USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 568 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 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 58 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 45 THR OG1 : rot -128:sc=-0.00922 USER MOD Set 2.2: A 74 THR OG1 : rot -150:sc= 0.793 USER MOD Set 2.3: A 88 SER OG : rot -88:sc= 0.699 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0619 USER MOD Single : A 25 THR OG1 : rot 40:sc= 0.0965 USER MOD Single : A 39 SER OG : rot 160:sc= 0.23 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 131:sc= -2.47! (180deg=-3.82!) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 52 GLN : amide:sc= -0.0131 X(o=-0.013,f=-0.013) USER MOD Single : A 57 ASN :FLIP amide:sc= 0.0618! F(o=-1.2,f=0.062!) USER MOD Single : A 59 SER OG : rot 180:sc=-0.00825 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.37 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot -16:sc= -0.382 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.966 K(o=-0.97,f=-6!) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.722 K(o=-0.72,f=-1.9) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc=-0.00681 X(o=-0.0068,f=-0.47) USER MOD Single : A 94 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0611) USER MOD ----------------------------------------------------------------- ATOM 105 N ALA A 11 5.593 3.865 2.343 1.00 0.00 N ATOM 106 CA ALA A 11 4.362 3.264 1.845 1.00 0.00 C ATOM 107 C ALA A 11 3.372 4.333 1.395 1.00 0.00 C ATOM 108 O ALA A 11 2.159 4.138 1.465 1.00 0.00 O ATOM 109 CB ALA A 11 3.738 2.379 2.913 1.00 0.00 C ATOM 0 HA ALA A 11 4.610 2.650 0.980 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.819 1.937 2.528 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.437 1.587 3.183 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.510 2.978 3.795 1.00 0.00 H new ATOM 115 N GLY A 12 3.898 5.463 0.933 1.00 0.00 N ATOM 116 CA GLY A 12 3.045 6.547 0.480 1.00 0.00 C ATOM 117 C GLY A 12 2.274 7.191 1.614 1.00 0.00 C ATOM 118 O GLY A 12 2.097 6.608 2.684 1.00 0.00 O ATOM 0 H GLY A 12 4.899 5.647 0.864 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.655 7.302 -0.015 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.343 6.167 -0.262 1.00 0.00 H new ATOM 122 N PRO A 13 1.801 8.426 1.387 1.00 0.00 N ATOM 123 CA PRO A 13 1.038 9.178 2.388 1.00 0.00 C ATOM 124 C PRO A 13 -0.347 8.585 2.627 1.00 0.00 C ATOM 125 O PRO A 13 -0.736 7.612 1.980 1.00 0.00 O ATOM 126 CB PRO A 13 0.923 10.574 1.770 1.00 0.00 C ATOM 127 CG PRO A 13 1.041 10.350 0.302 1.00 0.00 C ATOM 128 CD PRO A 13 1.974 9.182 0.136 1.00 0.00 C ATOM 0 HA PRO A 13 1.524 9.167 3.364 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.028 11.042 2.024 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.710 11.234 2.134 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.067 10.138 -0.140 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.432 11.236 -0.198 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.714 8.581 -0.736 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.006 9.508 0.003 1.00 0.00 H new ATOM 136 N ASP A 14 -1.086 9.177 3.558 1.00 0.00 N ATOM 137 CA ASP A 14 -2.428 8.709 3.881 1.00 0.00 C ATOM 138 C ASP A 14 -3.260 8.527 2.615 1.00 0.00 C ATOM 139 O ASP A 14 -3.154 9.311 1.672 1.00 0.00 O ATOM 140 CB ASP A 14 -3.122 9.692 4.825 1.00 0.00 C ATOM 141 CG ASP A 14 -3.539 10.970 4.125 1.00 0.00 C ATOM 142 OD1 ASP A 14 -2.742 11.492 3.318 1.00 0.00 O ATOM 143 OD2 ASP A 14 -4.663 11.449 4.384 1.00 0.00 O ATOM 0 H ASP A 14 -0.778 9.983 4.103 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.338 7.743 4.378 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.001 9.215 5.259 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.451 9.935 5.649 1.00 0.00 H new ATOM 148 N LYS A 15 -4.087 7.488 2.601 1.00 0.00 N ATOM 149 CA LYS A 15 -4.938 7.202 1.451 1.00 0.00 C ATOM 150 C LYS A 15 -6.407 7.438 1.789 1.00 0.00 C ATOM 151 O LYS A 15 -6.916 6.917 2.781 1.00 0.00 O ATOM 152 CB LYS A 15 -4.736 5.758 0.988 1.00 0.00 C ATOM 153 CG LYS A 15 -3.477 5.554 0.163 1.00 0.00 C ATOM 154 CD LYS A 15 -3.719 5.852 -1.307 1.00 0.00 C ATOM 155 CE LYS A 15 -2.411 6.033 -2.062 1.00 0.00 C ATOM 156 NZ LYS A 15 -2.593 6.840 -3.300 1.00 0.00 N ATOM 0 H LYS A 15 -4.187 6.829 3.373 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.656 7.879 0.644 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.697 5.107 1.862 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.600 5.450 0.399 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.685 6.201 0.541 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.130 4.527 0.275 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.289 5.038 -1.755 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.323 6.754 -1.402 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.682 6.521 -1.414 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.003 5.056 -2.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.679 6.941 -3.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.269 6.362 -3.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.958 7.781 -3.050 1.00 0.00 H new ATOM 170 N GLU A 16 -7.082 8.226 0.958 1.00 0.00 N ATOM 171 CA GLU A 16 -8.492 8.529 1.170 1.00 0.00 C ATOM 172 C GLU A 16 -9.291 8.329 -0.115 1.00 0.00 C ATOM 173 O GLU A 16 -9.153 9.094 -1.070 1.00 0.00 O ATOM 174 CB GLU A 16 -8.658 9.967 1.668 1.00 0.00 C ATOM 175 CG GLU A 16 -9.886 10.171 2.539 1.00 0.00 C ATOM 176 CD GLU A 16 -10.258 11.633 2.689 1.00 0.00 C ATOM 177 OE1 GLU A 16 -10.802 12.210 1.725 1.00 0.00 O ATOM 178 OE2 GLU A 16 -10.004 12.201 3.773 1.00 0.00 O ATOM 0 H GLU A 16 -6.675 8.666 0.132 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.875 7.843 1.926 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.771 10.252 2.233 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.717 10.636 0.809 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.727 9.628 2.108 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.703 9.744 3.525 1.00 0.00 H new ATOM 185 N LEU A 17 -10.125 7.295 -0.130 1.00 0.00 N ATOM 186 CA LEU A 17 -10.946 6.992 -1.297 1.00 0.00 C ATOM 187 C LEU A 17 -12.430 7.062 -0.952 1.00 0.00 C ATOM 188 O LEU A 17 -12.818 6.902 0.206 1.00 0.00 O ATOM 189 CB LEU A 17 -10.602 5.605 -1.842 1.00 0.00 C ATOM 190 CG LEU A 17 -9.122 5.224 -1.821 1.00 0.00 C ATOM 191 CD1 LEU A 17 -8.960 3.712 -1.773 1.00 0.00 C ATOM 192 CD2 LEU A 17 -8.405 5.800 -3.033 1.00 0.00 C ATOM 0 H LEU A 17 -10.250 6.653 0.652 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.734 7.739 -2.063 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.156 4.863 -1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -10.958 5.542 -2.870 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.671 5.646 -0.923 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.900 3.460 -1.759 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.438 3.323 -0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.427 3.268 -2.652 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.352 5.518 -3.001 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.858 5.408 -3.944 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.490 6.887 -3.024 1.00 0.00 H new ATOM 204 N THR A 18 -13.258 7.300 -1.964 1.00 0.00 N ATOM 205 CA THR A 18 -14.699 7.390 -1.769 1.00 0.00 C ATOM 206 C THR A 18 -15.451 6.665 -2.879 1.00 0.00 C ATOM 207 O THR A 18 -15.331 7.013 -4.054 1.00 0.00 O ATOM 208 CB THR A 18 -15.169 8.856 -1.719 1.00 0.00 C ATOM 209 OG1 THR A 18 -14.457 9.564 -0.697 1.00 0.00 O ATOM 210 CG2 THR A 18 -16.664 8.936 -1.450 1.00 0.00 C ATOM 0 H THR A 18 -12.954 7.434 -2.928 1.00 0.00 H new ATOM 0 HA THR A 18 -14.918 6.913 -0.814 1.00 0.00 H new ATOM 0 HB THR A 18 -14.965 9.313 -2.687 1.00 0.00 H new ATOM 0 HG1 THR A 18 -14.760 10.496 -0.672 1.00 0.00 H new ATOM 0 HG21 THR A 18 -16.973 9.981 -1.419 1.00 0.00 H new ATOM 0 HG22 THR A 18 -17.205 8.421 -2.244 1.00 0.00 H new ATOM 0 HG23 THR A 18 -16.887 8.463 -0.494 1.00 0.00 H new ATOM 218 N LEU A 19 -16.228 5.656 -2.499 1.00 0.00 N ATOM 219 CA LEU A 19 -17.001 4.882 -3.464 1.00 0.00 C ATOM 220 C LEU A 19 -17.629 5.791 -4.515 1.00 0.00 C ATOM 221 O LEU A 19 -17.798 6.994 -4.310 1.00 0.00 O ATOM 222 CB LEU A 19 -18.091 4.081 -2.748 1.00 0.00 C ATOM 223 CG LEU A 19 -17.678 2.706 -2.223 1.00 0.00 C ATOM 224 CD1 LEU A 19 -17.546 1.715 -3.369 1.00 0.00 C ATOM 225 CD2 LEU A 19 -16.374 2.801 -1.445 1.00 0.00 C ATOM 0 H LEU A 19 -16.339 5.355 -1.531 1.00 0.00 H new ATOM 0 HA LEU A 19 -16.322 4.193 -3.967 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -18.457 4.673 -1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -18.927 3.949 -3.434 1.00 0.00 H new ATOM 0 HG LEU A 19 -18.455 2.348 -1.548 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -17.251 0.742 -2.976 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -18.503 1.624 -3.884 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -16.789 2.068 -4.070 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -16.096 1.813 -1.079 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -15.588 3.181 -2.098 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -16.503 3.478 -0.600 1.00 0.00 H new ATOM 237 N PRO A 20 -17.987 5.206 -5.667 1.00 0.00 N ATOM 238 CA PRO A 20 -17.791 3.776 -5.923 1.00 0.00 C ATOM 239 C PRO A 20 -16.319 3.412 -6.081 1.00 0.00 C ATOM 240 O PRO A 20 -15.972 2.242 -6.247 1.00 0.00 O ATOM 241 CB PRO A 20 -18.543 3.544 -7.235 1.00 0.00 C ATOM 242 CG PRO A 20 -18.547 4.872 -7.910 1.00 0.00 C ATOM 243 CD PRO A 20 -18.610 5.895 -6.810 1.00 0.00 C ATOM 0 HA PRO A 20 -18.148 3.161 -5.097 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -18.048 2.790 -7.847 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -19.558 3.190 -7.052 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -17.650 5.005 -8.516 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -19.401 4.967 -8.580 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -18.069 6.804 -7.075 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -19.637 6.188 -6.592 1.00 0.00 H new ATOM 251 N VAL A 21 -15.455 4.421 -6.029 1.00 0.00 N ATOM 252 CA VAL A 21 -14.020 4.207 -6.164 1.00 0.00 C ATOM 253 C VAL A 21 -13.540 3.093 -5.240 1.00 0.00 C ATOM 254 O VAL A 21 -13.249 3.328 -4.067 1.00 0.00 O ATOM 255 CB VAL A 21 -13.229 5.492 -5.855 1.00 0.00 C ATOM 256 CG1 VAL A 21 -11.736 5.254 -6.026 1.00 0.00 C ATOM 257 CG2 VAL A 21 -13.699 6.633 -6.744 1.00 0.00 C ATOM 0 H VAL A 21 -15.725 5.395 -5.894 1.00 0.00 H new ATOM 0 HA VAL A 21 -13.840 3.918 -7.200 1.00 0.00 H new ATOM 0 HB VAL A 21 -13.413 5.770 -4.817 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -11.193 6.173 -5.804 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.413 4.467 -5.344 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -11.531 4.951 -7.053 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -13.130 7.533 -6.512 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -13.546 6.366 -7.790 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -14.759 6.819 -6.568 1.00 0.00 H new ATOM 267 N ASP A 22 -13.460 1.880 -5.776 1.00 0.00 N ATOM 268 CA ASP A 22 -13.014 0.729 -5.000 1.00 0.00 C ATOM 269 C ASP A 22 -11.734 0.142 -5.586 1.00 0.00 C ATOM 270 O ASP A 22 -11.559 -1.076 -5.624 1.00 0.00 O ATOM 271 CB ASP A 22 -14.108 -0.339 -4.958 1.00 0.00 C ATOM 272 CG ASP A 22 -15.115 -0.093 -3.852 1.00 0.00 C ATOM 273 OD1 ASP A 22 -15.006 0.948 -3.170 1.00 0.00 O ATOM 274 OD2 ASP A 22 -16.014 -0.940 -3.670 1.00 0.00 O ATOM 0 H ASP A 22 -13.698 1.668 -6.745 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.806 1.065 -3.984 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.625 -0.363 -5.917 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -13.650 -1.318 -4.818 1.00 0.00 H new ATOM 279 N SER A 23 -10.843 1.015 -6.043 1.00 0.00 N ATOM 280 CA SER A 23 -9.580 0.583 -6.631 1.00 0.00 C ATOM 281 C SER A 23 -8.528 1.683 -6.528 1.00 0.00 C ATOM 282 O SER A 23 -8.789 2.842 -6.849 1.00 0.00 O ATOM 283 CB SER A 23 -9.784 0.193 -8.097 1.00 0.00 C ATOM 284 OG SER A 23 -10.356 1.260 -8.834 1.00 0.00 O ATOM 0 H SER A 23 -10.972 2.027 -6.018 1.00 0.00 H new ATOM 0 HA SER A 23 -9.227 -0.286 -6.076 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.827 -0.086 -8.539 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.431 -0.682 -8.157 1.00 0.00 H new ATOM 0 HG SER A 23 -10.475 0.986 -9.767 1.00 0.00 H new ATOM 290 N THR A 24 -7.334 1.310 -6.076 1.00 0.00 N ATOM 291 CA THR A 24 -6.242 2.263 -5.928 1.00 0.00 C ATOM 292 C THR A 24 -4.891 1.588 -6.142 1.00 0.00 C ATOM 293 O THR A 24 -4.803 0.363 -6.221 1.00 0.00 O ATOM 294 CB THR A 24 -6.257 2.924 -4.536 1.00 0.00 C ATOM 295 OG1 THR A 24 -5.402 4.072 -4.530 1.00 0.00 O ATOM 296 CG2 THR A 24 -5.805 1.942 -3.466 1.00 0.00 C ATOM 0 H THR A 24 -7.100 0.355 -5.806 1.00 0.00 H new ATOM 0 HA THR A 24 -6.387 3.030 -6.688 1.00 0.00 H new ATOM 0 HB THR A 24 -7.279 3.232 -4.315 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.418 4.487 -3.643 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.824 2.431 -2.492 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.476 1.083 -3.454 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.791 1.607 -3.684 1.00 0.00 H new ATOM 304 N THR A 25 -3.840 2.396 -6.235 1.00 0.00 N ATOM 305 CA THR A 25 -2.493 1.877 -6.441 1.00 0.00 C ATOM 306 C THR A 25 -1.538 2.386 -5.368 1.00 0.00 C ATOM 307 O THR A 25 -1.457 3.589 -5.113 1.00 0.00 O ATOM 308 CB THR A 25 -1.946 2.269 -7.827 1.00 0.00 C ATOM 309 OG1 THR A 25 -2.094 3.678 -8.031 1.00 0.00 O ATOM 310 CG2 THR A 25 -2.672 1.512 -8.929 1.00 0.00 C ATOM 0 H THR A 25 -3.895 3.412 -6.171 1.00 0.00 H new ATOM 0 HA THR A 25 -2.560 0.791 -6.379 1.00 0.00 H new ATOM 0 HB THR A 25 -0.889 2.006 -7.864 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.885 4.153 -7.199 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.269 1.805 -9.898 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.532 0.440 -8.787 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.736 1.747 -8.892 1.00 0.00 H new ATOM 318 N LEU A 26 -0.815 1.465 -4.741 1.00 0.00 N ATOM 319 CA LEU A 26 0.137 1.821 -3.695 1.00 0.00 C ATOM 320 C LEU A 26 1.572 1.656 -4.185 1.00 0.00 C ATOM 321 O LEU A 26 2.186 0.605 -3.999 1.00 0.00 O ATOM 322 CB LEU A 26 -0.092 0.956 -2.454 1.00 0.00 C ATOM 323 CG LEU A 26 -1.468 1.075 -1.798 1.00 0.00 C ATOM 324 CD1 LEU A 26 -1.808 -0.196 -1.035 1.00 0.00 C ATOM 325 CD2 LEU A 26 -1.515 2.282 -0.873 1.00 0.00 C ATOM 0 H LEU A 26 -0.870 0.466 -4.939 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.021 2.868 -3.436 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.069 -0.087 -2.728 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.665 1.212 -1.713 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.212 1.213 -2.582 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.791 -0.092 -0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.816 -1.042 -1.722 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.061 -0.366 -0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.502 2.351 -0.415 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.760 2.173 -0.094 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.317 3.188 -1.446 1.00 0.00 H new ATOM 337 N ASP A 27 2.102 2.702 -4.809 1.00 0.00 N ATOM 338 CA ASP A 27 3.466 2.675 -5.323 1.00 0.00 C ATOM 339 C ASP A 27 4.462 3.086 -4.243 1.00 0.00 C ATOM 340 O ASP A 27 4.322 4.140 -3.624 1.00 0.00 O ATOM 341 CB ASP A 27 3.597 3.601 -6.534 1.00 0.00 C ATOM 342 CG ASP A 27 3.556 5.067 -6.148 1.00 0.00 C ATOM 343 OD1 ASP A 27 4.605 5.601 -5.732 1.00 0.00 O ATOM 344 OD2 ASP A 27 2.474 5.680 -6.263 1.00 0.00 O ATOM 0 H ASP A 27 1.608 3.579 -4.971 1.00 0.00 H new ATOM 0 HA ASP A 27 3.691 1.654 -5.631 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.534 3.390 -7.050 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.791 3.391 -7.238 1.00 0.00 H new ATOM 349 N GLY A 28 5.468 2.245 -4.022 1.00 0.00 N ATOM 350 CA GLY A 28 6.472 2.538 -3.015 1.00 0.00 C ATOM 351 C GLY A 28 7.861 2.682 -3.606 1.00 0.00 C ATOM 352 O GLY A 28 8.856 2.373 -2.951 1.00 0.00 O ATOM 0 H GLY A 28 5.606 1.367 -4.522 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.204 3.458 -2.496 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.478 1.742 -2.270 1.00 0.00 H new ATOM 493 N ILE A 38 15.674 -3.562 -4.119 1.00 0.00 N ATOM 494 CA ILE A 38 15.544 -4.882 -4.725 1.00 0.00 C ATOM 495 C ILE A 38 14.553 -5.746 -3.953 1.00 0.00 C ATOM 496 O ILE A 38 14.684 -6.969 -3.907 1.00 0.00 O ATOM 497 CB ILE A 38 16.901 -5.608 -4.788 1.00 0.00 C ATOM 498 CG1 ILE A 38 17.415 -5.897 -3.377 1.00 0.00 C ATOM 499 CG2 ILE A 38 17.910 -4.777 -5.566 1.00 0.00 C ATOM 500 CD1 ILE A 38 18.453 -6.997 -3.325 1.00 0.00 C ATOM 0 HA ILE A 38 15.175 -4.729 -5.739 1.00 0.00 H new ATOM 0 HB ILE A 38 16.765 -6.557 -5.306 1.00 0.00 H new ATOM 0 HG12 ILE A 38 17.843 -4.985 -2.961 1.00 0.00 H new ATOM 0 HG13 ILE A 38 16.573 -6.173 -2.742 1.00 0.00 H new ATOM 0 HG21 ILE A 38 18.864 -5.303 -5.602 1.00 0.00 H new ATOM 0 HG22 ILE A 38 17.545 -4.618 -6.581 1.00 0.00 H new ATOM 0 HG23 ILE A 38 18.045 -3.814 -5.074 1.00 0.00 H new ATOM 0 HD11 ILE A 38 18.772 -7.148 -2.294 1.00 0.00 H new ATOM 0 HD12 ILE A 38 18.023 -7.921 -3.711 1.00 0.00 H new ATOM 0 HD13 ILE A 38 19.313 -6.715 -3.933 1.00 0.00 H new ATOM 512 N SER A 39 13.560 -5.102 -3.348 1.00 0.00 N ATOM 513 CA SER A 39 12.547 -5.811 -2.576 1.00 0.00 C ATOM 514 C SER A 39 11.276 -4.975 -2.449 1.00 0.00 C ATOM 515 O SER A 39 11.331 -3.784 -2.142 1.00 0.00 O ATOM 516 CB SER A 39 13.084 -6.157 -1.186 1.00 0.00 C ATOM 517 OG SER A 39 12.033 -6.241 -0.239 1.00 0.00 O ATOM 0 H SER A 39 13.436 -4.090 -3.378 1.00 0.00 H new ATOM 0 HA SER A 39 12.303 -6.733 -3.104 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.619 -7.106 -1.225 1.00 0.00 H new ATOM 0 HB3 SER A 39 13.802 -5.399 -0.871 1.00 0.00 H new ATOM 0 HG SER A 39 12.332 -6.760 0.537 1.00 0.00 H new ATOM 523 N TYR A 40 10.133 -5.608 -2.688 1.00 0.00 N ATOM 524 CA TYR A 40 8.849 -4.924 -2.604 1.00 0.00 C ATOM 525 C TYR A 40 7.738 -5.897 -2.220 1.00 0.00 C ATOM 526 O TYR A 40 7.451 -6.849 -2.946 1.00 0.00 O ATOM 527 CB TYR A 40 8.516 -4.254 -3.938 1.00 0.00 C ATOM 528 CG TYR A 40 9.465 -3.136 -4.307 1.00 0.00 C ATOM 529 CD1 TYR A 40 9.494 -1.954 -3.578 1.00 0.00 C ATOM 530 CD2 TYR A 40 10.331 -3.261 -5.386 1.00 0.00 C ATOM 531 CE1 TYR A 40 10.359 -0.930 -3.912 1.00 0.00 C ATOM 532 CE2 TYR A 40 11.200 -2.243 -5.727 1.00 0.00 C ATOM 533 CZ TYR A 40 11.210 -1.079 -4.987 1.00 0.00 C ATOM 534 OH TYR A 40 12.074 -0.062 -5.324 1.00 0.00 O ATOM 0 H TYR A 40 10.070 -6.594 -2.941 1.00 0.00 H new ATOM 0 HA TYR A 40 8.923 -4.160 -1.830 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.530 -5.006 -4.727 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.501 -3.858 -3.893 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.829 -1.833 -2.736 1.00 0.00 H new ATOM 0 HD2 TYR A 40 10.325 -4.170 -5.969 1.00 0.00 H new ATOM 0 HE1 TYR A 40 10.369 -0.018 -3.334 1.00 0.00 H new ATOM 0 HE2 TYR A 40 11.868 -2.358 -6.568 1.00 0.00 H new ATOM 0 HH TYR A 40 12.604 -0.328 -6.104 1.00 0.00 H new ATOM 544 N LEU A 41 7.115 -5.650 -1.072 1.00 0.00 N ATOM 545 CA LEU A 41 6.034 -6.502 -0.589 1.00 0.00 C ATOM 546 C LEU A 41 4.847 -5.665 -0.124 1.00 0.00 C ATOM 547 O LEU A 41 5.019 -4.561 0.394 1.00 0.00 O ATOM 548 CB LEU A 41 6.529 -7.387 0.556 1.00 0.00 C ATOM 549 CG LEU A 41 5.595 -8.520 0.980 1.00 0.00 C ATOM 550 CD1 LEU A 41 5.399 -9.506 -0.161 1.00 0.00 C ATOM 551 CD2 LEU A 41 6.140 -9.229 2.212 1.00 0.00 C ATOM 0 H LEU A 41 7.340 -4.867 -0.459 1.00 0.00 H new ATOM 0 HA LEU A 41 5.707 -7.135 -1.414 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.486 -7.821 0.266 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.716 -6.754 1.423 1.00 0.00 H new ATOM 0 HG LEU A 41 4.626 -8.090 1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.731 -10.306 0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.963 -8.990 -1.017 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.362 -9.930 -0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.462 -10.033 2.499 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.122 -9.646 1.987 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.227 -8.517 3.033 1.00 0.00 H new ATOM 563 N TRP A 42 3.645 -6.198 -0.310 1.00 0.00 N ATOM 564 CA TRP A 42 2.429 -5.500 0.093 1.00 0.00 C ATOM 565 C TRP A 42 1.440 -6.462 0.742 1.00 0.00 C ATOM 566 O TRP A 42 0.948 -7.387 0.098 1.00 0.00 O ATOM 567 CB TRP A 42 1.782 -4.821 -1.115 1.00 0.00 C ATOM 568 CG TRP A 42 2.519 -3.601 -1.576 1.00 0.00 C ATOM 569 CD1 TRP A 42 3.400 -3.519 -2.617 1.00 0.00 C ATOM 570 CD2 TRP A 42 2.441 -2.288 -1.010 1.00 0.00 C ATOM 571 NE1 TRP A 42 3.874 -2.235 -2.732 1.00 0.00 N ATOM 572 CE2 TRP A 42 3.301 -1.460 -1.759 1.00 0.00 C ATOM 573 CE3 TRP A 42 1.728 -1.730 0.054 1.00 0.00 C ATOM 574 CZ2 TRP A 42 3.465 -0.107 -1.474 1.00 0.00 C ATOM 575 CZ3 TRP A 42 1.892 -0.387 0.336 1.00 0.00 C ATOM 576 CH2 TRP A 42 2.754 0.412 -0.427 1.00 0.00 C ATOM 0 H TRP A 42 3.486 -7.111 -0.737 1.00 0.00 H new ATOM 0 HA TRP A 42 2.701 -4.740 0.825 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.726 -5.535 -1.937 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.758 -4.544 -0.862 1.00 0.00 H new ATOM 0 HD1 TRP A 42 3.682 -4.343 -3.256 1.00 0.00 H new ATOM 0 HE1 TRP A 42 4.544 -1.911 -3.429 1.00 0.00 H new ATOM 0 HE3 TRP A 42 1.060 -2.338 0.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.130 0.511 -2.059 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.347 0.054 1.158 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.859 1.459 -0.183 1.00 0.00 H new ATOM 587 N GLU A 43 1.153 -6.236 2.021 1.00 0.00 N ATOM 588 CA GLU A 43 0.222 -7.084 2.756 1.00 0.00 C ATOM 589 C GLU A 43 -0.658 -6.250 3.683 1.00 0.00 C ATOM 590 O GLU A 43 -0.222 -5.233 4.223 1.00 0.00 O ATOM 591 CB GLU A 43 0.985 -8.134 3.566 1.00 0.00 C ATOM 592 CG GLU A 43 1.817 -9.076 2.712 1.00 0.00 C ATOM 593 CD GLU A 43 2.429 -10.206 3.517 1.00 0.00 C ATOM 594 OE1 GLU A 43 3.340 -9.933 4.326 1.00 0.00 O ATOM 595 OE2 GLU A 43 1.997 -11.364 3.337 1.00 0.00 O ATOM 0 H GLU A 43 1.552 -5.473 2.569 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.419 -7.589 2.033 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.639 -7.628 4.276 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.273 -8.719 4.149 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.191 -9.494 1.924 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.611 -8.512 2.223 1.00 0.00 H new ATOM 602 N LYS A 44 -1.899 -6.688 3.862 1.00 0.00 N ATOM 603 CA LYS A 44 -2.842 -5.985 4.724 1.00 0.00 C ATOM 604 C LYS A 44 -2.782 -6.523 6.150 1.00 0.00 C ATOM 605 O LYS A 44 -3.192 -7.654 6.416 1.00 0.00 O ATOM 606 CB LYS A 44 -4.264 -6.120 4.175 1.00 0.00 C ATOM 607 CG LYS A 44 -5.331 -5.576 5.110 1.00 0.00 C ATOM 608 CD LYS A 44 -6.687 -5.508 4.429 1.00 0.00 C ATOM 609 CE LYS A 44 -7.307 -6.890 4.284 1.00 0.00 C ATOM 610 NZ LYS A 44 -8.199 -6.975 3.094 1.00 0.00 N ATOM 0 H LYS A 44 -2.276 -7.527 3.421 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.564 -4.931 4.741 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.327 -5.596 3.221 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.469 -7.172 3.976 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.398 -6.210 5.994 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.044 -4.581 5.451 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.354 -4.868 5.006 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.579 -5.051 3.445 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.517 -7.636 4.200 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.876 -7.129 5.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.961 -7.823 2.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.189 -7.032 3.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.070 -6.129 2.502 1.00 0.00 H new ATOM 624 N THR A 45 -2.270 -5.706 7.065 1.00 0.00 N ATOM 625 CA THR A 45 -2.157 -6.100 8.464 1.00 0.00 C ATOM 626 C THR A 45 -3.508 -6.026 9.166 1.00 0.00 C ATOM 627 O THR A 45 -3.879 -6.932 9.913 1.00 0.00 O ATOM 628 CB THR A 45 -1.150 -5.212 9.218 1.00 0.00 C ATOM 629 OG1 THR A 45 -1.151 -3.891 8.665 1.00 0.00 O ATOM 630 CG2 THR A 45 0.252 -5.798 9.140 1.00 0.00 C ATOM 0 H THR A 45 -1.927 -4.767 6.862 1.00 0.00 H new ATOM 0 HA THR A 45 -1.801 -7.130 8.475 1.00 0.00 H new ATOM 0 HB THR A 45 -1.451 -5.168 10.265 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.232 -3.624 8.454 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.946 -5.154 9.680 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.256 -6.792 9.588 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.559 -5.869 8.097 1.00 0.00 H new ATOM 638 N GLN A 46 -4.239 -4.943 8.922 1.00 0.00 N ATOM 639 CA GLN A 46 -5.549 -4.753 9.533 1.00 0.00 C ATOM 640 C GLN A 46 -6.595 -4.404 8.479 1.00 0.00 C ATOM 641 O GLN A 46 -6.282 -4.283 7.295 1.00 0.00 O ATOM 642 CB GLN A 46 -5.486 -3.649 10.591 1.00 0.00 C ATOM 643 CG GLN A 46 -5.159 -4.161 11.984 1.00 0.00 C ATOM 644 CD GLN A 46 -4.817 -3.043 12.950 1.00 0.00 C ATOM 645 OE1 GLN A 46 -5.510 -2.028 13.014 1.00 0.00 O ATOM 646 NE2 GLN A 46 -3.742 -3.225 13.709 1.00 0.00 N ATOM 0 H GLN A 46 -3.946 -4.184 8.306 1.00 0.00 H new ATOM 0 HA GLN A 46 -5.839 -5.689 10.011 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.734 -2.917 10.296 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -6.444 -3.129 10.619 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.010 -4.722 12.370 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.320 -4.854 11.925 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -3.196 -4.082 13.623 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.462 -2.507 14.378 1.00 0.00 H new ATOM 655 N GLY A 47 -7.840 -4.245 8.918 1.00 0.00 N ATOM 656 CA GLY A 47 -8.913 -3.912 8.000 1.00 0.00 C ATOM 657 C GLY A 47 -9.765 -5.115 7.644 1.00 0.00 C ATOM 658 O GLY A 47 -9.425 -6.257 7.955 1.00 0.00 O ATOM 0 H GLY A 47 -8.124 -4.341 9.893 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.544 -3.143 8.446 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.490 -3.488 7.089 1.00 0.00 H new ATOM 662 N PRO A 48 -10.902 -4.863 6.978 1.00 0.00 N ATOM 663 CA PRO A 48 -11.829 -5.922 6.567 1.00 0.00 C ATOM 664 C PRO A 48 -11.256 -6.795 5.455 1.00 0.00 C ATOM 665 O PRO A 48 -10.526 -6.313 4.589 1.00 0.00 O ATOM 666 CB PRO A 48 -13.050 -5.148 6.063 1.00 0.00 C ATOM 667 CG PRO A 48 -12.512 -3.824 5.643 1.00 0.00 C ATOM 668 CD PRO A 48 -11.370 -3.527 6.575 1.00 0.00 C ATOM 0 HA PRO A 48 -12.050 -6.610 7.383 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.529 -5.663 5.230 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -13.801 -5.040 6.846 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.174 -3.851 4.607 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -13.279 -3.053 5.708 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -10.584 -2.959 6.078 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.695 -2.939 7.434 1.00 0.00 H new ATOM 676 N ASP A 49 -11.591 -8.080 5.486 1.00 0.00 N ATOM 677 CA ASP A 49 -11.110 -9.020 4.480 1.00 0.00 C ATOM 678 C ASP A 49 -12.089 -9.115 3.314 1.00 0.00 C ATOM 679 O ASP A 49 -13.251 -9.476 3.494 1.00 0.00 O ATOM 680 CB ASP A 49 -10.902 -10.402 5.101 1.00 0.00 C ATOM 681 CG ASP A 49 -9.864 -10.390 6.206 1.00 0.00 C ATOM 682 OD1 ASP A 49 -8.831 -9.708 6.041 1.00 0.00 O ATOM 683 OD2 ASP A 49 -10.083 -11.064 7.234 1.00 0.00 O ATOM 0 H ASP A 49 -12.194 -8.495 6.197 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.156 -8.653 4.102 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -11.849 -10.764 5.500 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.594 -11.103 4.325 1.00 0.00 H new ATOM 688 N GLY A 50 -11.610 -8.787 2.118 1.00 0.00 N ATOM 689 CA GLY A 50 -12.456 -8.840 0.940 1.00 0.00 C ATOM 690 C GLY A 50 -11.782 -8.255 -0.285 1.00 0.00 C ATOM 691 O GLY A 50 -12.060 -8.666 -1.412 1.00 0.00 O ATOM 0 H GLY A 50 -10.651 -8.486 1.944 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.730 -9.876 0.740 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.381 -8.297 1.136 1.00 0.00 H new ATOM 695 N VAL A 51 -10.893 -7.291 -0.066 1.00 0.00 N ATOM 696 CA VAL A 51 -10.178 -6.648 -1.162 1.00 0.00 C ATOM 697 C VAL A 51 -9.267 -7.638 -1.879 1.00 0.00 C ATOM 698 O VAL A 51 -9.019 -8.737 -1.386 1.00 0.00 O ATOM 699 CB VAL A 51 -9.334 -5.461 -0.660 1.00 0.00 C ATOM 700 CG1 VAL A 51 -10.171 -4.544 0.218 1.00 0.00 C ATOM 701 CG2 VAL A 51 -8.108 -5.959 0.090 1.00 0.00 C ATOM 0 H VAL A 51 -10.651 -6.938 0.860 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.931 -6.280 -1.860 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.995 -4.888 -1.523 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.558 -3.711 0.563 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -11.014 -4.160 -0.356 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.542 -5.102 1.078 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.523 -5.107 0.438 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.423 -6.556 0.946 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.498 -6.571 -0.575 1.00 0.00 H new ATOM 711 N GLN A 52 -8.772 -7.239 -3.047 1.00 0.00 N ATOM 712 CA GLN A 52 -7.888 -8.092 -3.833 1.00 0.00 C ATOM 713 C GLN A 52 -6.594 -7.362 -4.180 1.00 0.00 C ATOM 714 O GLN A 52 -6.609 -6.353 -4.886 1.00 0.00 O ATOM 715 CB GLN A 52 -8.590 -8.547 -5.113 1.00 0.00 C ATOM 716 CG GLN A 52 -9.351 -9.854 -4.958 1.00 0.00 C ATOM 717 CD GLN A 52 -8.437 -11.063 -4.939 1.00 0.00 C ATOM 718 OE1 GLN A 52 -7.912 -11.475 -5.973 1.00 0.00 O ATOM 719 NE2 GLN A 52 -8.241 -11.638 -3.758 1.00 0.00 N ATOM 0 H GLN A 52 -8.968 -6.331 -3.469 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.640 -8.967 -3.232 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.283 -7.769 -5.434 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.848 -8.660 -5.904 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.929 -9.826 -4.034 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.063 -9.955 -5.777 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.697 -11.263 -2.926 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.635 -12.455 -3.683 1.00 0.00 H new ATOM 728 N LEU A 53 -5.477 -7.878 -3.679 1.00 0.00 N ATOM 729 CA LEU A 53 -4.174 -7.275 -3.935 1.00 0.00 C ATOM 730 C LEU A 53 -3.477 -7.963 -5.105 1.00 0.00 C ATOM 731 O LEU A 53 -3.278 -9.177 -5.093 1.00 0.00 O ATOM 732 CB LEU A 53 -3.297 -7.357 -2.685 1.00 0.00 C ATOM 733 CG LEU A 53 -3.368 -6.160 -1.736 1.00 0.00 C ATOM 734 CD1 LEU A 53 -3.140 -6.603 -0.299 1.00 0.00 C ATOM 735 CD2 LEU A 53 -2.351 -5.101 -2.137 1.00 0.00 C ATOM 0 H LEU A 53 -5.448 -8.713 -3.093 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.330 -6.228 -4.193 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.574 -8.253 -2.129 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.261 -7.485 -3.000 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.365 -5.724 -1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.194 -5.738 0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.906 -7.325 -0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.156 -7.065 -0.212 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.415 -4.256 -1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.348 -5.526 -2.096 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.560 -4.761 -3.151 1.00 0.00 H new ATOM 747 N GLU A 54 -3.107 -7.177 -6.111 1.00 0.00 N ATOM 748 CA GLU A 54 -2.430 -7.712 -7.287 1.00 0.00 C ATOM 749 C GLU A 54 -0.999 -7.189 -7.377 1.00 0.00 C ATOM 750 O GLU A 54 -0.743 -6.009 -7.143 1.00 0.00 O ATOM 751 CB GLU A 54 -3.200 -7.343 -8.557 1.00 0.00 C ATOM 752 CG GLU A 54 -4.276 -8.348 -8.931 1.00 0.00 C ATOM 753 CD GLU A 54 -5.617 -8.028 -8.299 1.00 0.00 C ATOM 754 OE1 GLU A 54 -6.314 -7.126 -8.809 1.00 0.00 O ATOM 755 OE2 GLU A 54 -5.970 -8.681 -7.294 1.00 0.00 O ATOM 0 H GLU A 54 -3.264 -6.169 -6.136 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.396 -8.797 -7.193 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.660 -6.364 -8.421 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.496 -7.252 -9.385 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.386 -8.371 -10.015 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.961 -9.344 -8.621 1.00 0.00 H new ATOM 762 N ASN A 55 -0.071 -8.078 -7.716 1.00 0.00 N ATOM 763 CA ASN A 55 1.334 -7.707 -7.835 1.00 0.00 C ATOM 764 C ASN A 55 1.872 -7.180 -6.508 1.00 0.00 C ATOM 765 O ASN A 55 2.713 -6.282 -6.480 1.00 0.00 O ATOM 766 CB ASN A 55 1.514 -6.650 -8.927 1.00 0.00 C ATOM 767 CG ASN A 55 1.718 -7.264 -10.298 1.00 0.00 C ATOM 768 OD1 ASN A 55 2.809 -7.731 -10.626 1.00 0.00 O ATOM 769 ND2 ASN A 55 0.665 -7.266 -11.108 1.00 0.00 N ATOM 0 H ASN A 55 -0.267 -9.060 -7.913 1.00 0.00 H new ATOM 0 HA ASN A 55 1.898 -8.600 -8.107 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.638 -6.002 -8.949 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.370 -6.021 -8.683 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.742 -7.666 -12.043 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.220 -6.868 -10.795 1.00 0.00 H new ATOM 776 N ALA A 56 1.382 -7.746 -5.411 1.00 0.00 N ATOM 777 CA ALA A 56 1.815 -7.336 -4.081 1.00 0.00 C ATOM 778 C ALA A 56 3.327 -7.465 -3.931 1.00 0.00 C ATOM 779 O ALA A 56 3.938 -6.793 -3.102 1.00 0.00 O ATOM 780 CB ALA A 56 1.106 -8.161 -3.017 1.00 0.00 C ATOM 0 H ALA A 56 0.685 -8.490 -5.417 1.00 0.00 H new ATOM 0 HA ALA A 56 1.551 -6.287 -3.948 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.439 -7.844 -2.029 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.029 -8.015 -3.101 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.341 -9.216 -3.158 1.00 0.00 H new ATOM 786 N ASN A 57 3.925 -8.334 -4.740 1.00 0.00 N ATOM 787 CA ASN A 57 5.366 -8.552 -4.697 1.00 0.00 C ATOM 788 C ASN A 57 6.091 -7.583 -5.625 1.00 0.00 C ATOM 789 O ASN A 57 7.151 -7.900 -6.165 1.00 0.00 O ATOM 790 CB ASN A 57 5.697 -9.994 -5.087 1.00 0.00 C ATOM 791 CG ASN A 57 7.071 -10.422 -4.609 1.00 0.00 C ATOM 792 OD1 ASN A 57 7.158 -11.629 -4.061 1.00 0.00 O flip ATOM 793 ND2 ASN A 57 8.043 -9.676 -4.731 1.00 0.00 N flip ATOM 0 H ASN A 57 3.434 -8.898 -5.433 1.00 0.00 H new ATOM 0 HA ASN A 57 5.705 -8.372 -3.677 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.945 -10.662 -4.668 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.645 -10.095 -6.171 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.930 -8.757 -5.158 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.961 -9.977 -4.405 1.00 0.00 H new ATOM 800 N SER A 58 5.513 -6.400 -5.806 1.00 0.00 N ATOM 801 CA SER A 58 6.101 -5.386 -6.672 1.00 0.00 C ATOM 802 C SER A 58 6.046 -4.011 -6.013 1.00 0.00 C ATOM 803 O SER A 58 5.297 -3.796 -5.060 1.00 0.00 O ATOM 804 CB SER A 58 5.374 -5.348 -8.017 1.00 0.00 C ATOM 805 OG SER A 58 5.625 -6.525 -8.766 1.00 0.00 O ATOM 0 H SER A 58 4.637 -6.120 -5.364 1.00 0.00 H new ATOM 0 HA SER A 58 7.145 -5.649 -6.839 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.302 -5.240 -7.852 1.00 0.00 H new ATOM 0 HB3 SER A 58 5.698 -4.476 -8.585 1.00 0.00 H new ATOM 0 HG SER A 58 5.148 -6.477 -9.621 1.00 0.00 H new ATOM 811 N SER A 59 6.846 -3.082 -6.527 1.00 0.00 N ATOM 812 CA SER A 59 6.893 -1.729 -5.987 1.00 0.00 C ATOM 813 C SER A 59 5.512 -1.080 -6.027 1.00 0.00 C ATOM 814 O SER A 59 5.146 -0.316 -5.134 1.00 0.00 O ATOM 815 CB SER A 59 7.891 -0.877 -6.774 1.00 0.00 C ATOM 816 OG SER A 59 7.485 -0.731 -8.124 1.00 0.00 O ATOM 0 H SER A 59 7.471 -3.242 -7.317 1.00 0.00 H new ATOM 0 HA SER A 59 7.218 -1.790 -4.948 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.981 0.105 -6.310 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.878 -1.339 -6.736 1.00 0.00 H new ATOM 0 HG SER A 59 8.139 -0.181 -8.605 1.00 0.00 H new ATOM 822 N VAL A 60 4.749 -1.391 -7.070 1.00 0.00 N ATOM 823 CA VAL A 60 3.408 -0.841 -7.228 1.00 0.00 C ATOM 824 C VAL A 60 2.352 -1.938 -7.158 1.00 0.00 C ATOM 825 O VAL A 60 2.286 -2.806 -8.028 1.00 0.00 O ATOM 826 CB VAL A 60 3.264 -0.088 -8.564 1.00 0.00 C ATOM 827 CG1 VAL A 60 1.881 0.536 -8.679 1.00 0.00 C ATOM 828 CG2 VAL A 60 4.348 0.970 -8.699 1.00 0.00 C ATOM 0 H VAL A 60 5.037 -2.021 -7.818 1.00 0.00 H new ATOM 0 HA VAL A 60 3.254 -0.141 -6.407 1.00 0.00 H new ATOM 0 HB VAL A 60 3.383 -0.803 -9.378 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.798 1.064 -9.629 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.124 -0.246 -8.631 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.729 1.238 -7.859 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.231 1.492 -9.649 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.264 1.684 -7.880 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.328 0.493 -8.665 1.00 0.00 H new ATOM 838 N ALA A 61 1.527 -1.892 -6.117 1.00 0.00 N ATOM 839 CA ALA A 61 0.472 -2.881 -5.935 1.00 0.00 C ATOM 840 C ALA A 61 -0.897 -2.287 -6.247 1.00 0.00 C ATOM 841 O ALA A 61 -1.081 -1.070 -6.208 1.00 0.00 O ATOM 842 CB ALA A 61 0.500 -3.428 -4.515 1.00 0.00 C ATOM 0 H ALA A 61 1.569 -1.181 -5.387 1.00 0.00 H new ATOM 0 HA ALA A 61 0.652 -3.700 -6.632 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.293 -4.166 -4.393 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.465 -3.898 -4.325 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.349 -2.612 -3.808 1.00 0.00 H new ATOM 848 N THR A 62 -1.856 -3.154 -6.559 1.00 0.00 N ATOM 849 CA THR A 62 -3.208 -2.714 -6.881 1.00 0.00 C ATOM 850 C THR A 62 -4.239 -3.437 -6.022 1.00 0.00 C ATOM 851 O THR A 62 -4.289 -4.666 -5.996 1.00 0.00 O ATOM 852 CB THR A 62 -3.537 -2.952 -8.367 1.00 0.00 C ATOM 853 OG1 THR A 62 -2.563 -2.306 -9.194 1.00 0.00 O ATOM 854 CG2 THR A 62 -4.924 -2.427 -8.705 1.00 0.00 C ATOM 0 H THR A 62 -1.721 -4.164 -6.595 1.00 0.00 H new ATOM 0 HA THR A 62 -3.251 -1.645 -6.674 1.00 0.00 H new ATOM 0 HB THR A 62 -3.517 -4.026 -8.553 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.778 -2.464 -10.137 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.134 -2.606 -9.759 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.666 -2.941 -8.095 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.967 -1.357 -8.503 1.00 0.00 H new ATOM 862 N VAL A 63 -5.063 -2.665 -5.320 1.00 0.00 N ATOM 863 CA VAL A 63 -6.096 -3.231 -4.461 1.00 0.00 C ATOM 864 C VAL A 63 -7.489 -2.929 -5.003 1.00 0.00 C ATOM 865 O VAL A 63 -7.791 -1.794 -5.373 1.00 0.00 O ATOM 866 CB VAL A 63 -5.989 -2.691 -3.023 1.00 0.00 C ATOM 867 CG1 VAL A 63 -7.036 -3.338 -2.130 1.00 0.00 C ATOM 868 CG2 VAL A 63 -4.590 -2.920 -2.471 1.00 0.00 C ATOM 0 H VAL A 63 -5.035 -1.645 -5.330 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.940 -4.310 -4.449 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.176 -1.617 -3.042 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.945 -2.944 -1.118 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.031 -3.117 -2.517 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.884 -4.417 -2.114 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.532 -2.532 -1.454 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.371 -3.988 -2.465 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.863 -2.404 -3.098 1.00 0.00 H new ATOM 878 N THR A 64 -8.336 -3.953 -5.048 1.00 0.00 N ATOM 879 CA THR A 64 -9.697 -3.798 -5.545 1.00 0.00 C ATOM 880 C THR A 64 -10.713 -4.327 -4.540 1.00 0.00 C ATOM 881 O THR A 64 -10.363 -5.060 -3.616 1.00 0.00 O ATOM 882 CB THR A 64 -9.891 -4.529 -6.887 1.00 0.00 C ATOM 883 OG1 THR A 64 -10.122 -5.923 -6.657 1.00 0.00 O ATOM 884 CG2 THR A 64 -8.673 -4.352 -7.781 1.00 0.00 C ATOM 0 H THR A 64 -8.103 -4.899 -4.746 1.00 0.00 H new ATOM 0 HA THR A 64 -9.860 -2.731 -5.694 1.00 0.00 H new ATOM 0 HB THR A 64 -10.756 -4.096 -7.389 1.00 0.00 H new ATOM 0 HG1 THR A 64 -10.246 -6.380 -7.515 1.00 0.00 H new ATOM 0 HG21 THR A 64 -8.833 -4.877 -8.723 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.518 -3.291 -7.979 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.794 -4.761 -7.283 1.00 0.00 H new ATOM 892 N GLY A 65 -11.975 -3.952 -4.727 1.00 0.00 N ATOM 893 CA GLY A 65 -13.023 -4.399 -3.828 1.00 0.00 C ATOM 894 C GLY A 65 -12.944 -3.733 -2.469 1.00 0.00 C ATOM 895 O GLY A 65 -13.135 -4.382 -1.439 1.00 0.00 O ATOM 0 H GLY A 65 -12.290 -3.347 -5.485 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.995 -4.190 -4.275 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.955 -5.480 -3.704 1.00 0.00 H new ATOM 899 N LEU A 66 -12.660 -2.436 -2.463 1.00 0.00 N ATOM 900 CA LEU A 66 -12.554 -1.681 -1.219 1.00 0.00 C ATOM 901 C LEU A 66 -13.927 -1.213 -0.747 1.00 0.00 C ATOM 902 O LEU A 66 -14.873 -1.147 -1.532 1.00 0.00 O ATOM 903 CB LEU A 66 -11.629 -0.478 -1.406 1.00 0.00 C ATOM 904 CG LEU A 66 -10.129 -0.776 -1.395 1.00 0.00 C ATOM 905 CD1 LEU A 66 -9.368 0.286 -2.174 1.00 0.00 C ATOM 906 CD2 LEU A 66 -9.613 -0.865 0.033 1.00 0.00 C ATOM 0 H LEU A 66 -12.499 -1.884 -3.306 1.00 0.00 H new ATOM 0 HA LEU A 66 -12.134 -2.339 -0.459 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.877 0.002 -2.353 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.841 0.244 -0.618 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.966 -1.739 -1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.302 0.057 -2.155 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.718 0.301 -3.206 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.538 1.262 -1.720 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.544 -1.078 0.021 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.789 0.082 0.543 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.136 -1.663 0.560 1.00 0.00 H new ATOM 918 N GLN A 67 -14.027 -0.887 0.537 1.00 0.00 N ATOM 919 CA GLN A 67 -15.284 -0.423 1.112 1.00 0.00 C ATOM 920 C GLN A 67 -15.033 0.474 2.320 1.00 0.00 C ATOM 921 O GLN A 67 -14.009 0.353 2.993 1.00 0.00 O ATOM 922 CB GLN A 67 -16.154 -1.614 1.519 1.00 0.00 C ATOM 923 CG GLN A 67 -16.347 -2.634 0.408 1.00 0.00 C ATOM 924 CD GLN A 67 -17.424 -3.651 0.730 1.00 0.00 C ATOM 925 OE1 GLN A 67 -18.535 -3.293 1.123 1.00 0.00 O ATOM 926 NE2 GLN A 67 -17.100 -4.928 0.566 1.00 0.00 N ATOM 0 H GLN A 67 -13.253 -0.936 1.199 1.00 0.00 H new ATOM 0 HA GLN A 67 -15.808 0.159 0.353 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -15.701 -2.107 2.379 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -17.130 -1.248 1.839 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -16.607 -2.115 -0.515 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -15.405 -3.152 0.228 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -16.167 -5.180 0.238 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -17.784 -5.658 0.768 1.00 0.00 H new ATOM 935 N VAL A 68 -15.973 1.375 2.588 1.00 0.00 N ATOM 936 CA VAL A 68 -15.853 2.292 3.715 1.00 0.00 C ATOM 937 C VAL A 68 -15.321 1.577 4.951 1.00 0.00 C ATOM 938 O VAL A 68 -15.946 0.647 5.461 1.00 0.00 O ATOM 939 CB VAL A 68 -17.207 2.943 4.054 1.00 0.00 C ATOM 940 CG1 VAL A 68 -18.350 1.981 3.765 1.00 0.00 C ATOM 941 CG2 VAL A 68 -17.232 3.392 5.508 1.00 0.00 C ATOM 0 H VAL A 68 -16.826 1.489 2.040 1.00 0.00 H new ATOM 0 HA VAL A 68 -15.149 3.069 3.418 1.00 0.00 H new ATOM 0 HB VAL A 68 -17.336 3.822 3.423 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -19.298 2.459 4.011 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -18.342 1.713 2.709 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -18.230 1.081 4.369 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -18.196 3.850 5.731 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -17.081 2.530 6.158 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -16.437 4.118 5.678 1.00 0.00 H new ATOM 951 N GLY A 69 -14.162 2.018 5.431 1.00 0.00 N ATOM 952 CA GLY A 69 -13.565 1.409 6.605 1.00 0.00 C ATOM 953 C GLY A 69 -12.121 1.825 6.803 1.00 0.00 C ATOM 954 O GLY A 69 -11.739 2.948 6.472 1.00 0.00 O ATOM 0 H GLY A 69 -13.626 2.786 5.028 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.143 1.684 7.487 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.618 0.324 6.515 1.00 0.00 H new ATOM 958 N THR A 70 -11.314 0.918 7.346 1.00 0.00 N ATOM 959 CA THR A 70 -9.905 1.198 7.591 1.00 0.00 C ATOM 960 C THR A 70 -9.028 0.032 7.148 1.00 0.00 C ATOM 961 O THR A 70 -9.194 -1.095 7.615 1.00 0.00 O ATOM 962 CB THR A 70 -9.640 1.487 9.080 1.00 0.00 C ATOM 963 OG1 THR A 70 -10.780 2.127 9.665 1.00 0.00 O ATOM 964 CG2 THR A 70 -8.414 2.371 9.250 1.00 0.00 C ATOM 0 H THR A 70 -11.613 -0.017 7.624 1.00 0.00 H new ATOM 0 HA THR A 70 -9.652 2.083 7.006 1.00 0.00 H new ATOM 0 HB THR A 70 -9.457 0.538 9.584 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.604 2.306 10.612 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.247 2.561 10.310 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.542 1.869 8.830 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.573 3.317 8.732 1.00 0.00 H new ATOM 972 N TYR A 71 -8.095 0.310 6.244 1.00 0.00 N ATOM 973 CA TYR A 71 -7.193 -0.717 5.737 1.00 0.00 C ATOM 974 C TYR A 71 -5.739 -0.360 6.033 1.00 0.00 C ATOM 975 O TYR A 71 -5.253 0.696 5.628 1.00 0.00 O ATOM 976 CB TYR A 71 -7.389 -0.899 4.231 1.00 0.00 C ATOM 977 CG TYR A 71 -8.783 -1.345 3.851 1.00 0.00 C ATOM 978 CD1 TYR A 71 -9.806 -0.420 3.681 1.00 0.00 C ATOM 979 CD2 TYR A 71 -9.077 -2.689 3.664 1.00 0.00 C ATOM 980 CE1 TYR A 71 -11.082 -0.823 3.334 1.00 0.00 C ATOM 981 CE2 TYR A 71 -10.349 -3.101 3.316 1.00 0.00 C ATOM 982 CZ TYR A 71 -11.348 -2.164 3.153 1.00 0.00 C ATOM 983 OH TYR A 71 -12.616 -2.570 2.808 1.00 0.00 O ATOM 0 H TYR A 71 -7.944 1.238 5.848 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.428 -1.653 6.243 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.168 0.042 3.728 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -6.670 -1.632 3.866 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -9.601 0.631 3.822 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -8.298 -3.425 3.793 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -11.866 -0.092 3.205 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -10.560 -4.150 3.172 1.00 0.00 H new ATOM 0 HH TYR A 71 -13.250 -1.843 2.980 1.00 0.00 H new ATOM 993 N VAL A 72 -5.050 -1.249 6.741 1.00 0.00 N ATOM 994 CA VAL A 72 -3.652 -1.030 7.090 1.00 0.00 C ATOM 995 C VAL A 72 -2.739 -1.981 6.325 1.00 0.00 C ATOM 996 O VAL A 72 -2.681 -3.175 6.620 1.00 0.00 O ATOM 997 CB VAL A 72 -3.415 -1.213 8.601 1.00 0.00 C ATOM 998 CG1 VAL A 72 -2.002 -0.794 8.975 1.00 0.00 C ATOM 999 CG2 VAL A 72 -4.443 -0.427 9.400 1.00 0.00 C ATOM 0 H VAL A 72 -5.438 -2.128 7.084 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.415 -0.003 6.814 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.530 -2.269 8.844 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.854 -0.930 10.046 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.284 -1.406 8.428 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.854 0.255 8.719 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.261 -0.568 10.465 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.362 0.632 9.155 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.444 -0.781 9.153 1.00 0.00 H new ATOM 1009 N PHE A 73 -2.026 -1.445 5.340 1.00 0.00 N ATOM 1010 CA PHE A 73 -1.115 -2.246 4.531 1.00 0.00 C ATOM 1011 C PHE A 73 0.336 -1.983 4.924 1.00 0.00 C ATOM 1012 O PHE A 73 0.828 -0.859 4.815 1.00 0.00 O ATOM 1013 CB PHE A 73 -1.316 -1.941 3.045 1.00 0.00 C ATOM 1014 CG PHE A 73 -2.724 -2.163 2.573 1.00 0.00 C ATOM 1015 CD1 PHE A 73 -3.163 -3.433 2.235 1.00 0.00 C ATOM 1016 CD2 PHE A 73 -3.609 -1.102 2.466 1.00 0.00 C ATOM 1017 CE1 PHE A 73 -4.458 -3.642 1.800 1.00 0.00 C ATOM 1018 CE2 PHE A 73 -4.906 -1.305 2.032 1.00 0.00 C ATOM 1019 CZ PHE A 73 -5.331 -2.576 1.697 1.00 0.00 C ATOM 0 H PHE A 73 -2.062 -0.459 5.083 1.00 0.00 H new ATOM 0 HA PHE A 73 -1.337 -3.298 4.712 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -1.036 -0.905 2.854 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.642 -2.566 2.459 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -2.485 -4.270 2.312 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.282 -0.106 2.724 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.787 -4.637 1.541 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -5.587 -0.470 1.955 1.00 0.00 H new ATOM 0 HZ PHE A 73 -6.343 -2.736 1.355 1.00 0.00 H new ATOM 1029 N THR A 74 1.017 -3.028 5.383 1.00 0.00 N ATOM 1030 CA THR A 74 2.410 -2.912 5.795 1.00 0.00 C ATOM 1031 C THR A 74 3.353 -3.297 4.660 1.00 0.00 C ATOM 1032 O THR A 74 3.459 -4.470 4.299 1.00 0.00 O ATOM 1033 CB THR A 74 2.710 -3.797 7.019 1.00 0.00 C ATOM 1034 OG1 THR A 74 1.893 -3.397 8.124 1.00 0.00 O ATOM 1035 CG2 THR A 74 4.178 -3.703 7.408 1.00 0.00 C ATOM 0 H THR A 74 0.626 -3.965 5.479 1.00 0.00 H new ATOM 0 HA THR A 74 2.574 -1.868 6.062 1.00 0.00 H new ATOM 0 HB THR A 74 2.485 -4.831 6.756 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.365 -3.581 8.963 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.366 -4.336 8.275 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.797 -4.035 6.575 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.424 -2.670 7.653 1.00 0.00 H new ATOM 1043 N LEU A 75 4.035 -2.304 4.101 1.00 0.00 N ATOM 1044 CA LEU A 75 4.971 -2.540 3.007 1.00 0.00 C ATOM 1045 C LEU A 75 6.346 -2.929 3.540 1.00 0.00 C ATOM 1046 O LEU A 75 7.062 -2.102 4.106 1.00 0.00 O ATOM 1047 CB LEU A 75 5.086 -1.291 2.131 1.00 0.00 C ATOM 1048 CG LEU A 75 6.318 -1.215 1.229 1.00 0.00 C ATOM 1049 CD1 LEU A 75 6.094 -2.007 -0.050 1.00 0.00 C ATOM 1050 CD2 LEU A 75 6.657 0.233 0.909 1.00 0.00 C ATOM 0 H LEU A 75 3.958 -1.328 4.387 1.00 0.00 H new ATOM 0 HA LEU A 75 4.589 -3.365 2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.197 -1.229 1.504 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.081 -0.415 2.780 1.00 0.00 H new ATOM 0 HG LEU A 75 7.161 -1.655 1.761 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.982 -1.941 -0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.901 -3.051 0.197 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.238 -1.597 -0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.537 0.267 0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.815 0.699 0.397 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.863 0.772 1.834 1.00 0.00 H new ATOM 1062 N THR A 76 6.711 -4.194 3.354 1.00 0.00 N ATOM 1063 CA THR A 76 8.000 -4.693 3.815 1.00 0.00 C ATOM 1064 C THR A 76 9.048 -4.611 2.711 1.00 0.00 C ATOM 1065 O THR A 76 8.855 -5.143 1.618 1.00 0.00 O ATOM 1066 CB THR A 76 7.896 -6.151 4.302 1.00 0.00 C ATOM 1067 OG1 THR A 76 6.676 -6.340 5.027 1.00 0.00 O ATOM 1068 CG2 THR A 76 9.079 -6.511 5.189 1.00 0.00 C ATOM 0 H THR A 76 6.131 -4.891 2.887 1.00 0.00 H new ATOM 0 HA THR A 76 8.305 -4.060 4.649 1.00 0.00 H new ATOM 0 HB THR A 76 7.904 -6.803 3.429 1.00 0.00 H new ATOM 0 HG1 THR A 76 6.617 -7.270 5.331 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.984 -7.545 5.521 1.00 0.00 H new ATOM 0 HG22 THR A 76 10.005 -6.395 4.626 1.00 0.00 H new ATOM 0 HG23 THR A 76 9.097 -5.852 6.057 1.00 0.00 H new ATOM 1076 N VAL A 77 10.159 -3.942 3.004 1.00 0.00 N ATOM 1077 CA VAL A 77 11.239 -3.792 2.037 1.00 0.00 C ATOM 1078 C VAL A 77 12.591 -4.100 2.670 1.00 0.00 C ATOM 1079 O VAL A 77 12.850 -3.733 3.817 1.00 0.00 O ATOM 1080 CB VAL A 77 11.271 -2.370 1.448 1.00 0.00 C ATOM 1081 CG1 VAL A 77 10.144 -2.181 0.444 1.00 0.00 C ATOM 1082 CG2 VAL A 77 11.187 -1.332 2.557 1.00 0.00 C ATOM 0 H VAL A 77 10.334 -3.495 3.904 1.00 0.00 H new ATOM 0 HA VAL A 77 11.047 -4.505 1.235 1.00 0.00 H new ATOM 0 HB VAL A 77 12.218 -2.234 0.925 1.00 0.00 H new ATOM 0 HG11 VAL A 77 10.183 -1.170 0.039 1.00 0.00 H new ATOM 0 HG12 VAL A 77 10.254 -2.901 -0.367 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.186 -2.336 0.939 1.00 0.00 H new ATOM 0 HG21 VAL A 77 11.211 -0.333 2.123 1.00 0.00 H new ATOM 0 HG22 VAL A 77 10.257 -1.465 3.110 1.00 0.00 H new ATOM 0 HG23 VAL A 77 12.033 -1.454 3.234 1.00 0.00 H new ATOM 1092 N LYS A 78 13.451 -4.775 1.916 1.00 0.00 N ATOM 1093 CA LYS A 78 14.779 -5.131 2.402 1.00 0.00 C ATOM 1094 C LYS A 78 15.863 -4.505 1.530 1.00 0.00 C ATOM 1095 O LYS A 78 15.950 -4.785 0.334 1.00 0.00 O ATOM 1096 CB LYS A 78 14.945 -6.652 2.427 1.00 0.00 C ATOM 1097 CG LYS A 78 14.520 -7.289 3.739 1.00 0.00 C ATOM 1098 CD LYS A 78 14.413 -8.799 3.617 1.00 0.00 C ATOM 1099 CE LYS A 78 13.022 -9.226 3.175 1.00 0.00 C ATOM 1100 NZ LYS A 78 12.826 -10.697 3.302 1.00 0.00 N ATOM 0 H LYS A 78 13.252 -5.087 0.965 1.00 0.00 H new ATOM 0 HA LYS A 78 14.884 -4.744 3.416 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.360 -7.086 1.616 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.989 -6.898 2.235 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.240 -7.036 4.517 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.559 -6.879 4.049 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.150 -9.160 2.900 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.649 -9.260 4.576 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.275 -8.707 3.776 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.862 -8.927 2.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.866 -10.947 2.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.522 -11.192 2.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.953 -10.980 4.295 1.00 0.00 H new ATOM 1114 N ASP A 79 16.688 -3.659 2.136 1.00 0.00 N ATOM 1115 CA ASP A 79 17.769 -2.996 1.415 1.00 0.00 C ATOM 1116 C ASP A 79 18.871 -3.987 1.056 1.00 0.00 C ATOM 1117 O ASP A 79 18.856 -5.134 1.501 1.00 0.00 O ATOM 1118 CB ASP A 79 18.346 -1.855 2.255 1.00 0.00 C ATOM 1119 CG ASP A 79 19.375 -1.041 1.496 1.00 0.00 C ATOM 1120 OD1 ASP A 79 19.005 -0.417 0.479 1.00 0.00 O ATOM 1121 OD2 ASP A 79 20.550 -1.028 1.918 1.00 0.00 O ATOM 0 H ASP A 79 16.629 -3.416 3.125 1.00 0.00 H new ATOM 0 HA ASP A 79 17.359 -2.586 0.492 1.00 0.00 H new ATOM 0 HB2 ASP A 79 17.537 -1.201 2.579 1.00 0.00 H new ATOM 0 HB3 ASP A 79 18.804 -2.266 3.155 1.00 0.00 H new ATOM 1126 N GLU A 80 19.826 -3.536 0.249 1.00 0.00 N ATOM 1127 CA GLU A 80 20.935 -4.385 -0.171 1.00 0.00 C ATOM 1128 C GLU A 80 21.635 -5.002 1.036 1.00 0.00 C ATOM 1129 O GLU A 80 22.265 -6.054 0.931 1.00 0.00 O ATOM 1130 CB GLU A 80 21.938 -3.579 -1.000 1.00 0.00 C ATOM 1131 CG GLU A 80 23.106 -4.405 -1.512 1.00 0.00 C ATOM 1132 CD GLU A 80 24.334 -3.562 -1.800 1.00 0.00 C ATOM 1133 OE1 GLU A 80 24.663 -2.691 -0.968 1.00 0.00 O ATOM 1134 OE2 GLU A 80 24.965 -3.774 -2.856 1.00 0.00 O ATOM 0 H GLU A 80 19.854 -2.588 -0.127 1.00 0.00 H new ATOM 0 HA GLU A 80 20.531 -5.190 -0.785 1.00 0.00 H new ATOM 0 HB2 GLU A 80 21.420 -3.133 -1.849 1.00 0.00 H new ATOM 0 HB3 GLU A 80 22.322 -2.759 -0.394 1.00 0.00 H new ATOM 0 HG2 GLU A 80 23.358 -5.168 -0.775 1.00 0.00 H new ATOM 0 HG3 GLU A 80 22.807 -4.927 -2.421 1.00 0.00 H new ATOM 1141 N ARG A 81 21.521 -4.338 2.182 1.00 0.00 N ATOM 1142 CA ARG A 81 22.144 -4.819 3.409 1.00 0.00 C ATOM 1143 C ARG A 81 21.174 -5.685 4.208 1.00 0.00 C ATOM 1144 O ARG A 81 21.216 -5.708 5.437 1.00 0.00 O ATOM 1145 CB ARG A 81 22.615 -3.641 4.263 1.00 0.00 C ATOM 1146 CG ARG A 81 24.031 -3.187 3.948 1.00 0.00 C ATOM 1147 CD ARG A 81 24.611 -2.347 5.075 1.00 0.00 C ATOM 1148 NE ARG A 81 25.620 -1.407 4.594 1.00 0.00 N ATOM 1149 CZ ARG A 81 26.055 -0.370 5.300 1.00 0.00 C ATOM 1150 NH1 ARG A 81 25.571 -0.140 6.513 1.00 0.00 N ATOM 1151 NH2 ARG A 81 26.975 0.441 4.794 1.00 0.00 N ATOM 0 H ARG A 81 21.003 -3.466 2.286 1.00 0.00 H new ATOM 0 HA ARG A 81 23.006 -5.427 3.135 1.00 0.00 H new ATOM 0 HB2 ARG A 81 21.933 -2.803 4.118 1.00 0.00 H new ATOM 0 HB3 ARG A 81 22.558 -3.920 5.315 1.00 0.00 H new ATOM 0 HG2 ARG A 81 24.664 -4.058 3.779 1.00 0.00 H new ATOM 0 HG3 ARG A 81 24.032 -2.608 3.024 1.00 0.00 H new ATOM 0 HD2 ARG A 81 23.809 -1.797 5.567 1.00 0.00 H new ATOM 0 HD3 ARG A 81 25.054 -3.003 5.824 1.00 0.00 H new ATOM 0 HE ARG A 81 26.012 -1.555 3.664 1.00 0.00 H new ATOM 0 HH11 ARG A 81 24.863 -0.760 6.906 1.00 0.00 H new ATOM 0 HH12 ARG A 81 25.907 0.657 7.053 1.00 0.00 H new ATOM 0 HH21 ARG A 81 27.349 0.268 3.861 1.00 0.00 H new ATOM 0 HH22 ARG A 81 27.308 1.237 5.338 1.00 0.00 H new ATOM 1165 N ASN A 82 20.302 -6.395 3.500 1.00 0.00 N ATOM 1166 CA ASN A 82 19.321 -7.261 4.143 1.00 0.00 C ATOM 1167 C ASN A 82 18.660 -6.554 5.323 1.00 0.00 C ATOM 1168 O ASN A 82 18.185 -7.196 6.260 1.00 0.00 O ATOM 1169 CB ASN A 82 19.985 -8.555 4.618 1.00 0.00 C ATOM 1170 CG ASN A 82 20.789 -9.228 3.522 1.00 0.00 C ATOM 1171 OD1 ASN A 82 21.114 -8.611 2.508 1.00 0.00 O ATOM 1172 ND2 ASN A 82 21.113 -10.500 3.722 1.00 0.00 N ATOM 0 H ASN A 82 20.255 -6.388 2.481 1.00 0.00 H new ATOM 0 HA ASN A 82 18.552 -7.502 3.409 1.00 0.00 H new ATOM 0 HB2 ASN A 82 20.639 -8.336 5.462 1.00 0.00 H new ATOM 0 HB3 ASN A 82 19.219 -9.242 4.978 1.00 0.00 H new ATOM 0 HD21 ASN A 82 21.653 -11.005 3.019 1.00 0.00 H new ATOM 0 HD22 ASN A 82 20.822 -10.972 4.578 1.00 0.00 H new ATOM 1179 N LEU A 83 18.633 -5.226 5.269 1.00 0.00 N ATOM 1180 CA LEU A 83 18.030 -4.430 6.333 1.00 0.00 C ATOM 1181 C LEU A 83 16.515 -4.605 6.352 1.00 0.00 C ATOM 1182 O LEU A 83 15.842 -4.373 5.348 1.00 0.00 O ATOM 1183 CB LEU A 83 18.382 -2.952 6.152 1.00 0.00 C ATOM 1184 CG LEU A 83 19.827 -2.563 6.466 1.00 0.00 C ATOM 1185 CD1 LEU A 83 20.175 -1.233 5.815 1.00 0.00 C ATOM 1186 CD2 LEU A 83 20.046 -2.495 7.970 1.00 0.00 C ATOM 0 H LEU A 83 19.021 -4.679 4.501 1.00 0.00 H new ATOM 0 HA LEU A 83 18.429 -4.779 7.285 1.00 0.00 H new ATOM 0 HB2 LEU A 83 18.167 -2.672 5.121 1.00 0.00 H new ATOM 0 HB3 LEU A 83 17.722 -2.361 6.787 1.00 0.00 H new ATOM 0 HG LEU A 83 20.486 -3.329 6.057 1.00 0.00 H new ATOM 0 HD11 LEU A 83 21.207 -0.972 6.049 1.00 0.00 H new ATOM 0 HD12 LEU A 83 20.058 -1.315 4.734 1.00 0.00 H new ATOM 0 HD13 LEU A 83 19.510 -0.457 6.194 1.00 0.00 H new ATOM 0 HD21 LEU A 83 21.080 -2.217 8.175 1.00 0.00 H new ATOM 0 HD22 LEU A 83 19.377 -1.750 8.402 1.00 0.00 H new ATOM 0 HD23 LEU A 83 19.838 -3.469 8.412 1.00 0.00 H new ATOM 1198 N GLN A 84 15.987 -5.014 7.501 1.00 0.00 N ATOM 1199 CA GLN A 84 14.551 -5.219 7.650 1.00 0.00 C ATOM 1200 C GLN A 84 13.856 -3.925 8.060 1.00 0.00 C ATOM 1201 O GLN A 84 14.200 -3.318 9.075 1.00 0.00 O ATOM 1202 CB GLN A 84 14.275 -6.310 8.686 1.00 0.00 C ATOM 1203 CG GLN A 84 12.948 -7.022 8.482 1.00 0.00 C ATOM 1204 CD GLN A 84 12.361 -7.548 9.777 1.00 0.00 C ATOM 1205 OE1 GLN A 84 13.083 -8.046 10.641 1.00 0.00 O ATOM 1206 NE2 GLN A 84 11.046 -7.440 9.919 1.00 0.00 N ATOM 0 H GLN A 84 16.531 -5.210 8.341 1.00 0.00 H new ATOM 0 HA GLN A 84 14.153 -5.534 6.686 1.00 0.00 H new ATOM 0 HB2 GLN A 84 15.080 -7.044 8.652 1.00 0.00 H new ATOM 0 HB3 GLN A 84 14.290 -5.866 9.681 1.00 0.00 H new ATOM 0 HG2 GLN A 84 12.239 -6.335 8.019 1.00 0.00 H new ATOM 0 HG3 GLN A 84 13.088 -7.851 7.788 1.00 0.00 H new ATOM 0 HE21 GLN A 84 10.486 -7.020 9.177 1.00 0.00 H new ATOM 0 HE22 GLN A 84 10.596 -7.777 10.770 1.00 0.00 H new ATOM 1215 N SER A 85 12.877 -3.506 7.264 1.00 0.00 N ATOM 1216 CA SER A 85 12.137 -2.281 7.542 1.00 0.00 C ATOM 1217 C SER A 85 10.830 -2.246 6.756 1.00 0.00 C ATOM 1218 O SER A 85 10.823 -2.420 5.537 1.00 0.00 O ATOM 1219 CB SER A 85 12.987 -1.057 7.197 1.00 0.00 C ATOM 1220 OG SER A 85 13.705 -1.259 5.992 1.00 0.00 O ATOM 0 H SER A 85 12.578 -3.997 6.421 1.00 0.00 H new ATOM 0 HA SER A 85 11.901 -2.261 8.606 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.346 -0.181 7.100 1.00 0.00 H new ATOM 0 HB3 SER A 85 13.684 -0.853 8.010 1.00 0.00 H new ATOM 0 HG SER A 85 14.239 -0.462 5.792 1.00 0.00 H new ATOM 1226 N GLN A 86 9.727 -2.019 7.462 1.00 0.00 N ATOM 1227 CA GLN A 86 8.415 -1.962 6.830 1.00 0.00 C ATOM 1228 C GLN A 86 7.627 -0.752 7.321 1.00 0.00 C ATOM 1229 O GLN A 86 7.776 -0.324 8.465 1.00 0.00 O ATOM 1230 CB GLN A 86 7.631 -3.244 7.115 1.00 0.00 C ATOM 1231 CG GLN A 86 7.267 -3.422 8.580 1.00 0.00 C ATOM 1232 CD GLN A 86 7.127 -4.879 8.975 1.00 0.00 C ATOM 1233 OE1 GLN A 86 6.101 -5.292 9.515 1.00 0.00 O ATOM 1234 NE2 GLN A 86 8.162 -5.667 8.707 1.00 0.00 N ATOM 0 H GLN A 86 9.716 -1.872 8.471 1.00 0.00 H new ATOM 0 HA GLN A 86 8.562 -1.866 5.754 1.00 0.00 H new ATOM 0 HB2 GLN A 86 6.718 -3.241 6.520 1.00 0.00 H new ATOM 0 HB3 GLN A 86 8.221 -4.101 6.789 1.00 0.00 H new ATOM 0 HG2 GLN A 86 8.032 -2.954 9.200 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.330 -2.903 8.783 1.00 0.00 H new ATOM 0 HE21 GLN A 86 8.993 -5.282 8.258 1.00 0.00 H new ATOM 0 HE22 GLN A 86 8.126 -6.657 8.950 1.00 0.00 H new ATOM 1243 N SER A 87 6.788 -0.204 6.447 1.00 0.00 N ATOM 1244 CA SER A 87 5.980 0.961 6.790 1.00 0.00 C ATOM 1245 C SER A 87 4.510 0.716 6.464 1.00 0.00 C ATOM 1246 O SER A 87 4.174 0.238 5.381 1.00 0.00 O ATOM 1247 CB SER A 87 6.482 2.196 6.040 1.00 0.00 C ATOM 1248 OG SER A 87 5.710 3.339 6.365 1.00 0.00 O ATOM 0 H SER A 87 6.650 -0.548 5.497 1.00 0.00 H new ATOM 0 HA SER A 87 6.073 1.134 7.862 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.528 2.377 6.289 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.437 2.016 4.966 1.00 0.00 H new ATOM 0 HG SER A 87 6.052 4.115 5.874 1.00 0.00 H new ATOM 1254 N SER A 88 3.637 1.049 7.410 1.00 0.00 N ATOM 1255 CA SER A 88 2.202 0.863 7.226 1.00 0.00 C ATOM 1256 C SER A 88 1.530 2.175 6.833 1.00 0.00 C ATOM 1257 O SER A 88 1.897 3.244 7.321 1.00 0.00 O ATOM 1258 CB SER A 88 1.569 0.316 8.507 1.00 0.00 C ATOM 1259 OG SER A 88 2.381 -0.690 9.088 1.00 0.00 O ATOM 0 H SER A 88 3.898 1.449 8.311 1.00 0.00 H new ATOM 0 HA SER A 88 2.054 0.144 6.420 1.00 0.00 H new ATOM 0 HB2 SER A 88 1.424 1.128 9.220 1.00 0.00 H new ATOM 0 HB3 SER A 88 0.583 -0.092 8.284 1.00 0.00 H new ATOM 0 HG SER A 88 2.146 -1.561 8.706 1.00 0.00 H new ATOM 1265 N VAL A 89 0.544 2.085 5.946 1.00 0.00 N ATOM 1266 CA VAL A 89 -0.181 3.264 5.487 1.00 0.00 C ATOM 1267 C VAL A 89 -1.657 3.181 5.862 1.00 0.00 C ATOM 1268 O VAL A 89 -2.284 2.132 5.725 1.00 0.00 O ATOM 1269 CB VAL A 89 -0.059 3.440 3.962 1.00 0.00 C ATOM 1270 CG1 VAL A 89 -0.563 2.200 3.239 1.00 0.00 C ATOM 1271 CG2 VAL A 89 -0.816 4.678 3.506 1.00 0.00 C ATOM 0 H VAL A 89 0.229 1.208 5.531 1.00 0.00 H new ATOM 0 HA VAL A 89 0.269 4.125 5.981 1.00 0.00 H new ATOM 0 HB VAL A 89 0.994 3.574 3.713 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.469 2.343 2.163 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.028 1.336 3.543 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.610 2.031 3.492 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.719 4.787 2.426 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.869 4.577 3.767 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.403 5.559 3.998 1.00 0.00 H new ATOM 1281 N ASN A 90 -2.205 4.296 6.334 1.00 0.00 N ATOM 1282 CA ASN A 90 -3.608 4.350 6.728 1.00 0.00 C ATOM 1283 C ASN A 90 -4.497 4.681 5.533 1.00 0.00 C ATOM 1284 O ASN A 90 -4.456 5.792 5.004 1.00 0.00 O ATOM 1285 CB ASN A 90 -3.810 5.391 7.831 1.00 0.00 C ATOM 1286 CG ASN A 90 -3.239 4.941 9.162 1.00 0.00 C ATOM 1287 OD1 ASN A 90 -3.402 3.788 9.562 1.00 0.00 O ATOM 1288 ND2 ASN A 90 -2.565 5.852 9.855 1.00 0.00 N ATOM 0 H ASN A 90 -1.699 5.174 6.453 1.00 0.00 H new ATOM 0 HA ASN A 90 -3.890 3.368 7.108 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.338 6.327 7.534 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -4.875 5.593 7.945 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -2.158 5.608 10.758 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -2.455 6.796 9.484 1.00 0.00 H new ATOM 1295 N VAL A 91 -5.300 3.709 5.113 1.00 0.00 N ATOM 1296 CA VAL A 91 -6.200 3.897 3.981 1.00 0.00 C ATOM 1297 C VAL A 91 -7.652 3.975 4.441 1.00 0.00 C ATOM 1298 O VAL A 91 -8.261 2.961 4.782 1.00 0.00 O ATOM 1299 CB VAL A 91 -6.059 2.756 2.956 1.00 0.00 C ATOM 1300 CG1 VAL A 91 -7.054 2.934 1.819 1.00 0.00 C ATOM 1301 CG2 VAL A 91 -4.635 2.692 2.425 1.00 0.00 C ATOM 0 H VAL A 91 -5.346 2.783 5.539 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.920 4.838 3.507 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.280 1.812 3.455 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.940 2.119 1.105 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.068 2.927 2.219 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -6.868 3.884 1.318 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.552 1.881 1.702 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.384 3.636 1.941 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.946 2.514 3.251 1.00 0.00 H new ATOM 1311 N ILE A 92 -8.200 5.185 4.448 1.00 0.00 N ATOM 1312 CA ILE A 92 -9.581 5.396 4.864 1.00 0.00 C ATOM 1313 C ILE A 92 -10.517 5.444 3.661 1.00 0.00 C ATOM 1314 O ILE A 92 -10.235 6.115 2.668 1.00 0.00 O ATOM 1315 CB ILE A 92 -9.734 6.698 5.672 1.00 0.00 C ATOM 1316 CG1 ILE A 92 -9.000 6.583 7.009 1.00 0.00 C ATOM 1317 CG2 ILE A 92 -11.205 7.014 5.895 1.00 0.00 C ATOM 1318 CD1 ILE A 92 -8.474 7.905 7.526 1.00 0.00 C ATOM 0 H ILE A 92 -7.709 6.035 4.170 1.00 0.00 H new ATOM 0 HA ILE A 92 -9.851 4.551 5.498 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.289 7.515 5.104 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.676 6.156 7.750 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -8.167 5.888 6.899 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -11.296 7.937 6.468 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -11.701 7.134 4.932 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -11.673 6.198 6.445 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -7.965 7.747 8.477 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.773 8.325 6.805 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -9.305 8.596 7.669 1.00 0.00 H new ATOM 1330 N VAL A 93 -11.633 4.729 3.757 1.00 0.00 N ATOM 1331 CA VAL A 93 -12.613 4.693 2.678 1.00 0.00 C ATOM 1332 C VAL A 93 -13.970 5.204 3.150 1.00 0.00 C ATOM 1333 O VAL A 93 -14.375 4.964 4.287 1.00 0.00 O ATOM 1334 CB VAL A 93 -12.780 3.267 2.120 1.00 0.00 C ATOM 1335 CG1 VAL A 93 -13.655 3.280 0.876 1.00 0.00 C ATOM 1336 CG2 VAL A 93 -11.423 2.650 1.821 1.00 0.00 C ATOM 0 H VAL A 93 -11.881 4.167 4.571 1.00 0.00 H new ATOM 0 HA VAL A 93 -12.238 5.344 1.888 1.00 0.00 H new ATOM 0 HB VAL A 93 -13.273 2.655 2.875 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -13.762 2.264 0.496 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.638 3.679 1.127 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -13.193 3.906 0.113 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.560 1.643 1.428 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -10.901 3.260 1.084 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -10.834 2.605 2.737 1.00 0.00 H new ATOM 1346 N LYS A 94 -14.668 5.912 2.268 1.00 0.00 N ATOM 1347 CA LYS A 94 -15.981 6.457 2.592 1.00 0.00 C ATOM 1348 C LYS A 94 -17.016 6.037 1.554 1.00 0.00 C ATOM 1349 O LYS A 94 -16.670 5.501 0.502 1.00 0.00 O ATOM 1350 CB LYS A 94 -15.916 7.984 2.674 1.00 0.00 C ATOM 1351 CG LYS A 94 -15.577 8.505 4.060 1.00 0.00 C ATOM 1352 CD LYS A 94 -14.096 8.355 4.365 1.00 0.00 C ATOM 1353 CE LYS A 94 -13.281 9.476 3.739 1.00 0.00 C ATOM 1354 NZ LYS A 94 -13.439 10.758 4.481 1.00 0.00 N ATOM 0 H LYS A 94 -14.346 6.122 1.323 1.00 0.00 H new ATOM 0 HA LYS A 94 -16.282 6.059 3.561 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -15.170 8.346 1.966 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -16.876 8.397 2.364 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -15.860 9.555 4.134 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -16.160 7.964 4.806 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -13.944 8.353 5.444 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -13.742 7.394 3.991 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -12.228 9.194 3.722 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -13.591 9.615 2.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -12.734 11.444 4.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -14.394 11.136 4.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -13.299 10.590 5.498 1.00 0.00 H new ATOM 1368 N GLU A 95 -18.286 6.284 1.857 1.00 0.00 N ATOM 1369 CA GLU A 95 -19.371 5.932 0.948 1.00 0.00 C ATOM 1370 C GLU A 95 -19.764 7.124 0.081 1.00 0.00 C ATOM 1371 O GLU A 95 -19.508 8.274 0.437 1.00 0.00 O ATOM 1372 CB GLU A 95 -20.586 5.438 1.736 1.00 0.00 C ATOM 1373 CG GLU A 95 -20.341 4.136 2.481 1.00 0.00 C ATOM 1374 CD GLU A 95 -21.611 3.553 3.071 1.00 0.00 C ATOM 1375 OE1 GLU A 95 -22.218 4.214 3.940 1.00 0.00 O ATOM 1376 OE2 GLU A 95 -21.997 2.438 2.664 1.00 0.00 O ATOM 0 H GLU A 95 -18.589 6.726 2.725 1.00 0.00 H new ATOM 0 HA GLU A 95 -19.019 5.132 0.297 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -20.881 6.206 2.451 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -21.422 5.302 1.050 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -19.895 3.411 1.800 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -19.620 4.309 3.280 1.00 0.00 H new