new ATOM 0 HG23 THR A 16 10.269 2.679 -10.167 1.00 0.00 H new ATOM 266 N VAL A 17 7.094 5.647 -7.546 1.00 0.00 N ATOM 267 CA VAL A 17 6.185 6.702 -7.133 1.00 0.00 C ATOM 268 C VAL A 17 6.946 7.627 -6.183 1.00 0.00 C ATOM 269 O VAL A 17 7.592 7.133 -5.250 1.00 0.00 O ATOM 270 CB VAL A 17 4.912 6.132 -6.424 1.00 0.00 C ATOM 271 CG1 VAL A 17 3.948 7.246 -6.013 1.00 0.00 C ATOM 272 CG2 VAL A 17 4.197 5.129 -7.315 1.00 0.00 C ATOM 0 H VAL A 17 7.002 4.779 -7.019 1.00 0.00 H new ATOM 0 HA VAL A 17 5.839 7.243 -8.014 1.00 0.00 H new ATOM 0 HB VAL A 17 5.249 5.624 -5.520 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.076 6.811 -5.524 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.450 7.925 -5.324 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.630 7.797 -6.898 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.316 4.748 -6.799 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.893 5.617 -8.241 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.869 4.302 -7.545 1.00 0.00 H new ATOM 282 N PRO A 18 6.929 8.965 -6.450 1.00 0.00 N ATOM 283 CA PRO A 18 7.636 9.989 -5.652 1.00 0.00 C ATOM 284 C PRO A 18 7.615 9.749 -4.133 1.00 0.00 C ATOM 285 O PRO A 18 6.560 9.395 -3.540 1.00 0.00 O ATOM 286 CB PRO A 18 6.879 11.257 -5.997 1.00 0.00 C ATOM 287 CG PRO A 18 6.500 11.070 -7.421 1.00 0.00 C ATOM 288 CD PRO A 18 6.225 9.593 -7.595 1.00 0.00 C ATOM 0 HA PRO A 18 8.700 10.003 -5.889 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.001 11.383 -5.363 1.00 0.00 H new ATOM 0 HB3 PRO A 18 7.500 12.143 -5.862 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.619 11.662 -7.670 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.302 11.397 -8.083 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.156 9.380 -7.573 1.00 0.00 H new ATOM 0 HD3 PRO A 18 6.604 9.225 -8.548 1.00 0.00 H new ATOM 296 N ALA A 19 8.766 9.998 -3.514 1.00 0.00 N ATOM 297 CA ALA A 19 9.008 9.770 -2.091 1.00 0.00 C ATOM 298 C ALA A 19 8.059 10.566 -1.208 1.00 0.00 C ATOM 299 O ALA A 19 7.789 10.171 -0.082 1.00 0.00 O ATOM 300 CB ALA A 19 10.453 10.090 -1.743 1.00 0.00 C ATOM 0 H ALA A 19 9.579 10.374 -4.001 1.00 0.00 H new ATOM 0 HA ALA A 19 8.817 8.715 -1.896 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.618 9.916 -0.680 1.00 0.00 H new ATOM 0 HB2 ALA A 19 11.117 9.450 -2.323 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.661 11.134 -1.976 1.00 0.00 H new ATOM 306 N GLU A 20 7.527 11.665 -1.744 1.00 0.00 N ATOM 307 CA GLU A 20 6.567 12.509 -1.022 1.00 0.00 C ATOM 308 C GLU A 20 5.353 11.703 -0.582 1.00 0.00 C ATOM 309 O GLU A 20 4.786 11.933 0.495 1.00 0.00 O ATOM 310 CB GLU A 20 6.081 13.664 -1.904 1.00 0.00 C ATOM 311 CG GLU A 20 7.168 14.601 -2.373 1.00 0.00 C ATOM 312 CD GLU A 20 8.010 15.113 -1.239 1.00 0.00 C ATOM 313 OE1 GLU A 20 7.514 15.897 -0.395 1.00 0.00 O ATOM 314 OE2 GLU A 20 9.185 14.741 -1.169 1.00 0.00 O ATOM 0 H GLU A 20 7.746 11.996 -2.684 1.00 0.00 H new ATOM 0 HA GLU A 20 7.085 12.903 -0.147 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.576 13.249 -2.777 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.339 14.239 -1.350 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.805 14.084 -3.091 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.717 15.444 -2.897 1.00 0.00 H new ATOM 321 N LYS A 21 4.980 10.747 -1.408 1.00 0.00 N ATOM 322 CA LYS A 21 3.803 9.957 -1.173 1.00 0.00 C ATOM 323 C LYS A 21 4.175 8.523 -0.815 1.00 0.00 C ATOM 324 O LYS A 21 3.791 8.011 0.230 1.00 0.00 O ATOM 325 CB LYS A 21 2.927 9.955 -2.433 1.00 0.00 C ATOM 326 CG LYS A 21 2.493 11.337 -2.900 1.00 0.00 C ATOM 327 CD LYS A 21 1.689 11.260 -4.187 1.00 0.00 C ATOM 328 CE LYS A 21 1.288 12.644 -4.674 1.00 0.00 C ATOM 329 NZ LYS A 21 0.529 12.586 -5.935 1.00 0.00 N ATOM 0 H LYS A 21 5.488 10.501 -2.258 1.00 0.00 H new ATOM 0 HA LYS A 21 3.255 10.394 -0.338 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.474 9.467 -3.240 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.038 9.354 -2.242 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.895 11.814 -2.124 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.372 11.963 -3.055 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.277 10.758 -4.956 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.796 10.657 -4.024 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.686 13.137 -3.911 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.182 13.251 -4.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.275 13.550 -6.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.112 12.139 -6.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.337 12.028 -5.793 1.00 0.00 H new ATOM 343 N ALA A 22 4.967 7.902 -1.663 1.00 0.00 N ATOM 344 CA ALA A 22 5.254 6.487 -1.522 1.00 0.00 C ATOM 345 C ALA A 22 6.475 6.196 -0.669 1.00 0.00 C ATOM 346 O ALA A 22 6.675 5.058 -0.276 1.00 0.00 O ATOM 347 CB ALA A 22 5.416 5.857 -2.884 1.00 0.00 C ATOM 0 H ALA A 22 5.424 8.352 -2.456 1.00 0.00 H new ATOM 0 HA ALA A 22 4.402 6.050 -1.000 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.631 4.795 -2.770 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.496 5.982 -3.454 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.238 6.339 -3.412 1.00 0.00 H new ATOM 353 N GLY A 23 7.252 7.218 -0.360 1.00 0.00 N ATOM 354 CA GLY A 23 8.512 7.046 0.384 1.00 0.00 C ATOM 355 C GLY A 23 8.367 6.258 1.693 1.00 0.00 C ATOM 356 O GLY A 23 8.902 5.141 1.810 1.00 0.00 O ATOM 0 H GLY A 23 7.042 8.185 -0.609 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.232 6.536 -0.256 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.925 8.029 0.609 1.00 0.00 H new ATOM 360 N PRO A 24 7.630 6.790 2.694 1.00 0.00 N ATOM 361 CA PRO A 24 7.423 6.098 3.975 1.00 0.00 C ATOM 362 C PRO A 24 6.670 4.771 3.807 1.00 0.00 C ATOM 363 O PRO A 24 6.809 3.846 4.624 1.00 0.00 O ATOM 364 CB PRO A 24 6.573 7.087 4.787 1.00 0.00 C ATOM 365 CG PRO A 24 6.815 8.411 4.152 1.00 0.00 C ATOM 366 CD PRO A 24 6.987 8.125 2.691 1.00 0.00 C ATOM 0 HA PRO A 24 8.369 5.836 4.449 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.517 6.820 4.754 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.868 7.092 5.836 1.00 0.00 H new ATOM 0 HG2 PRO A 24 5.978 9.088 4.324 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.703 8.889 4.566 1.00 0.00 H new ATOM 0 HD2 PRO A 24 6.032 8.113 2.166 1.00 0.00 H new ATOM 0 HD3 PRO A 24 7.611 8.874 2.202 1.00 0.00 H new ATOM 374 N LEU A 25 5.903 4.664 2.735 1.00 0.00 N ATOM 375 CA LEU A 25 5.113 3.477 2.480 1.00 0.00 C ATOM 376 C LEU A 25 6.043 2.357 1.994 1.00 0.00 C ATOM 377 O LEU A 25 5.927 1.213 2.434 1.00 0.00 O ATOM 378 CB LEU A 25 3.977 3.816 1.476 1.00 0.00 C ATOM 379 CG LEU A 25 2.765 2.842 1.349 1.00 0.00 C ATOM 380 CD1 LEU A 25 1.706 3.448 0.459 1.00 0.00 C ATOM 381 CD2 LEU A 25 3.149 1.479 0.805 1.00 0.00 C ATOM 0 H LEU A 25 5.812 5.391 2.025 1.00 0.00 H new ATOM 0 HA LEU A 25 4.628 3.121 3.389 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.584 4.797 1.742 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.428 3.911 0.488 1.00 0.00 H new ATOM 0 HG LEU A 25 2.382 2.694 2.359 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.864 2.761 0.376 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.365 4.390 0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.124 3.631 -0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.261 0.849 0.741 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.585 1.593 -0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.877 1.014 1.470 1.00 0.00 H new ATOM 393 N GLN A 26 6.993 2.712 1.130 1.00 0.00 N ATOM 394 CA GLN A 26 8.009 1.772 0.641 1.00 0.00 C ATOM 395 C GLN A 26 8.807 1.215 1.801 1.00 0.00 C ATOM 396 O GLN A 26 9.129 0.040 1.837 1.00 0.00 O ATOM 397 CB GLN A 26 8.980 2.451 -0.317 1.00 0.00 C ATOM 398 CG GLN A 26 8.403 2.883 -1.650 1.00 0.00 C ATOM 399 CD GLN A 26 9.430 3.605 -2.489 1.00 0.00 C ATOM 400 OE1 GLN A 26 10.627 3.345 -2.382 1.00 0.00 O ATOM 401 NE2 GLN A 26 8.988 4.488 -3.330 1.00 0.00 N ATOM 0 H GLN A 26 7.083 3.654 0.749 1.00 0.00 H new ATOM 0 HA GLN A 26 7.484 0.973 0.118 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.395 3.329 0.179 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.810 1.770 -0.506 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.039 2.009 -2.191 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.545 3.534 -1.483 1.00 0.00 H new ATOM 0 HE21 GLN A 26 7.988 4.678 -3.392 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.641 4.993 -3.930 1.00 0.00 H new ATOM 410 N ARG A 27 9.107 2.075 2.751 1.00 0.00 N ATOM 411 CA ARG A 27 9.862 1.688 3.929 1.00 0.00 C ATOM 412 C ARG A 27 9.087 0.686 4.785 1.00 0.00 C ATOM 413 O ARG A 27 9.653 -0.310 5.255 1.00 0.00 O ATOM 414 CB ARG A 27 10.250 2.911 4.735 1.00 0.00 C ATOM 415 CG ARG A 27 11.231 3.854 4.027 1.00 0.00 C ATOM 416 CD ARG A 27 12.560 3.167 3.696 1.00 0.00 C ATOM 417 NE ARG A 27 13.274 2.731 4.904 1.00 0.00 N ATOM 418 CZ ARG A 27 14.156 1.719 4.979 1.00 0.00 C ATOM 419 NH1 ARG A 27 14.455 0.996 3.903 1.00 0.00 N ATOM 420 NH2 ARG A 27 14.751 1.456 6.130 1.00 0.00 N ATOM 0 H ARG A 27 8.837 3.058 2.731 1.00 0.00 H new ATOM 0 HA ARG A 27 10.775 1.193 3.597 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.347 3.468 4.985 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.694 2.585 5.676 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.777 4.224 3.108 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.420 4.721 4.660 1.00 0.00 H new ATOM 0 HD2 ARG A 27 12.372 2.305 3.056 1.00 0.00 H new ATOM 0 HD3 ARG A 27 13.191 3.853 3.130 1.00 0.00 H new ATOM 0 HE ARG A 27 13.083 3.243 5.765 1.00 0.00 H new ATOM 0 HH11 ARG A 27 14.013 1.207 3.008 1.00 0.00 H new ATOM 0 HH12 ARG A 27 15.126 0.231 3.973 1.00 0.00 H new ATOM 0 HH21 ARG A 27 14.540 2.019 6.954 1.00 0.00 H new ATOM 0 HH22 ARG A 27 15.421 0.690 6.194 1.00 0.00 H new ATOM 434 N TYR A 28 7.795 0.950 4.972 1.00 0.00 N ATOM 435 CA TYR A 28 6.892 0.019 5.680 1.00 0.00 C ATOM 436 C TYR A 28 6.938 -1.325 4.972 1.00 0.00 C ATOM 437 O TYR A 28 7.203 -2.353 5.586 1.00 0.00 O ATOM 438 CB TYR A 28 5.441 0.561 5.671 1.00 0.00 C ATOM 439 CG TYR A 28 4.393 -0.288 6.418 1.00 0.00 C ATOM 440 CD1 TYR A 28 3.733 -1.357 5.796 1.00 0.00 C ATOM 441 CD2 TYR A 28 4.044 0.006 7.729 1.00 0.00 C ATOM 442 CE1 TYR A 28 2.762 -2.096 6.469 1.00 0.00 C ATOM 443 CE2 TYR A 28 3.083 -0.729 8.409 1.00 0.00 C ATOM 444 CZ TYR A 28 2.444 -1.777 7.777 1.00 0.00 C ATOM 445 OH TYR A 28 1.472 -2.500 8.463 1.00 0.00 O ATOM 0 H TYR A 28 7.340 1.802 4.645 1.00 0.00 H new ATOM 0 HA TYR A 28 7.214 -0.085 6.716 1.00 0.00 H new ATOM 0 HB2 TYR A 28 5.446 1.560 6.106 1.00 0.00 H new ATOM 0 HB3 TYR A 28 5.121 0.666 4.634 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.982 -1.613 4.777 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.532 0.827 8.232 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.260 -2.913 5.972 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.835 -0.482 9.431 1.00 0.00 H new ATOM 0 HH TYR A 28 1.480 -3.431 8.157 1.00 0.00 H new ATOM 455 N ALA A 29 6.741 -1.278 3.664 1.00 0.00 N ATOM 456 CA ALA A 29 6.752 -2.451 2.811 1.00 0.00 C ATOM 457 C ALA A 29 8.059 -3.227 2.947 1.00 0.00 C ATOM 458 O ALA A 29 8.040 -4.429 3.164 1.00 0.00 O ATOM 459 CB ALA A 29 6.530 -2.035 1.378 1.00 0.00 C ATOM 0 H ALA A 29 6.566 -0.409 3.159 1.00 0.00 H new ATOM 0 HA ALA A 29 5.945 -3.113 3.125 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.538 -2.917 0.738 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.567 -1.532 1.290 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.324 -1.355 1.069 1.00 0.00 H new ATOM 465 N ALA A 30 9.181 -2.514 2.872 1.00 0.00 N ATOM 466 CA ALA A 30 10.519 -3.104 2.999 1.00 0.00 C ATOM 467 C ALA A 30 10.698 -3.809 4.342 1.00 0.00 C ATOM 468 O ALA A 30 11.378 -4.838 4.435 1.00 0.00 O ATOM 469 CB ALA A 30 11.584 -2.031 2.826 1.00 0.00 C ATOM 0 H ALA A 30 9.191 -1.505 2.721 1.00 0.00 H new ATOM 0 HA ALA A 30 10.628 -3.851 2.213 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.572 -2.480 2.922 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.486 -1.577 1.840 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.457 -1.266 3.592 1.00 0.00 H new ATOM 475 N THR A 31 10.054 -3.274 5.363 1.00 0.00 N ATOM 476 CA THR A 31 10.118 -3.833 6.698 1.00 0.00 C ATOM 477 C THR A 31 9.291 -5.135 6.759 1.00 0.00 C ATOM 478 O THR A 31 9.610 -6.067 7.506 1.00 0.00 O ATOM 479 CB THR A 31 9.562 -2.811 7.728 1.00 0.00 C ATOM 480 OG1 THR A 31 10.252 -1.541 7.583 1.00 0.00 O ATOM 481 CG2 THR A 31 9.742 -3.317 9.154 1.00 0.00 C ATOM 0 H THR A 31 9.472 -2.440 5.289 1.00 0.00 H new ATOM 0 HA THR A 31 11.157 -4.055 6.941 1.00 0.00 H new ATOM 0 HB THR A 31 8.497 -2.682 7.534 1.00 0.00 H new ATOM 0 HG1 THR A 31 10.032 -1.147 6.713 1.00 0.00 H new ATOM 0 HG21 THR A 31 9.344 -2.582 9.854 1.00 0.00 H new ATOM 0 HG22 THR A 31 9.209 -4.260 9.276 1.00 0.00 H new ATOM 0 HG23 THR A 31 10.802 -3.472 9.354 1.00 0.00 H new ATOM 489 N ILE A 32 8.255 -5.195 5.948 1.00 0.00 N ATOM 490 CA ILE A 32 7.366 -6.336 5.913 1.00 0.00 C ATOM 491 C ILE A 32 7.934 -7.439 5.006 1.00 0.00 C ATOM 492 O ILE A 32 7.748 -8.619 5.280 1.00 0.00 O ATOM 493 CB ILE A 32 5.929 -5.917 5.452 1.00 0.00 C ATOM 494 CG1 ILE A 32 5.359 -4.813 6.366 1.00 0.00 C ATOM 495 CG2 ILE A 32 4.976 -7.109 5.416 1.00 0.00 C ATOM 496 CD1 ILE A 32 5.247 -5.194 7.835 1.00 0.00 C ATOM 0 H ILE A 32 8.006 -4.453 5.294 1.00 0.00 H new ATOM 0 HA ILE A 32 7.288 -6.734 6.925 1.00 0.00 H new ATOM 0 HB ILE A 32 6.019 -5.526 4.438 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.991 -3.929 6.282 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.370 -4.534 6.001 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.990 -6.777 5.091 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.355 -7.857 4.719 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.902 -7.546 6.412 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.837 -4.356 8.398 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.589 -6.057 7.938 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.235 -5.443 8.223 1.00 0.00 H new ATOM 508 N GLN A 33 8.669 -7.045 3.960 1.00 0.00 N ATOM 509 CA GLN A 33 9.275 -7.992 2.999 1.00 0.00 C ATOM 510 C GLN A 33 10.036 -9.106 3.707 1.00 0.00 C ATOM 511 O GLN A 33 9.879 -10.282 3.380 1.00 0.00 O ATOM 512 CB GLN A 33 10.243 -7.289 2.053 1.00 0.00 C ATOM 513 CG GLN A 33 9.627 -6.242 1.149 1.00 0.00 C ATOM 514 CD GLN A 33 10.658 -5.592 0.236 1.00 0.00 C ATOM 515 OE1 GLN A 33 10.539 -4.419 -0.129 1.00 0.00 O ATOM 516 NE2 GLN A 33 11.660 -6.344 -0.149 1.00 0.00 N ATOM 0 H GLN A 33 8.864 -6.066 3.751 1.00 0.00 H new ATOM 0 HA GLN A 33 8.445 -8.416 2.433 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.025 -6.816 2.647 1.00 0.00 H new ATOM 0 HB3 GLN A 33 10.727 -8.042 1.431 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.846 -6.702 0.543 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.148 -5.475 1.758 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.726 -7.310 0.173 1.00 0.00 H new ATOM 0 HE22 GLN A 33 12.374 -5.964 -0.770 1.00 0.00 H new ATOM 525 N SER A 34 10.805 -8.738 4.707 1.00 0.00 N ATOM 526 CA SER A 34 11.638 -9.663 5.433 1.00 0.00 C ATOM 527 C SER A 34 10.829 -10.730 6.192 1.00 0.00 C ATOM 528 O SER A 34 11.233 -11.899 6.242 1.00 0.00 O ATOM 529 CB SER A 34 12.555 -8.879 6.346 1.00 0.00 C ATOM 530 OG SER A 34 11.833 -7.846 6.984 1.00 0.00 O ATOM 0 H SER A 34 10.868 -7.776 5.041 1.00 0.00 H new ATOM 0 HA SER A 34 12.238 -10.226 4.718 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.993 -9.542 7.092 1.00 0.00 H new ATOM 0 HB3 SER A 34 13.379 -8.457 5.772 1.00 0.00 H new ATOM 0 HG SER A 34 12.433 -7.344 7.574 1.00 0.00 H new ATOM 536 N GLN A 35 9.669 -10.364 6.731 1.00 0.00 N ATOM 537 CA GLN A 35 8.847 -11.353 7.430 1.00 0.00 C ATOM 538 C GLN A 35 8.103 -12.197 6.401 1.00 0.00 C ATOM 539 O GLN A 35 7.710 -13.316 6.666 1.00 0.00 O ATOM 540 CB GLN A 35 7.829 -10.718 8.411 1.00 0.00 C ATOM 541 CG GLN A 35 6.698 -9.965 7.732 1.00 0.00 C ATOM 542 CD GLN A 35 5.577 -9.524 8.647 1.00 0.00 C ATOM 543 OE1 GLN A 35 4.436 -9.453 8.212 1.00 0.00 O ATOM 544 NE2 GLN A 35 5.871 -9.220 9.876 1.00 0.00 N ATOM 0 H GLN A 35 9.284 -9.420 6.701 1.00 0.00 H new ATOM 0 HA GLN A 35 9.520 -11.967 8.029 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.404 -11.504 9.035 1.00 0.00 H new ATOM 0 HB3 GLN A 35 8.359 -10.035 9.075 1.00 0.00 H new ATOM 0 HG2 GLN A 35 7.112 -9.084 7.241 1.00 0.00 H new ATOM 0 HG3 GLN A 35 6.279 -10.598 6.950 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.835 -9.292 10.203 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.138 -8.910 10.514 1.00 0.00 H new ATOM 553 N ARG A 36 7.932 -11.643 5.210 1.00 0.00 N ATOM 554 CA ARG A 36 7.210 -12.318 4.135 1.00 0.00 C ATOM 555 C ARG A 36 8.131 -13.230 3.329 1.00 0.00 C ATOM 556 O ARG A 36 7.714 -13.845 2.358 1.00 0.00 O ATOM 557 CB ARG A 36 6.504 -11.297 3.228 1.00 0.00 C ATOM 558 CG ARG A 36 5.509 -10.416 3.967 1.00 0.00 C ATOM 559 CD ARG A 36 4.328 -11.202 4.511 1.00 0.00 C ATOM 560 NE ARG A 36 3.634 -10.470 5.581 1.00 0.00 N ATOM 561 CZ ARG A 36 2.339 -10.561 5.876 1.00 0.00 C ATOM 562 NH1 ARG A 36 1.473 -11.084 5.008 1.00 0.00 N ATOM 563 NH2 ARG A 36 1.900 -10.028 7.007 1.00 0.00 N ATOM 0 H ARG A 36 8.286 -10.720 4.960 1.00 0.00 H new ATOM 0 HA ARG A 36 6.447 -12.949 4.591 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.254 -10.665 2.753 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.984 -11.829 2.431 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.016 -9.912 4.790 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.146 -9.640 3.293 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.629 -11.414 3.702 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.675 -12.162 4.893 1.00 0.00 H new ATOM 0 HE ARG A 36 4.196 -9.835 6.148 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.799 -11.422 4.103 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.484 -11.147 5.249 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.551 -9.557 7.635 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.911 -10.088 7.249 1.00 0.00 H new ATOM 577 N GLY A 37 9.378 -13.318 3.738 1.00 0.00 N ATOM 578 CA GLY A 37 10.293 -14.227 3.087 1.00 0.00 C ATOM 579 C GLY A 37 11.305 -13.547 2.198 1.00 0.00 C ATOM 580 O GLY A 37 11.870 -14.188 1.310 1.00 0.00 O ATOM 0 H GLY A 37 9.777 -12.779 4.507 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.821 -14.802 3.848 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.720 -14.938 2.491 1.00 0.00 H new ATOM 584 N ASP A 38 11.477 -12.237 2.387 1.00 0.00 N ATOM 585 CA ASP A 38 12.505 -11.383 1.706 1.00 0.00 C ATOM 586 C ASP A 38 12.137 -11.068 0.276 1.00 0.00 C ATOM 587 O ASP A 38 12.089 -9.912 -0.144 1.00 0.00 O ATOM 588 CB ASP A 38 13.932 -11.997 1.785 1.00 0.00 C ATOM 589 CG ASP A 38 15.048 -11.107 1.226 1.00 0.00 C ATOM 590 OD1 ASP A 38 15.102 -10.852 0.003 1.00 0.00 O ATOM 591 OD2 ASP A 38 15.939 -10.695 2.009 1.00 0.00 O ATOM 0 H ASP A 38 10.896 -11.706 3.035 1.00 0.00 H new ATOM 0 HA ASP A 38 12.520 -10.442 2.257 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.157 -12.225 2.827 1.00 0.00 H new ATOM 0 HB3 ASP A 38 13.936 -12.943 1.243 1.00 0.00 H new ATOM 596 N TYR A 39 11.857 -12.095 -0.426 1.00 0.00 N ATOM 597 CA TYR A 39 11.572 -12.054 -1.847 1.00 0.00 C ATOM 598 C TYR A 39 10.140 -11.719 -2.158 1.00 0.00 C ATOM 599 O TYR A 39 9.779 -11.495 -3.319 1.00 0.00 O ATOM 600 CB TYR A 39 12.064 -13.316 -2.557 1.00 0.00 C ATOM 601 CG TYR A 39 13.568 -13.414 -2.506 1.00 0.00 C ATOM 602 CD1 TYR A 39 14.349 -12.784 -3.461 1.00 0.00 C ATOM 603 CD2 TYR A 39 14.210 -14.088 -1.475 1.00 0.00 C ATOM 604 CE1 TYR A 39 15.721 -12.815 -3.390 1.00 0.00 C ATOM 605 CE2 TYR A 39 15.584 -14.133 -1.406 1.00 0.00 C ATOM 606 CZ TYR A 39 16.333 -13.492 -2.364 1.00 0.00 C ATOM 607 OH TYR A 39 17.707 -13.498 -2.280 1.00 0.00 O ATOM 0 H TYR A 39 11.812 -13.035 -0.033 1.00 0.00 H new ATOM 0 HA TYR A 39 12.145 -11.222 -2.255 1.00 0.00 H new ATOM 0 HB2 TYR A 39 11.623 -14.196 -2.089 1.00 0.00 H new ATOM 0 HB3 TYR A 39 11.732 -13.306 -3.595 1.00 0.00 H new ATOM 0 HD1 TYR A 39 13.871 -12.259 -4.275 1.00 0.00 H new ATOM 0 HD2 TYR A 39 13.623 -14.584 -0.716 1.00 0.00 H new ATOM 0 HE1 TYR A 39 16.315 -12.310 -4.137 1.00 0.00 H new ATOM 0 HE2 TYR A 39 16.071 -14.669 -0.604 1.00 0.00 H new ATOM 0 HH TYR A 39 17.985 -14.020 -1.498 1.00 0.00 H new ATOM 617 N ASN A 40 9.326 -11.629 -1.143 1.00 0.00 N ATOM 618 CA ASN A 40 7.973 -11.144 -1.322 1.00 0.00 C ATOM 619 C ASN A 40 8.056 -9.628 -1.218 1.00 0.00 C ATOM 620 O ASN A 40 7.664 -9.021 -0.233 1.00 0.00 O ATOM 621 CB ASN A 40 7.000 -11.754 -0.281 1.00 0.00 C ATOM 622 CG ASN A 40 5.517 -11.405 -0.513 1.00 0.00 C ATOM 623 OD1 ASN A 40 4.987 -10.430 0.018 1.00 0.00 O ATOM 624 ND2 ASN A 40 4.842 -12.211 -1.293 1.00 0.00 N ATOM 0 H ASN A 40 9.568 -11.882 -0.185 1.00 0.00 H new ATOM 0 HA ASN A 40 7.569 -11.444 -2.289 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.111 -12.838 -0.290 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.290 -11.412 0.713 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.853 -12.037 -1.473 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.305 -13.013 -1.721 1.00 0.00 H new ATOM 631 N GLY A 41 8.764 -9.073 -2.190 1.00 0.00 N ATOM 632 CA GLY A 41 9.010 -7.665 -2.248 1.00 0.00 C ATOM 633 C GLY A 41 8.800 -7.103 -3.628 1.00 0.00 C ATOM 634 O GLY A 41 8.981 -5.920 -3.851 1.00 0.00 O ATOM 0 H GLY A 41 9.180 -9.600 -2.958 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.350 -7.154 -1.546 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.033 -7.464 -1.928 1.00 0.00 H new ATOM 638 N LYS A 42 8.470 -7.964 -4.580 1.00 0.00 N ATOM 639 CA LYS A 42 8.093 -7.480 -5.895 1.00 0.00 C ATOM 640 C LYS A 42 6.659 -7.056 -5.756 1.00 0.00 C ATOM 641 O LYS A 42 6.273 -5.924 -6.031 1.00 0.00 O ATOM 642 CB LYS A 42 8.213 -8.581 -6.962 1.00 0.00 C ATOM 643 CG LYS A 42 9.598 -9.199 -7.069 1.00 0.00 C ATOM 644 CD LYS A 42 9.696 -10.195 -8.224 1.00 0.00 C ATOM 645 CE LYS A 42 9.590 -9.515 -9.591 1.00 0.00 C ATOM 646 NZ LYS A 42 10.682 -8.540 -9.829 1.00 0.00 N ATOM 0 H LYS A 42 8.456 -8.978 -4.469 1.00 0.00 H new ATOM 0 HA LYS A 42 8.746 -6.669 -6.218 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.493 -9.368 -6.738 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.938 -8.164 -7.931 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.337 -8.410 -7.208 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.842 -9.703 -6.134 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.644 -10.730 -8.160 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.904 -10.938 -8.128 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.609 -10.274 -10.373 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.630 -9.005 -9.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.593 -8.146 -10.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.619 -7.771 -9.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 11.601 -9.018 -9.736 1.00 0.00 H new ATOM 660 N VAL A 43 5.899 -7.983 -5.270 1.00 0.00 N ATOM 661 CA VAL A 43 4.561 -7.773 -4.891 1.00 0.00 C ATOM 662 C VAL A 43 4.460 -8.198 -3.449 1.00 0.00 C ATOM 663 O VAL A 43 4.960 -9.258 -3.072 1.00 0.00 O ATOM 664 CB VAL A 43 3.537 -8.539 -5.784 1.00 0.00 C ATOM 665 CG1 VAL A 43 3.488 -7.935 -7.174 1.00 0.00 C ATOM 666 CG2 VAL A 43 3.871 -10.026 -5.882 1.00 0.00 C ATOM 0 H VAL A 43 6.217 -8.941 -5.125 1.00 0.00 H new ATOM 0 HA VAL A 43 4.302 -6.722 -5.022 1.00 0.00 H new ATOM 0 HB VAL A 43 2.560 -8.441 -5.311 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.768 -8.482 -7.783 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.186 -6.890 -7.106 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.475 -7.998 -7.633 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.134 -10.524 -6.513 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.863 -10.148 -6.317 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.855 -10.469 -4.886 1.00 0.00 H new ATOM 676 N LEU A 44 3.886 -7.374 -2.654 1.00 0.00 N ATOM 677 CA LEU A 44 3.786 -7.625 -1.260 1.00 0.00 C ATOM 678 C LEU A 44 2.429 -8.201 -0.992 1.00 0.00 C ATOM 679 O LEU A 44 1.402 -7.577 -1.288 1.00 0.00 O ATOM 680 CB LEU A 44 3.977 -6.324 -0.483 1.00 0.00 C ATOM 681 CG LEU A 44 4.046 -6.433 1.041 1.00 0.00 C ATOM 682 CD1 LEU A 44 5.253 -7.252 1.478 1.00 0.00 C ATOM 683 CD2 LEU A 44 4.078 -5.051 1.674 1.00 0.00 C ATOM 0 H LEU A 44 3.466 -6.494 -2.954 1.00 0.00 H new ATOM 0 HA LEU A 44 4.558 -8.325 -0.940 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.896 -5.852 -0.831 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.157 -5.653 -0.739 1.00 0.00 H new ATOM 0 HG LEU A 44 3.149 -6.949 1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.277 -7.313 2.566 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.182 -8.256 1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.165 -6.774 1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.127 -5.149 2.759 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.954 -4.508 1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.176 -4.504 1.399 1.00 0.00 H new ATOM 695 N SER A 45 2.417 -9.392 -0.501 1.00 0.00 N ATOM 696 CA SER A 45 1.199 -10.070 -0.207 1.00 0.00 C ATOM 697 C SER A 45 0.819 -9.776 1.236 1.00 0.00 C ATOM 698 O SER A 45 1.420 -10.323 2.174 1.00 0.00 O ATOM 699 CB SER A 45 1.416 -11.550 -0.448 1.00 0.00 C ATOM 700 OG SER A 45 2.014 -11.732 -1.737 1.00 0.00 O ATOM 0 H SER A 45 3.258 -9.929 -0.290 1.00 0.00 H new ATOM 0 HA SER A 45 0.381 -9.734 -0.844 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.059 -11.967 0.327 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.467 -12.083 -0.395 1.00 0.00 H new ATOM 0 HG SER A 45 2.013 -12.685 -1.967 1.00 0.00 H new ATOM 706 N ILE A 46 -0.137 -8.881 1.412 1.00 0.00 N ATOM 707 CA ILE A 46 -0.525 -8.433 2.727 1.00 0.00 C ATOM 708 C ILE A 46 -2.036 -8.444 2.953 1.00 0.00 C ATOM 709 O ILE A 46 -2.827 -8.831 2.077 1.00 0.00 O ATOM 710 CB ILE A 46 0.113 -7.039 3.116 1.00 0.00 C ATOM 711 CG1 ILE A 46 0.031 -5.981 1.980 1.00 0.00 C ATOM 712 CG2 ILE A 46 1.544 -7.200 3.600 1.00 0.00 C ATOM 713 CD1 ILE A 46 -1.356 -5.445 1.690 1.00 0.00 C ATOM 0 H ILE A 46 -0.660 -8.450 0.650 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.108 -9.175 3.408 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.493 -6.656 3.937 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.679 -5.144 2.239 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.430 -6.422 1.066 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.953 -6.223 3.859 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.561 -7.845 4.479 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.147 -7.648 2.810 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.302 -4.715 0.883 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.009 -6.266 1.394 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.756 -4.968 2.585 1.00 0.00 H new ATOM 725 N ARG A 47 -2.414 -8.043 4.131 1.00 0.00 N ATOM 726 CA ARG A 47 -3.778 -8.026 4.553 1.00 0.00 C ATOM 727 C ARG A 47 -4.334 -6.632 4.529 1.00 0.00 C ATOM 728 O ARG A 47 -3.591 -5.645 4.529 1.00 0.00 O ATOM 729 CB ARG A 47 -3.874 -8.546 5.970 1.00 0.00 C ATOM 730 CG ARG A 47 -3.331 -9.940 6.151 1.00 0.00 C ATOM 731 CD ARG A 47 -3.456 -10.346 7.582 1.00 0.00 C ATOM 732 NE ARG A 47 -2.890 -11.668 7.837 1.00 0.00 N ATOM 733 CZ ARG A 47 -2.941 -12.307 9.016 1.00 0.00 C ATOM 734 NH1 ARG A 47 -3.492 -11.719 10.080 1.00 0.00 N ATOM 735 NH2 ARG A 47 -2.425 -13.522 9.137 1.00 0.00 N ATOM 0 H ARG A 47 -1.762 -7.710 4.842 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.349 -8.653 3.868 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.334 -7.869 6.632 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.918 -8.531 6.281 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.876 -10.638 5.516 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -2.286 -9.977 5.842 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.953 -9.611 8.211 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.508 -10.343 7.867 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.422 -12.140 7.063 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.878 -10.778 10.000 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.527 -12.211 10.973 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.988 -13.973 8.333 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.465 -14.006 10.034 1.00 0.00 H new ATOM 749 N GLN A 48 -5.649 -6.554 4.573 1.00 0.00 N ATOM 750 CA GLN A 48 -6.369 -5.290 4.652 1.00 0.00 C ATOM 751 C GLN A 48 -6.036 -4.616 5.988 1.00 0.00 C ATOM 752 O GLN A 48 -6.060 -3.400 6.112 1.00 0.00 O ATOM 753 CB GLN A 48 -7.910 -5.506 4.524 1.00 0.00 C ATOM 754 CG GLN A 48 -8.586 -6.233 5.714 1.00 0.00 C ATOM 755 CD GLN A 48 -8.140 -7.682 5.919 1.00 0.00 C ATOM 756 OE1 GLN A 48 -8.076 -8.172 7.039 1.00 0.00 O ATOM 757 NE2 GLN A 48 -7.872 -8.392 4.849 1.00 0.00 N ATOM 0 H GLN A 48 -6.258 -7.372 4.555 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.059 -4.652 3.824 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.386 -4.533 4.398 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -8.105 -6.076 3.615 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.383 -5.673 6.627 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -9.666 -6.218 5.565 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.931 -7.964 3.925 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.604 -9.372 4.941 1.00 0.00 H new ATOM 766 N ASP A 49 -5.686 -5.452 6.961 1.00 0.00 N ATOM 767 CA ASP A 49 -5.307 -5.028 8.304 1.00 0.00 C ATOM 768 C ASP A 49 -4.073 -4.130 8.256 1.00 0.00 C ATOM 769 O ASP A 49 -4.000 -3.125 8.954 1.00 0.00 O ATOM 770 CB ASP A 49 -5.029 -6.255 9.175 1.00 0.00 C ATOM 771 CG ASP A 49 -4.694 -5.906 10.611 1.00 0.00 C ATOM 772 OD1 ASP A 49 -5.627 -5.695 11.413 1.00 0.00 O ATOM 773 OD2 ASP A 49 -3.512 -5.864 10.959 1.00 0.00 O ATOM 0 H ASP A 49 -5.658 -6.464 6.835 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.130 -4.459 8.736 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.902 -6.907 9.161 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.202 -6.819 8.743 1.00 0.00 H new ATOM 778 N ASP A 50 -3.135 -4.464 7.384 1.00 0.00 N ATOM 779 CA ASP A 50 -1.923 -3.662 7.238 1.00 0.00 C ATOM 780 C ASP A 50 -2.200 -2.403 6.462 1.00 0.00 C ATOM 781 O ASP A 50 -1.562 -1.372 6.684 1.00 0.00 O ATOM 782 CB ASP A 50 -0.761 -4.450 6.629 1.00 0.00 C ATOM 783 CG ASP A 50 -0.157 -5.426 7.607 1.00 0.00 C ATOM 784 OD1 ASP A 50 -0.663 -6.559 7.727 1.00 0.00 O ATOM 785 OD2 ASP A 50 0.842 -5.077 8.285 1.00 0.00 O ATOM 0 H ASP A 50 -3.185 -5.277 6.770 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.609 -3.381 8.243 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.112 -4.990 5.750 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.008 -3.756 6.290 1.00 0.00 H new ATOM 790 N LEU A 51 -3.183 -2.469 5.566 1.00 0.00 N ATOM 791 CA LEU A 51 -3.626 -1.272 4.850 1.00 0.00 C ATOM 792 C LEU A 51 -4.218 -0.281 5.868 1.00 0.00 C ATOM 793 O LEU A 51 -4.010 0.937 5.774 1.00 0.00 O ATOM 794 CB LEU A 51 -4.636 -1.645 3.715 1.00 0.00 C ATOM 795 CG LEU A 51 -5.171 -0.496 2.807 1.00 0.00 C ATOM 796 CD1 LEU A 51 -5.707 -1.061 1.506 1.00 0.00 C ATOM 797 CD2 LEU A 51 -6.296 0.289 3.487 1.00 0.00 C ATOM 0 H LEU A 51 -3.682 -3.324 5.320 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.781 -0.793 4.356 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.158 -2.384 3.072 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.494 -2.132 4.178 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.333 0.175 2.618 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.077 -0.248 0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.909 -1.587 0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.520 -1.755 1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.641 1.080 2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.124 -0.383 3.712 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.925 0.729 4.412 1.00 0.00 H new ATOM 809 N ARG A 52 -4.922 -0.826 6.861 1.00 0.00 N ATOM 810 CA ARG A 52 -5.500 -0.037 7.946 1.00 0.00 C ATOM 811 C ARG A 52 -4.399 0.690 8.706 1.00 0.00 C ATOM 812 O ARG A 52 -4.531 1.879 9.021 1.00 0.00 O ATOM 813 CB ARG A 52 -6.282 -0.926 8.921 1.00 0.00 C ATOM 814 CG ARG A 52 -7.475 -1.655 8.322 1.00 0.00 C ATOM 815 CD ARG A 52 -8.550 -0.698 7.837 1.00 0.00 C ATOM 816 NE ARG A 52 -9.111 0.112 8.930 1.00 0.00 N ATOM 817 CZ ARG A 52 -10.387 0.519 9.004 1.00 0.00 C ATOM 818 NH1 ARG A 52 -11.261 0.176 8.051 1.00 0.00 N ATOM 819 NH2 ARG A 52 -10.785 1.263 10.036 1.00 0.00 N ATOM 0 H ARG A 52 -5.107 -1.826 6.934 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.186 0.686 7.505 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.599 -1.665 9.341 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.632 -0.309 9.748 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.140 -2.274 7.490 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.899 -2.327 9.068 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.130 -0.038 7.077 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.350 -1.265 7.360 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.484 0.384 9.687 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.958 -0.397 7.264 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.230 0.488 8.112 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.120 1.521 10.765 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.754 1.575 10.096 1.00 0.00 H new ATOM 833 N THR A 53 -3.316 -0.034 8.983 1.00 0.00 N ATOM 834 CA THR A 53 -2.152 0.501 9.663 1.00 0.00 C ATOM 835 C THR A 53 -1.574 1.674 8.870 1.00 0.00 C ATOM 836 O THR A 53 -1.307 2.745 9.437 1.00 0.00 O ATOM 837 CB THR A 53 -1.074 -0.593 9.808 1.00 0.00 C ATOM 838 OG1 THR A 53 -1.674 -1.790 10.324 1.00 0.00 O ATOM 839 CG2 THR A 53 0.034 -0.145 10.754 1.00 0.00 C ATOM 0 H THR A 53 -3.227 -1.020 8.736 1.00 0.00 H new ATOM 0 HA THR A 53 -2.455 0.845 10.652 1.00 0.00 H new ATOM 0 HB THR A 53 -0.642 -0.780 8.825 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.990 -2.486 10.415 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.781 -0.934 10.839 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.503 0.758 10.363 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.389 0.062 11.737 1.00 0.00 H new ATOM 847 N LEU A 54 -1.421 1.466 7.555 1.00 0.00 N ATOM 848 CA LEU A 54 -0.896 2.478 6.637 1.00 0.00 C ATOM 849 C LEU A 54 -1.686 3.768 6.730 1.00 0.00 C ATOM 850 O LEU A 54 -1.109 4.845 6.895 1.00 0.00 O ATOM 851 CB LEU A 54 -0.921 1.969 5.189 1.00 0.00 C ATOM 852 CG LEU A 54 0.027 0.824 4.845 1.00 0.00 C ATOM 853 CD1 LEU A 54 -0.167 0.390 3.402 1.00 0.00 C ATOM 854 CD2 LEU A 54 1.461 1.254 5.065 1.00 0.00 C ATOM 0 H LEU A 54 -1.660 0.585 7.099 1.00 0.00 H new ATOM 0 HA LEU A 54 0.135 2.676 6.930 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.937 1.649 4.959 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.694 2.807 4.530 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.197 -0.020 5.497 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.517 -0.427 3.173 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.194 0.055 3.258 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.037 1.231 2.739 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.130 0.430 4.817 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.686 2.109 4.428 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.601 1.533 6.109 1.00 0.00 H new ATOM 866 N ALA A 55 -2.999 3.644 6.667 1.00 0.00 N ATOM 867 CA ALA A 55 -3.903 4.785 6.718 1.00 0.00 C ATOM 868 C ALA A 55 -3.682 5.629 7.978 1.00 0.00 C ATOM 869 O ALA A 55 -3.712 6.858 7.923 1.00 0.00 O ATOM 870 CB ALA A 55 -5.345 4.307 6.628 1.00 0.00 C ATOM 0 H ALA A 55 -3.474 2.745 6.579 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.689 5.427 5.863 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -6.016 5.165 6.667 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.493 3.773 5.690 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.560 3.640 7.463 1.00 0.00 H new ATOM 876 N VAL A 56 -3.393 4.967 9.088 1.00 0.00 N ATOM 877 CA VAL A 56 -3.180 5.653 10.353 1.00 0.00 C ATOM 878 C VAL A 56 -1.857 6.435 10.330 1.00 0.00 C ATOM 879 O VAL A 56 -1.786 7.572 10.813 1.00 0.00 O ATOM 880 CB VAL A 56 -3.184 4.657 11.552 1.00 0.00 C ATOM 881 CG1 VAL A 56 -2.951 5.379 12.871 1.00 0.00 C ATOM 882 CG2 VAL A 56 -4.491 3.881 11.609 1.00 0.00 C ATOM 0 H VAL A 56 -3.300 3.952 9.138 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.006 6.351 10.487 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.365 3.955 11.395 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.959 4.657 13.687 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.986 5.884 12.844 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.741 6.114 13.028 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.469 3.193 12.454 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.322 4.576 11.729 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.620 3.317 10.685 1.00 0.00 H new ATOM 892 N ILE A 57 -0.838 5.844 9.699 1.00 0.00 N ATOM 893 CA ILE A 57 0.515 6.427 9.658 1.00 0.00 C ATOM 894 C ILE A 57 0.509 7.767 8.935 1.00 0.00 C ATOM 895 O ILE A 57 1.188 8.709 9.343 1.00 0.00 O ATOM 896 CB ILE A 57 1.547 5.496 8.932 1.00 0.00 C ATOM 897 CG1 ILE A 57 1.491 4.085 9.504 1.00 0.00 C ATOM 898 CG2 ILE A 57 2.970 6.060 9.058 1.00 0.00 C ATOM 899 CD1 ILE A 57 2.454 3.102 8.871 1.00 0.00 C ATOM 0 H ILE A 57 -0.922 4.956 9.205 1.00 0.00 H new ATOM 0 HA ILE A 57 0.817 6.552 10.698 1.00 0.00 H new ATOM 0 HB ILE A 57 1.281 5.456 7.876 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.695 4.134 10.574 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.477 3.702 9.390 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.670 5.399 8.547 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.010 7.051 8.605 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.241 6.132 10.111 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.341 2.126 9.343 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.239 3.017 7.806 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.476 3.455 9.008 1.00 0.00 H new ATOM 911 N TYR A 58 -0.274 7.858 7.882 1.00 0.00 N ATOM 912 CA TYR A 58 -0.276 9.060 7.048 1.00 0.00 C ATOM 913 C TYR A 58 -1.432 9.963 7.430 1.00 0.00 C ATOM 914 O TYR A 58 -1.611 11.029 6.844 1.00 0.00 O ATOM 915 CB TYR A 58 -0.373 8.670 5.557 1.00 0.00 C ATOM 916 CG TYR A 58 0.515 7.497 5.191 1.00 0.00 C ATOM 917 CD1 TYR A 58 1.861 7.462 5.548 1.00 0.00 C ATOM 918 CD2 TYR A 58 -0.017 6.390 4.558 1.00 0.00 C ATOM 919 CE1 TYR A 58 2.634 6.357 5.266 1.00 0.00 C ATOM 920 CE2 TYR A 58 0.755 5.286 4.293 1.00 0.00 C ATOM 921 CZ TYR A 58 2.076 5.281 4.655 1.00 0.00 C ATOM 922 OH TYR A 58 2.840 4.179 4.420 1.00 0.00 O ATOM 0 H TYR A 58 -0.915 7.126 7.577 1.00 0.00 H new ATOM 0 HA TYR A 58 0.656 9.601 7.210 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -1.408 8.423 5.319 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.101 9.529 4.944 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.303 8.309 6.051 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.057 6.393 4.267 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.681 6.347 5.530 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.323 4.426 3.802 1.00 0.00 H new ATOM 0 HH TYR A 58 3.663 4.232 4.950 1.00 0.00 H new ATOM 932 N ASP A 59 -2.182 9.516 8.436 1.00 0.00 N ATOM 933 CA ASP A 59 -3.398 10.173 8.933 1.00 0.00 C ATOM 934 C ASP A 59 -4.351 10.411 7.779 1.00 0.00 C ATOM 935 O ASP A 59 -4.606 11.545 7.359 1.00 0.00 O ATOM 936 CB ASP A 59 -3.106 11.482 9.684 1.00 0.00 C ATOM 937 CG ASP A 59 -4.289 11.950 10.508 1.00 0.00 C ATOM 938 OD1 ASP A 59 -5.229 12.599 9.974 1.00 0.00 O ATOM 939 OD2 ASP A 59 -4.305 11.667 11.720 1.00 0.00 O ATOM 0 H ASP A 59 -1.957 8.661 8.945 1.00 0.00 H new ATOM 0 HA ASP A 59 -3.861 9.505 9.660 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.245 11.339 10.337 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.837 12.257 8.967 1.00 0.00 H new ATOM 944 N GLN A 60 -4.796 9.343 7.215 1.00 0.00 N ATOM 945 CA GLN A 60 -5.636 9.403 6.065 1.00 0.00 C ATOM 946 C GLN A 60 -6.708 8.341 6.163 1.00 0.00 C ATOM 947 O GLN A 60 -6.483 7.292 6.760 1.00 0.00 O ATOM 948 CB GLN A 60 -4.755 9.230 4.815 1.00 0.00 C ATOM 949 CG GLN A 60 -5.480 9.266 3.488 1.00 0.00 C ATOM 950 CD GLN A 60 -4.529 9.397 2.331 1.00 0.00 C ATOM 951 OE1 GLN A 60 -4.201 10.502 1.909 1.00 0.00 O ATOM 952 NE2 GLN A 60 -4.061 8.292 1.822 1.00 0.00 N ATOM 0 H GLN A 60 -4.588 8.398 7.538 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.144 10.365 5.998 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.998 10.015 4.816 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.228 8.279 4.894 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.069 8.356 3.372 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.179 10.102 3.479 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.357 7.392 2.199 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.399 8.328 1.047 1.00 0.00 H new ATOM 961 N SER A 61 -7.865 8.639 5.634 1.00 0.00 N ATOM 962 CA SER A 61 -8.974 7.722 5.617 1.00 0.00 C ATOM 963 C SER A 61 -8.623 6.492 4.775 1.00 0.00 C ATOM 964 O SER A 61 -7.964 6.628 3.719 1.00 0.00 O ATOM 965 CB SER A 61 -10.213 8.433 5.040 1.00 0.00 C ATOM 966 OG SER A 61 -11.329 7.554 4.914 1.00 0.00 O ATOM 0 H SER A 61 -8.067 9.538 5.197 1.00 0.00 H new ATOM 0 HA SER A 61 -9.192 7.393 6.633 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.483 9.270 5.685 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.969 8.849 4.063 1.00 0.00 H new ATOM 0 HG SER A 61 -12.093 8.046 4.546 1.00 0.00 H new ATOM 972 N PRO A 62 -9.032 5.274 5.226 1.00 0.00 N ATOM 973 CA PRO A 62 -8.793 4.025 4.493 1.00 0.00 C ATOM 974 C PRO A 62 -9.302 4.107 3.052 1.00 0.00 C ATOM 975 O PRO A 62 -8.685 3.554 2.137 1.00 0.00 O ATOM 976 CB PRO A 62 -9.598 2.985 5.282 1.00 0.00 C ATOM 977 CG PRO A 62 -9.669 3.536 6.662 1.00 0.00 C ATOM 978 CD PRO A 62 -9.743 5.028 6.507 1.00 0.00 C ATOM 0 HA PRO A 62 -7.731 3.789 4.418 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -10.593 2.848 4.858 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -9.109 2.011 5.268 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -10.543 3.155 7.190 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.794 3.247 7.243 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.775 5.378 6.468 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -9.263 5.543 7.339 1.00 0.00 H new ATOM 986 N SER A 63 -10.397 4.831 2.860 1.00 0.00 N ATOM 987 CA SER A 63 -11.000 5.028 1.559 1.00 0.00 C ATOM 988 C SER A 63 -10.010 5.729 0.622 1.00 0.00 C ATOM 989 O SER A 63 -9.675 5.215 -0.452 1.00 0.00 O ATOM 990 CB SER A 63 -12.247 5.886 1.738 1.00 0.00 C ATOM 991 OG SER A 63 -13.049 5.373 2.790 1.00 0.00 O ATOM 0 H SER A 63 -10.894 5.302 3.616 1.00 0.00 H new ATOM 0 HA SER A 63 -11.266 4.067 1.119 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.961 6.915 1.958 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.820 5.906 0.811 1.00 0.00 H new ATOM 0 HG SER A 63 -13.846 5.933 2.897 1.00 0.00 H new ATOM 997 N VAL A 64 -9.493 6.857 1.082 1.00 0.00 N ATOM 998 CA VAL A 64 -8.574 7.665 0.303 1.00 0.00 C ATOM 999 C VAL A 64 -7.267 6.908 0.102 1.00 0.00 C ATOM 1000 O VAL A 64 -6.696 6.921 -0.981 1.00 0.00 O ATOM 1001 CB VAL A 64 -8.291 9.028 0.994 1.00 0.00 C ATOM 1002 CG1 VAL A 64 -7.436 9.934 0.112 1.00 0.00 C ATOM 1003 CG2 VAL A 64 -9.593 9.721 1.369 1.00 0.00 C ATOM 0 H VAL A 64 -9.700 7.237 2.006 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.036 7.866 -0.663 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.730 8.826 1.906 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.257 10.879 0.626 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -6.483 9.447 -0.094 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -7.956 10.124 -0.827 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.373 10.673 1.851 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.183 9.898 0.470 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.157 9.089 2.055 1.00 0.00 H new ATOM 1013 N LEU A 65 -6.831 6.211 1.151 1.00 0.00 N ATOM 1014 CA LEU A 65 -5.603 5.420 1.129 1.00 0.00 C ATOM 1015 C LEU A 65 -5.677 4.379 -0.002 1.00 0.00 C ATOM 1016 O LEU A 65 -4.771 4.298 -0.837 1.00 0.00 O ATOM 1017 CB LEU A 65 -5.400 4.759 2.528 1.00 0.00 C ATOM 1018 CG LEU A 65 -4.021 4.128 2.880 1.00 0.00 C ATOM 1019 CD1 LEU A 65 -3.717 2.880 2.077 1.00 0.00 C ATOM 1020 CD2 LEU A 65 -2.905 5.144 2.721 1.00 0.00 C ATOM 0 H LEU A 65 -7.323 6.180 2.044 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.740 6.055 0.928 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.616 5.516 3.282 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.154 3.979 2.634 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.082 3.823 3.925 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.743 2.488 2.369 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.483 2.128 2.269 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.707 3.124 1.015 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.952 4.680 2.973 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.877 5.495 1.689 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.084 5.988 3.387 1.00 0.00 H new ATOM 1032 N THR A 66 -6.771 3.639 -0.040 1.00 0.00 N ATOM 1033 CA THR A 66 -6.992 2.624 -1.051 1.00 0.00 C ATOM 1034 C THR A 66 -6.985 3.255 -2.463 1.00 0.00 C ATOM 1035 O THR A 66 -6.290 2.774 -3.372 1.00 0.00 O ATOM 1036 CB THR A 66 -8.342 1.907 -0.798 1.00 0.00 C ATOM 1037 OG1 THR A 66 -8.370 1.404 0.548 1.00 0.00 O ATOM 1038 CG2 THR A 66 -8.546 0.743 -1.764 1.00 0.00 C ATOM 0 H THR A 66 -7.533 3.727 0.633 1.00 0.00 H new ATOM 0 HA THR A 66 -6.184 1.894 -0.992 1.00 0.00 H new ATOM 0 HB THR A 66 -9.142 2.631 -0.954 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.577 2.135 1.166 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.503 0.263 -1.558 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.540 1.115 -2.789 1.00 0.00 H new ATOM 0 HG23 THR A 66 -7.742 0.019 -1.636 1.00 0.00 H new ATOM 1046 N GLU A 67 -7.702 4.366 -2.612 1.00 0.00 N ATOM 1047 CA GLU A 67 -7.814 5.042 -3.894 1.00 0.00 C ATOM 1048 C GLU A 67 -6.476 5.583 -4.384 1.00 0.00 C ATOM 1049 O GLU A 67 -6.204 5.561 -5.585 1.00 0.00 O ATOM 1050 CB GLU A 67 -8.867 6.136 -3.864 1.00 0.00 C ATOM 1051 CG GLU A 67 -10.283 5.616 -3.697 1.00 0.00 C ATOM 1052 CD GLU A 67 -11.301 6.711 -3.781 1.00 0.00 C ATOM 1053 OE1 GLU A 67 -11.552 7.216 -4.891 1.00 0.00 O ATOM 1054 OE2 GLU A 67 -11.873 7.101 -2.740 1.00 0.00 O ATOM 0 H GLU A 67 -8.215 4.816 -1.854 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.137 4.288 -4.611 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.643 6.822 -3.047 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.807 6.711 -4.788 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.488 4.872 -4.466 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.372 5.112 -2.734 1.00 0.00 H new ATOM 1061 N GLN A 68 -5.639 6.049 -3.464 1.00 0.00 N ATOM 1062 CA GLN A 68 -4.305 6.521 -3.799 1.00 0.00 C ATOM 1063 C GLN A 68 -3.508 5.410 -4.445 1.00 0.00 C ATOM 1064 O GLN A 68 -3.022 5.551 -5.561 1.00 0.00 O ATOM 1065 CB GLN A 68 -3.587 7.020 -2.551 1.00 0.00 C ATOM 1066 CG GLN A 68 -4.125 8.323 -1.997 1.00 0.00 C ATOM 1067 CD GLN A 68 -3.985 9.473 -2.981 1.00 0.00 C ATOM 1068 OE1 GLN A 68 -2.978 10.168 -3.000 1.00 0.00 O ATOM 1069 NE2 GLN A 68 -4.982 9.689 -3.788 1.00 0.00 N ATOM 0 H GLN A 68 -5.866 6.109 -2.471 1.00 0.00 H new ATOM 0 HA GLN A 68 -4.396 7.348 -4.503 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.655 6.255 -1.777 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -2.529 7.147 -2.782 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.176 8.197 -1.736 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -3.596 8.569 -1.077 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.808 9.093 -3.749 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -4.937 10.455 -4.460 1.00 0.00 H new ATOM 1078 N LEU A 69 -3.444 4.289 -3.757 1.00 0.00 N ATOM 1079 CA LEU A 69 -2.742 3.106 -4.208 1.00 0.00 C ATOM 1080 C LEU A 69 -3.198 2.657 -5.598 1.00 0.00 C ATOM 1081 O LEU A 69 -2.378 2.340 -6.465 1.00 0.00 O ATOM 1082 CB LEU A 69 -2.927 1.989 -3.178 1.00 0.00 C ATOM 1083 CG LEU A 69 -1.931 1.938 -2.003 1.00 0.00 C ATOM 1084 CD1 LEU A 69 -1.708 3.291 -1.383 1.00 0.00 C ATOM 1085 CD2 LEU A 69 -2.406 0.961 -0.953 1.00 0.00 C ATOM 0 H LEU A 69 -3.890 4.173 -2.847 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.683 3.347 -4.297 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.932 2.075 -2.765 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.878 1.035 -3.703 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.976 1.603 -2.408 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.999 3.202 -0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.309 3.974 -2.133 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.654 3.679 -1.006 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.692 0.936 -0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.381 1.274 -0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.488 -0.033 -1.392 1.00 0.00 H new ATOM 1097 N ILE A 70 -4.482 2.672 -5.815 1.00 0.00 N ATOM 1098 CA ILE A 70 -5.045 2.288 -7.094 1.00 0.00 C ATOM 1099 C ILE A 70 -4.677 3.302 -8.182 1.00 0.00 C ATOM 1100 O ILE A 70 -4.326 2.929 -9.295 1.00 0.00 O ATOM 1101 CB ILE A 70 -6.571 2.121 -6.974 1.00 0.00 C ATOM 1102 CG1 ILE A 70 -6.854 1.021 -5.960 1.00 0.00 C ATOM 1103 CG2 ILE A 70 -7.207 1.787 -8.328 1.00 0.00 C ATOM 1104 CD1 ILE A 70 -8.295 0.864 -5.620 1.00 0.00 C ATOM 0 H ILE A 70 -5.173 2.949 -5.118 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.620 1.328 -7.388 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.012 3.060 -6.640 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.479 0.075 -6.352 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.297 1.231 -5.047 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.284 1.676 -8.206 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.003 2.592 -9.034 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.787 0.856 -8.707 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -8.412 0.061 -4.892 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.673 1.795 -5.197 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -8.857 0.621 -6.522 1.00 0.00 H new ATOM 1116 N SER A 71 -4.675 4.570 -7.825 1.00 0.00 N ATOM 1117 CA SER A 71 -4.351 5.632 -8.764 1.00 0.00 C ATOM 1118 C SER A 71 -2.846 5.647 -9.088 1.00 0.00 C ATOM 1119 O SER A 71 -2.428 6.160 -10.126 1.00 0.00 O ATOM 1120 CB SER A 71 -4.809 6.979 -8.205 1.00 0.00 C ATOM 1121 OG SER A 71 -6.196 6.927 -7.870 1.00 0.00 O ATOM 0 H SER A 71 -4.896 4.895 -6.884 1.00 0.00 H new ATOM 0 HA SER A 71 -4.881 5.445 -9.698 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.223 7.233 -7.322 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.634 7.765 -8.940 1.00 0.00 H new ATOM 0 HG SER A 71 -6.307 6.477 -7.007 1.00 0.00 H new ATOM 1127 N TRP A 72 -2.035 5.091 -8.193 1.00 0.00 N ATOM 1128 CA TRP A 72 -0.600 4.975 -8.441 1.00 0.00 C ATOM 1129 C TRP A 72 -0.306 3.696 -9.212 1.00 0.00 C ATOM 1130 O TRP A 72 0.776 3.523 -9.751 1.00 0.00 O ATOM 1131 CB TRP A 72 0.214 4.965 -7.140 1.00 0.00 C ATOM 1132 CG TRP A 72 0.036 6.169 -6.270 1.00 0.00 C ATOM 1133 CD1 TRP A 72 -0.268 7.435 -6.662 1.00 0.00 C ATOM 1134 CD2 TRP A 72 0.195 6.219 -4.852 1.00 0.00 C ATOM 1135 NE1 TRP A 72 -0.351 8.258 -5.573 1.00 0.00 N ATOM 1136 CE2 TRP A 72 -0.062 7.540 -4.450 1.00 0.00 C ATOM 1137 CE3 TRP A 72 0.517 5.270 -3.888 1.00 0.00 C ATOM 1138 CZ2 TRP A 72 -0.005 7.938 -3.117 1.00 0.00 C ATOM 1139 CZ3 TRP A 72 0.576 5.666 -2.565 1.00 0.00 C ATOM 1140 CH2 TRP A 72 0.316 6.989 -2.191 1.00 0.00 C ATOM 0 H TRP A 72 -2.343 4.716 -7.296 1.00 0.00 H new ATOM 0 HA TRP A 72 -0.305 5.849 -9.023 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -0.058 4.079 -6.567 1.00 0.00 H new ATOM 0 HB3 TRP A 72 1.270 4.871 -7.391 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -0.422 7.746 -7.685 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -0.590 9.249 -5.597 1.00 0.00 H new ATOM 0 HE3 TRP A 72 0.717 4.246 -4.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -0.207 8.959 -2.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 0.828 4.940 -1.806 1.00 0.00 H new ATOM 0 HH2 TRP A 72 0.371 7.264 -1.148 1.00 0.00 H new ATOM 1151 N GLY A 73 -1.272 2.797 -9.233 1.00 0.00 N ATOM 1152 CA GLY A 73 -1.110 1.542 -9.935 1.00 0.00 C ATOM 1153 C GLY A 73 -0.390 0.523 -9.087 1.00 0.00 C ATOM 1154 O GLY A 73 0.210 -0.426 -9.597 1.00 0.00 O ATOM 0 H GLY A 73 -2.175 2.914 -8.772 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.088 1.154 -10.220 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.553 1.709 -10.857 1.00 0.00 H new ATOM 1158 N VAL A 74 -0.438 0.720 -7.782 1.00 0.00 N ATOM 1159 CA VAL A 74 0.224 -0.179 -6.874 1.00 0.00 C ATOM 1160 C VAL A 74 -0.763 -1.155 -6.235 1.00 0.00 C ATOM 1161 O VAL A 74 -0.363 -2.108 -5.577 1.00 0.00 O ATOM 1162 CB VAL A 74 1.058 0.568 -5.794 1.00 0.00 C ATOM 1163 CG1 VAL A 74 2.090 1.463 -6.442 1.00 0.00 C ATOM 1164 CG2 VAL A 74 0.196 1.377 -4.862 1.00 0.00 C ATOM 0 H VAL A 74 -0.929 1.494 -7.335 1.00 0.00 H new ATOM 0 HA VAL A 74 0.930 -0.757 -7.471 1.00 0.00 H new ATOM 0 HB VAL A 74 1.560 -0.196 -5.201 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.663 1.976 -5.670 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.763 0.860 -7.052 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.590 2.198 -7.072 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.826 1.879 -4.127 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.358 2.121 -5.433 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.504 0.717 -4.350 1.00 0.00 H new ATOM 1174 N LEU A 75 -2.046 -0.928 -6.469 1.00 0.00 N ATOM 1175 CA LEU A 75 -3.095 -1.766 -5.910 1.00 0.00 C ATOM 1176 C LEU A 75 -4.202 -1.927 -6.950 1.00 0.00 C ATOM 1177 O LEU A 75 -4.388 -1.035 -7.803 1.00 0.00 O ATOM 1178 CB LEU A 75 -3.643 -1.118 -4.634 1.00 0.00 C ATOM 1179 CG LEU A 75 -4.656 -1.919 -3.815 1.00 0.00 C ATOM 1180 CD1 LEU A 75 -4.018 -3.174 -3.235 1.00 0.00 C ATOM 1181 CD2 LEU A 75 -5.238 -1.054 -2.709 1.00 0.00 C ATOM 0 H LEU A 75 -2.388 -0.162 -7.049 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.698 -2.748 -5.654 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.798 -0.882 -3.987 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.107 -0.171 -4.910 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.464 -2.230 -4.478 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.760 -3.725 -2.657 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.649 -3.802 -4.046 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.188 -2.894 -2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.958 -1.636 -2.133 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.437 -0.715 -2.052 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.737 -0.190 -3.147 1.00 0.00 H new ATOM 1193 N ASP A 76 -4.920 -3.034 -6.893 1.00 0.00 N ATOM 1194 CA ASP A 76 -5.956 -3.338 -7.880 1.00 0.00 C ATOM 1195 C ASP A 76 -7.335 -2.774 -7.478 1.00 0.00 C ATOM 1196 O ASP A 76 -7.612 -2.565 -6.299 1.00 0.00 O ATOM 1197 CB ASP A 76 -6.044 -4.849 -8.103 1.00 0.00 C ATOM 1198 CG ASP A 76 -7.022 -5.213 -9.182 1.00 0.00 C ATOM 1199 OD1 ASP A 76 -6.675 -5.105 -10.371 1.00 0.00 O ATOM 1200 OD2 ASP A 76 -8.162 -5.574 -8.860 1.00 0.00 O ATOM 0 H ASP A 76 -4.808 -3.746 -6.171 1.00 0.00 H new ATOM 0 HA ASP A 76 -5.669 -2.849 -8.811 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -5.058 -5.233 -8.366 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.337 -5.334 -7.172 1.00 0.00 H new ATOM 1205 N ALA A 77 -8.199 -2.567 -8.475 1.00 0.00 N ATOM 1206 CA ALA A 77 -9.543 -2.015 -8.297 1.00 0.00 C ATOM 1207 C ALA A 77 -10.486 -2.952 -7.508 1.00 0.00 C ATOM 1208 O ALA A 77 -11.531 -2.531 -7.039 1.00 0.00 O ATOM 1209 CB ALA A 77 -10.145 -1.689 -9.654 1.00 0.00 C ATOM 0 H ALA A 77 -7.979 -2.783 -9.447 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.439 -1.108 -7.702 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -11.146 -1.278 -9.519 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.518 -0.957 -10.164 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.204 -2.597 -10.254 1.00 0.00 H new ATOM 1215 N ASP A 78 -10.135 -4.201 -7.388 1.00 0.00 N ATOM 1216 CA ASP A 78 -10.948 -5.166 -6.604 1.00 0.00 C ATOM 1217 C ASP A 78 -10.818 -4.883 -5.114 1.00 0.00 C ATOM 1218 O ASP A 78 -11.749 -5.092 -4.338 1.00 0.00 O ATOM 1219 CB ASP A 78 -10.539 -6.605 -6.913 1.00 0.00 C ATOM 1220 CG ASP A 78 -11.276 -7.654 -6.094 1.00 0.00 C ATOM 1221 OD1 ASP A 78 -12.442 -7.983 -6.408 1.00 0.00 O ATOM 1222 OD2 ASP A 78 -10.683 -8.194 -5.142 1.00 0.00 O ATOM 0 H ASP A 78 -9.298 -4.601 -7.812 1.00 0.00 H new ATOM 0 HA ASP A 78 -11.992 -5.043 -6.892 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -10.711 -6.800 -7.971 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.468 -6.711 -6.739 1.00 0.00 H new ATOM 1227 N ALA A 79 -9.677 -4.314 -4.744 1.00 0.00 N ATOM 1228 CA ALA A 79 -9.357 -3.966 -3.357 1.00 0.00 C ATOM 1229 C ALA A 79 -10.353 -2.961 -2.780 1.00 0.00 C ATOM 1230 O ALA A 79 -10.542 -2.885 -1.575 1.00 0.00 O ATOM 1231 CB ALA A 79 -7.955 -3.417 -3.265 1.00 0.00 C ATOM 0 H ALA A 79 -8.936 -4.077 -5.404 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.426 -4.879 -2.766 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.731 -3.163 -2.229 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.247 -4.168 -3.616 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.873 -2.523 -3.884 1.00 0.00 H new ATOM 1237 N ARG A 80 -10.990 -2.202 -3.663 1.00 0.00 N ATOM 1238 CA ARG A 80 -11.971 -1.166 -3.292 1.00 0.00 C ATOM 1239 C ARG A 80 -13.126 -1.753 -2.490 1.00 0.00 C ATOM 1240 O ARG A 80 -13.772 -1.052 -1.718 1.00 0.00 O ATOM 1241 CB ARG A 80 -12.530 -0.513 -4.544 1.00 0.00 C ATOM 1242 CG ARG A 80 -11.463 0.041 -5.446 1.00 0.00 C ATOM 1243 CD ARG A 80 -12.025 0.605 -6.724 1.00 0.00 C ATOM 1244 NE ARG A 80 -12.796 1.825 -6.479 1.00 0.00 N ATOM 1245 CZ ARG A 80 -13.407 2.560 -7.406 1.00 0.00 C ATOM 1246 NH1 ARG A 80 -13.266 2.280 -8.692 1.00 0.00 N ATOM 1247 NH2 ARG A 80 -14.127 3.604 -7.045 1.00 0.00 N ATOM 0 H ARG A 80 -10.845 -2.282 -4.669 1.00 0.00 H new ATOM 0 HA ARG A 80 -11.455 -0.429 -2.676 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.120 -1.245 -5.096 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -13.207 0.291 -4.256 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -10.915 0.821 -4.918 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -10.748 -0.746 -5.684 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -11.211 0.821 -7.417 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -12.662 -0.139 -7.202 1.00 0.00 H new ATOM 0 HE ARG A 80 -12.872 2.140 -5.512 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -12.684 1.494 -8.982 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -13.739 2.850 -9.393 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -14.215 3.846 -6.058 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -14.596 4.169 -7.753 1.00 0.00 H new ATOM 1261 N ARG A 81 -13.357 -3.043 -2.653 1.00 0.00 N ATOM 1262 CA ARG A 81 -14.451 -3.722 -1.981 1.00 0.00 C ATOM 1263 C ARG A 81 -14.134 -3.931 -0.496 1.00 0.00 C ATOM 1264 O ARG A 81 -15.016 -4.241 0.297 1.00 0.00 O ATOM 1265 CB ARG A 81 -14.772 -5.045 -2.683 1.00 0.00 C ATOM 1266 CG ARG A 81 -15.040 -4.867 -4.171 1.00 0.00 C ATOM 1267 CD ARG A 81 -15.383 -6.168 -4.862 1.00 0.00 C ATOM 1268 NE ARG A 81 -15.428 -5.989 -6.319 1.00 0.00 N ATOM 1269 CZ ARG A 81 -16.018 -6.808 -7.190 1.00 0.00 C ATOM 1270 NH1 ARG A 81 -16.745 -7.836 -6.766 1.00 0.00 N ATOM 1271 NH2 ARG A 81 -15.881 -6.594 -8.498 1.00 0.00 N ATOM 0 H ARG A 81 -12.795 -3.648 -3.252 1.00 0.00 H new ATOM 0 HA ARG A 81 -15.339 -3.092 -2.038 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -13.940 -5.736 -2.547 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.644 -5.500 -2.212 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -15.860 -4.161 -4.307 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -14.161 -4.430 -4.645 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -14.643 -6.926 -4.607 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -16.347 -6.531 -4.506 1.00 0.00 H new ATOM 0 HE ARG A 81 -14.966 -5.163 -6.699 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -16.856 -8.004 -5.766 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -17.192 -8.457 -7.440 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -15.326 -5.805 -8.830 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -16.331 -7.219 -9.167 1.00 0.00 H new