USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1009 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 35 GLN : amide:sc= -0.495 K(o=-0.41,f=-3.6) USER MOD Set 1.2: A 117 GLN : amide:sc= 0.0884 K(o=-0.41,f=-1.6) USER MOD Set 2.1: A 86 ASN : amide:sc= -4.67! C(o=-4.7!,f=-16!) USER MOD Set 2.2: A 95 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 49 HIS : no HE2:sc= -0.46! C(o=-0.58!,f=-14!) USER MOD Set 3.2: A 94 LYS NZ :NH3+ -146:sc= -0.116! (180deg=-0.654) USER MOD Set 4.1: A 42 HIS : no HD1:sc= -0.5 K(o=-0.5,f=-1.1) USER MOD Set 4.2: A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 33:sc= -2.55 USER MOD Single : A 47 LYS NZ :NH3+ -123:sc=-0.00588 (180deg=-0.414) USER MOD Single : A 59 THR OG1 : rot 86:sc= -2.53! USER MOD Single : A 64 THR OG1 : rot 77:sc= -5.79! USER MOD Single : A 65 GLN : amide:sc= -0.0429 X(o=-0.043,f=-0.29) USER MOD Single : A 74 GLN : amide:sc= -0.785 K(o=-0.78,f=-2.3!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= -0.782 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc=-0.00409 USER MOD Single : A 114 HIS : no HD1:sc= -0.0878 X(o=-0.088,f=-0.088) USER MOD Single : A 116 HIS : no HD1:sc= -0.383 K(o=-0.38,f=-2.4!) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 CYS SG : rot 180:sc= -3.16 USER MOD Single : A 129 GLN : amide:sc= -8! C(o=-8!,f=-11!) USER MOD Single : A 132 GLN :FLIP amide:sc= -3.85! C(o=-5.4!,f=-3.9!) USER MOD Single : A 134 LYS NZ :NH3+ 154:sc= -0.101 (180deg=-0.661) USER MOD Single : A 136 MET CE :methyl -151:sc= -0.862 (180deg=-2.73) USER MOD Single : A 137 LYS NZ :NH3+ 171:sc= -5.65! (180deg=-6.11!) USER MOD Single : A 141 GLN :FLIP amide:sc= -0.565 F(o=-3.8!,f=-0.57) USER MOD Single : A 144 HIS : no HD1:sc=-0.00204 X(o=-0.002,f=-0.21) USER MOD Single : A 145 GLN : amide:sc= -0.0757 K(o=-0.076,f=-0.58) USER MOD Single : A 148 CYS SG : rot 28:sc= 0.842 USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 86 N LEU A 8 7.602 -8.177 4.935 1.00 0.00 N ATOM 87 CA LEU A 8 6.306 -8.515 4.266 1.00 0.00 C ATOM 88 C LEU A 8 5.676 -7.250 3.678 1.00 0.00 C ATOM 89 O LEU A 8 5.647 -6.211 4.308 1.00 0.00 O ATOM 90 CB LEU A 8 5.326 -9.112 5.286 1.00 0.00 C ATOM 91 CG LEU A 8 6.090 -9.792 6.426 1.00 0.00 C ATOM 92 CD1 LEU A 8 6.794 -8.735 7.269 1.00 0.00 C ATOM 93 CD2 LEU A 8 5.107 -10.559 7.314 1.00 0.00 C ATOM 0 HA LEU A 8 6.507 -9.237 3.475 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.685 -8.327 5.687 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.675 -9.835 4.794 1.00 0.00 H new ATOM 0 HG LEU A 8 6.824 -10.480 6.006 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.338 -9.219 8.080 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.493 -8.178 6.645 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.055 -8.050 7.685 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.651 -11.043 8.125 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.376 -9.866 7.730 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.594 -11.315 6.720 1.00 0.00 H new ATOM 105 N ARG A 9 5.145 -7.335 2.490 1.00 0.00 N ATOM 106 CA ARG A 9 4.486 -6.144 1.879 1.00 0.00 C ATOM 107 C ARG A 9 3.033 -6.118 2.358 1.00 0.00 C ATOM 108 O ARG A 9 2.368 -7.133 2.374 1.00 0.00 O ATOM 109 CB ARG A 9 4.525 -6.263 0.350 1.00 0.00 C ATOM 110 CG ARG A 9 4.393 -4.873 -0.279 1.00 0.00 C ATOM 111 CD ARG A 9 4.438 -4.994 -1.808 1.00 0.00 C ATOM 112 NE ARG A 9 4.627 -3.643 -2.409 1.00 0.00 N ATOM 113 CZ ARG A 9 3.659 -2.768 -2.373 1.00 0.00 C ATOM 114 NH1 ARG A 9 2.520 -3.078 -1.820 1.00 0.00 N ATOM 115 NH2 ARG A 9 3.833 -1.582 -2.895 1.00 0.00 N ATOM 0 H ARG A 9 5.138 -8.177 1.915 1.00 0.00 H new ATOM 0 HA ARG A 9 5.000 -5.228 2.171 1.00 0.00 H new ATOM 0 HB2 ARG A 9 5.459 -6.728 0.035 1.00 0.00 H new ATOM 0 HB3 ARG A 9 3.716 -6.907 0.005 1.00 0.00 H new ATOM 0 HG2 ARG A 9 3.457 -4.409 0.032 1.00 0.00 H new ATOM 0 HG3 ARG A 9 5.199 -4.227 0.069 1.00 0.00 H new ATOM 0 HD2 ARG A 9 5.252 -5.654 -2.107 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.514 -5.441 -2.175 1.00 0.00 H new ATOM 0 HE ARG A 9 5.515 -3.402 -2.849 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.385 -4.004 -1.415 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.764 -2.394 -1.792 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.724 -1.342 -3.329 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.078 -0.897 -2.868 1.00 0.00 H new ATOM 129 N ALA A 10 2.535 -4.985 2.766 1.00 0.00 N ATOM 130 CA ALA A 10 1.128 -4.940 3.256 1.00 0.00 C ATOM 131 C ALA A 10 0.455 -3.651 2.801 1.00 0.00 C ATOM 132 O ALA A 10 1.106 -2.683 2.457 1.00 0.00 O ATOM 133 CB ALA A 10 1.119 -4.992 4.784 1.00 0.00 C ATOM 0 H ALA A 10 3.035 -4.096 2.782 1.00 0.00 H new ATOM 0 HA ALA A 10 0.586 -5.794 2.850 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.090 -4.959 5.143 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.591 -5.915 5.119 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.669 -4.139 5.180 1.00 0.00 H new ATOM 139 N CYS A 11 -0.851 -3.627 2.808 1.00 0.00 N ATOM 140 CA CYS A 11 -1.572 -2.399 2.388 1.00 0.00 C ATOM 141 C CYS A 11 -2.901 -2.306 3.141 1.00 0.00 C ATOM 142 O CYS A 11 -3.728 -3.193 3.077 1.00 0.00 O ATOM 143 CB CYS A 11 -1.838 -2.458 0.885 1.00 0.00 C ATOM 144 SG CYS A 11 -0.530 -1.565 0.016 1.00 0.00 S ATOM 0 H CYS A 11 -1.446 -4.407 3.087 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.965 -1.522 2.616 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -1.872 -3.495 0.550 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.809 -2.018 0.658 1.00 0.00 H new ATOM 0 HG CYS A 11 0.587 -1.686 0.671 1.00 0.00 H new ATOM 150 N GLY A 12 -3.113 -1.224 3.836 1.00 0.00 N ATOM 151 CA GLY A 12 -4.390 -1.043 4.585 1.00 0.00 C ATOM 152 C GLY A 12 -5.043 0.253 4.105 1.00 0.00 C ATOM 153 O GLY A 12 -4.496 0.945 3.269 1.00 0.00 O ATOM 0 H GLY A 12 -2.452 -0.451 3.919 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -5.055 -1.890 4.414 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.199 -0.999 5.657 1.00 0.00 H new ATOM 157 N LEU A 13 -6.200 0.594 4.601 1.00 0.00 N ATOM 158 CA LEU A 13 -6.840 1.850 4.118 1.00 0.00 C ATOM 159 C LEU A 13 -7.158 2.794 5.276 1.00 0.00 C ATOM 160 O LEU A 13 -7.974 2.497 6.127 1.00 0.00 O ATOM 161 CB LEU A 13 -8.154 1.511 3.400 1.00 0.00 C ATOM 162 CG LEU A 13 -8.043 1.826 1.905 1.00 0.00 C ATOM 163 CD1 LEU A 13 -9.418 1.704 1.246 1.00 0.00 C ATOM 164 CD2 LEU A 13 -7.527 3.252 1.710 1.00 0.00 C ATOM 0 H LEU A 13 -6.721 0.071 5.305 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.141 2.341 3.441 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.390 0.456 3.539 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.973 2.081 3.838 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.350 1.119 1.449 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.333 1.929 0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.794 0.689 1.373 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.108 2.407 1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.451 3.469 0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.218 3.956 2.175 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.544 3.350 2.171 1.00 0.00 H new ATOM 176 N ILE A 14 -6.573 3.964 5.279 1.00 0.00 N ATOM 177 CA ILE A 14 -6.918 4.942 6.339 1.00 0.00 C ATOM 178 C ILE A 14 -8.168 5.662 5.858 1.00 0.00 C ATOM 179 O ILE A 14 -8.127 6.527 5.004 1.00 0.00 O ATOM 180 CB ILE A 14 -5.772 5.922 6.565 1.00 0.00 C ATOM 181 CG1 ILE A 14 -4.650 5.203 7.319 1.00 0.00 C ATOM 182 CG2 ILE A 14 -6.271 7.106 7.395 1.00 0.00 C ATOM 183 CD1 ILE A 14 -3.432 6.119 7.435 1.00 0.00 C ATOM 0 H ILE A 14 -5.880 4.277 4.599 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.094 4.448 7.294 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.400 6.287 5.608 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.994 4.914 8.312 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.378 4.286 6.796 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.452 7.807 7.557 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -7.079 7.608 6.863 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.637 6.747 8.357 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.637 5.601 7.972 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.081 6.386 6.438 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.707 7.024 7.977 1.00 0.00 H new ATOM 195 N ILE A 15 -9.283 5.247 6.360 1.00 0.00 N ATOM 196 CA ILE A 15 -10.582 5.811 5.917 1.00 0.00 C ATOM 197 C ILE A 15 -10.980 7.009 6.771 1.00 0.00 C ATOM 198 O ILE A 15 -10.824 7.005 7.974 1.00 0.00 O ATOM 199 CB ILE A 15 -11.608 4.693 6.075 1.00 0.00 C ATOM 200 CG1 ILE A 15 -11.229 3.542 5.143 1.00 0.00 C ATOM 201 CG2 ILE A 15 -13.015 5.184 5.745 1.00 0.00 C ATOM 202 CD1 ILE A 15 -11.957 2.269 5.574 1.00 0.00 C ATOM 0 H ILE A 15 -9.355 4.524 7.076 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.520 6.161 4.887 1.00 0.00 H new ATOM 0 HB ILE A 15 -11.606 4.357 7.112 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -11.491 3.792 4.115 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -10.151 3.382 5.167 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -13.724 4.365 5.867 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -13.283 5.999 6.417 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -13.044 5.539 4.715 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.685 1.451 4.908 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -11.673 2.015 6.595 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -13.034 2.432 5.527 1.00 0.00 H new ATOM 214 N PHE A 16 -11.508 8.027 6.153 1.00 0.00 N ATOM 215 CA PHE A 16 -11.934 9.219 6.921 1.00 0.00 C ATOM 216 C PHE A 16 -13.316 9.662 6.448 1.00 0.00 C ATOM 217 O PHE A 16 -13.516 9.979 5.295 1.00 0.00 O ATOM 218 CB PHE A 16 -10.928 10.351 6.712 1.00 0.00 C ATOM 219 CG PHE A 16 -10.964 10.814 5.274 1.00 0.00 C ATOM 220 CD1 PHE A 16 -11.847 11.828 4.888 1.00 0.00 C ATOM 221 CD2 PHE A 16 -10.106 10.234 4.332 1.00 0.00 C ATOM 222 CE1 PHE A 16 -11.875 12.263 3.558 1.00 0.00 C ATOM 223 CE2 PHE A 16 -10.132 10.666 3.002 1.00 0.00 C ATOM 224 CZ PHE A 16 -11.016 11.682 2.614 1.00 0.00 C ATOM 0 H PHE A 16 -11.662 8.081 5.146 1.00 0.00 H new ATOM 0 HA PHE A 16 -11.978 8.971 7.982 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -11.161 11.183 7.377 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -9.925 10.009 6.968 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -12.507 12.275 5.616 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -9.424 9.453 4.632 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -12.557 13.045 3.259 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -9.472 10.217 2.275 1.00 0.00 H new ATOM 0 HZ PHE A 16 -11.036 12.018 1.588 1.00 0.00 H new ATOM 234 N ARG A 17 -14.271 9.700 7.336 1.00 0.00 N ATOM 235 CA ARG A 17 -15.637 10.136 6.942 1.00 0.00 C ATOM 236 C ARG A 17 -15.720 11.657 7.072 1.00 0.00 C ATOM 237 O ARG A 17 -15.631 12.199 8.155 1.00 0.00 O ATOM 238 CB ARG A 17 -16.668 9.484 7.868 1.00 0.00 C ATOM 239 CG ARG A 17 -18.076 9.911 7.450 1.00 0.00 C ATOM 240 CD ARG A 17 -19.097 9.324 8.425 1.00 0.00 C ATOM 241 NE ARG A 17 -18.916 9.943 9.766 1.00 0.00 N ATOM 242 CZ ARG A 17 -19.403 11.132 10.003 1.00 0.00 C ATOM 243 NH1 ARG A 17 -20.051 11.768 9.066 1.00 0.00 N ATOM 244 NH2 ARG A 17 -19.241 11.686 11.174 1.00 0.00 N ATOM 0 H ARG A 17 -14.163 9.447 8.318 1.00 0.00 H new ATOM 0 HA ARG A 17 -15.843 9.839 5.914 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -16.578 8.399 7.822 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -16.480 9.776 8.901 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -18.150 10.998 7.440 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -18.286 9.568 6.437 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -20.109 9.506 8.062 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -18.972 8.243 8.492 1.00 0.00 H new ATOM 0 HE ARG A 17 -18.413 9.441 10.498 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -20.177 11.337 8.150 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -20.432 12.696 9.249 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -18.733 11.190 11.907 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -19.622 12.614 11.356 1.00 0.00 H new ATOM 258 N ARG A 18 -15.888 12.350 5.981 1.00 0.00 N ATOM 259 CA ARG A 18 -15.972 13.834 6.053 1.00 0.00 C ATOM 260 C ARG A 18 -17.427 14.256 6.247 1.00 0.00 C ATOM 261 O ARG A 18 -18.329 13.696 5.657 1.00 0.00 O ATOM 262 CB ARG A 18 -15.425 14.446 4.763 1.00 0.00 C ATOM 263 CG ARG A 18 -15.350 15.965 4.914 1.00 0.00 C ATOM 264 CD ARG A 18 -14.707 16.576 3.668 1.00 0.00 C ATOM 265 NE ARG A 18 -15.620 16.409 2.504 1.00 0.00 N ATOM 266 CZ ARG A 18 -16.536 17.305 2.253 1.00 0.00 C ATOM 267 NH1 ARG A 18 -16.669 18.339 3.039 1.00 0.00 N ATOM 268 NH2 ARG A 18 -17.323 17.166 1.219 1.00 0.00 N ATOM 0 H ARG A 18 -15.971 11.954 5.045 1.00 0.00 H new ATOM 0 HA ARG A 18 -15.379 14.187 6.896 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.436 14.042 4.546 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -16.068 14.184 3.922 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -16.349 16.376 5.058 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.769 16.224 5.799 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -14.502 17.634 3.834 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.751 16.093 3.466 1.00 0.00 H new ATOM 0 HE ARG A 18 -15.530 15.592 1.900 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -16.058 18.446 3.848 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -17.384 19.039 2.844 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -17.222 16.357 0.607 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -18.038 17.867 1.024 1.00 0.00 H new ATOM 434 N ILE A 29 -13.826 15.607 10.716 1.00 0.00 N ATOM 435 CA ILE A 29 -13.450 14.363 9.996 1.00 0.00 C ATOM 436 C ILE A 29 -13.217 13.226 10.990 1.00 0.00 C ATOM 437 O ILE A 29 -12.545 13.382 11.991 1.00 0.00 O ATOM 438 CB ILE A 29 -12.182 14.620 9.187 1.00 0.00 C ATOM 439 CG1 ILE A 29 -12.530 15.506 7.988 1.00 0.00 C ATOM 440 CG2 ILE A 29 -11.604 13.293 8.700 1.00 0.00 C ATOM 441 CD1 ILE A 29 -11.318 16.361 7.606 1.00 0.00 C ATOM 0 HA ILE A 29 -14.259 14.073 9.326 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.441 15.120 9.811 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -12.831 14.888 7.143 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.377 16.147 8.232 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.699 13.480 8.123 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.364 12.664 9.557 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.336 12.786 8.072 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.571 16.990 6.752 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -11.037 16.991 8.450 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.483 15.712 7.344 1.00 0.00 H new ATOM 453 N GLU A 30 -13.764 12.081 10.707 1.00 0.00 N ATOM 454 CA GLU A 30 -13.586 10.911 11.610 1.00 0.00 C ATOM 455 C GLU A 30 -12.954 9.775 10.810 1.00 0.00 C ATOM 456 O GLU A 30 -13.044 9.741 9.601 1.00 0.00 O ATOM 457 CB GLU A 30 -14.947 10.470 12.147 1.00 0.00 C ATOM 458 CG GLU A 30 -15.591 11.625 12.916 1.00 0.00 C ATOM 459 CD GLU A 30 -16.915 11.153 13.523 1.00 0.00 C ATOM 460 OE1 GLU A 30 -17.494 11.904 14.293 1.00 0.00 O ATOM 461 OE2 GLU A 30 -17.324 10.050 13.208 1.00 0.00 O ATOM 0 H GLU A 30 -14.333 11.902 9.880 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.944 11.177 12.450 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.592 10.163 11.324 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.829 9.605 12.800 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.921 11.972 13.702 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.764 12.469 12.249 1.00 0.00 H new ATOM 469 N PHE A 31 -12.300 8.853 11.464 1.00 0.00 N ATOM 470 CA PHE A 31 -11.653 7.739 10.716 1.00 0.00 C ATOM 471 C PHE A 31 -12.273 6.399 11.117 1.00 0.00 C ATOM 472 O PHE A 31 -12.736 6.224 12.225 1.00 0.00 O ATOM 473 CB PHE A 31 -10.155 7.721 11.035 1.00 0.00 C ATOM 474 CG PHE A 31 -9.529 9.040 10.638 1.00 0.00 C ATOM 475 CD1 PHE A 31 -9.077 9.237 9.326 1.00 0.00 C ATOM 476 CD2 PHE A 31 -9.396 10.063 11.586 1.00 0.00 C ATOM 477 CE1 PHE A 31 -8.493 10.460 8.965 1.00 0.00 C ATOM 478 CE2 PHE A 31 -8.813 11.282 11.223 1.00 0.00 C ATOM 479 CZ PHE A 31 -8.363 11.481 9.913 1.00 0.00 C ATOM 0 H PHE A 31 -12.187 8.823 12.477 1.00 0.00 H new ATOM 0 HA PHE A 31 -11.805 7.893 9.648 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -10.003 7.542 12.099 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -9.670 6.903 10.502 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.178 8.449 8.595 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.744 9.911 12.597 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.143 10.614 7.955 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -8.710 12.070 11.954 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.915 12.423 9.633 1.00 0.00 H new ATOM 489 N LEU A 32 -12.270 5.444 10.223 1.00 0.00 N ATOM 490 CA LEU A 32 -12.846 4.114 10.558 1.00 0.00 C ATOM 491 C LEU A 32 -11.825 3.318 11.361 1.00 0.00 C ATOM 492 O LEU A 32 -10.685 3.178 10.968 1.00 0.00 O ATOM 493 CB LEU A 32 -13.177 3.344 9.275 1.00 0.00 C ATOM 494 CG LEU A 32 -13.551 1.902 9.632 1.00 0.00 C ATOM 495 CD1 LEU A 32 -14.725 1.898 10.608 1.00 0.00 C ATOM 496 CD2 LEU A 32 -13.950 1.148 8.364 1.00 0.00 C ATOM 0 H LEU A 32 -11.894 5.530 9.279 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.758 4.256 11.138 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.002 3.826 8.750 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.321 3.353 8.600 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.692 1.415 10.095 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -14.987 0.870 10.858 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.445 2.433 11.516 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.583 2.389 10.148 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.216 0.122 8.619 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -14.806 1.640 7.902 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.113 1.143 7.665 1.00 0.00 H new ATOM 508 N LEU A 33 -12.226 2.790 12.484 1.00 0.00 N ATOM 509 CA LEU A 33 -11.277 1.996 13.309 1.00 0.00 C ATOM 510 C LEU A 33 -11.914 0.657 13.672 1.00 0.00 C ATOM 511 O LEU A 33 -13.025 0.596 14.161 1.00 0.00 O ATOM 512 CB LEU A 33 -10.932 2.773 14.578 1.00 0.00 C ATOM 513 CG LEU A 33 -9.832 3.791 14.263 1.00 0.00 C ATOM 514 CD1 LEU A 33 -9.752 4.826 15.387 1.00 0.00 C ATOM 515 CD2 LEU A 33 -8.485 3.074 14.143 1.00 0.00 C ATOM 0 H LEU A 33 -13.169 2.874 12.865 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.363 1.814 12.743 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.817 3.283 14.959 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.598 2.089 15.358 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.066 4.289 13.322 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.969 5.549 15.161 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.708 5.342 15.475 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.522 4.325 16.327 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.704 3.801 13.919 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.255 2.573 15.083 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.535 2.337 13.342 1.00 0.00 H new ATOM 527 N LEU A 34 -11.218 -0.416 13.430 1.00 0.00 N ATOM 528 CA LEU A 34 -11.778 -1.757 13.747 1.00 0.00 C ATOM 529 C LEU A 34 -11.191 -2.259 15.072 1.00 0.00 C ATOM 530 O LEU A 34 -10.041 -2.021 15.382 1.00 0.00 O ATOM 531 CB LEU A 34 -11.421 -2.726 12.618 1.00 0.00 C ATOM 532 CG LEU A 34 -11.869 -2.133 11.277 1.00 0.00 C ATOM 533 CD1 LEU A 34 -11.490 -3.080 10.139 1.00 0.00 C ATOM 534 CD2 LEU A 34 -13.387 -1.943 11.292 1.00 0.00 C ATOM 0 H LEU A 34 -10.282 -0.422 13.025 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.862 -1.693 13.842 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.346 -2.908 12.607 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.906 -3.688 12.783 1.00 0.00 H new ATOM 0 HG LEU A 34 -11.377 -1.172 11.125 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -11.811 -2.653 9.189 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -10.409 -3.221 10.127 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -11.979 -4.042 10.288 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -13.710 -1.521 10.340 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -13.873 -2.907 11.446 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -13.661 -1.265 12.101 1.00 0.00 H new ATOM 546 N GLN A 35 -11.974 -2.950 15.857 1.00 0.00 N ATOM 547 CA GLN A 35 -11.465 -3.464 17.160 1.00 0.00 C ATOM 548 C GLN A 35 -10.988 -4.907 16.989 1.00 0.00 C ATOM 549 O GLN A 35 -11.739 -5.773 16.594 1.00 0.00 O ATOM 550 CB GLN A 35 -12.593 -3.430 18.198 1.00 0.00 C ATOM 551 CG GLN A 35 -12.026 -3.778 19.576 1.00 0.00 C ATOM 552 CD GLN A 35 -13.171 -3.907 20.580 1.00 0.00 C ATOM 553 OE1 GLN A 35 -14.129 -4.617 20.339 1.00 0.00 O ATOM 554 NE2 GLN A 35 -13.116 -3.249 21.707 1.00 0.00 N ATOM 0 H GLN A 35 -12.946 -3.181 15.651 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.636 -2.840 17.495 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.052 -2.442 18.220 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.375 -4.138 17.925 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -11.466 -4.712 19.525 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -11.329 -3.005 19.900 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -12.314 -2.653 21.911 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -13.875 -3.331 22.383 1.00 0.00 H new ATOM 641 N HIS A 42 -6.197 -3.624 20.436 1.00 0.00 N ATOM 642 CA HIS A 42 -5.681 -2.368 19.826 1.00 0.00 C ATOM 643 C HIS A 42 -6.592 -1.950 18.671 1.00 0.00 C ATOM 644 O HIS A 42 -7.227 -2.774 18.040 1.00 0.00 O ATOM 645 CB HIS A 42 -4.269 -2.607 19.294 1.00 0.00 C ATOM 646 CG HIS A 42 -4.295 -3.746 18.312 1.00 0.00 C ATOM 647 ND1 HIS A 42 -4.449 -5.067 18.712 1.00 0.00 N ATOM 648 CD2 HIS A 42 -4.197 -3.779 16.942 1.00 0.00 C ATOM 649 CE1 HIS A 42 -4.440 -5.832 17.603 1.00 0.00 C ATOM 650 NE2 HIS A 42 -4.289 -5.095 16.502 1.00 0.00 N ATOM 0 HA HIS A 42 -5.661 -1.580 20.578 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -3.892 -1.705 18.812 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.592 -2.836 20.117 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -4.068 -2.916 16.305 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -4.542 -6.907 17.605 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -4.249 -5.427 15.538 1.00 0.00 H new ATOM 659 N TRP A 43 -6.658 -0.680 18.382 1.00 0.00 N ATOM 660 CA TRP A 43 -7.525 -0.221 17.263 1.00 0.00 C ATOM 661 C TRP A 43 -6.651 0.062 16.042 1.00 0.00 C ATOM 662 O TRP A 43 -5.645 0.738 16.134 1.00 0.00 O ATOM 663 CB TRP A 43 -8.258 1.052 17.677 1.00 0.00 C ATOM 664 CG TRP A 43 -9.132 0.770 18.856 1.00 0.00 C ATOM 665 CD1 TRP A 43 -8.722 0.768 20.143 1.00 0.00 C ATOM 666 CD2 TRP A 43 -10.553 0.455 18.877 1.00 0.00 C ATOM 667 NE1 TRP A 43 -9.799 0.470 20.954 1.00 0.00 N ATOM 668 CE2 TRP A 43 -10.951 0.271 20.224 1.00 0.00 C ATOM 669 CE3 TRP A 43 -11.530 0.317 17.873 1.00 0.00 C ATOM 670 CZ2 TRP A 43 -12.268 -0.041 20.562 1.00 0.00 C ATOM 671 CZ3 TRP A 43 -12.856 0.004 18.210 1.00 0.00 C ATOM 672 CH2 TRP A 43 -13.224 -0.175 19.552 1.00 0.00 C ATOM 0 H TRP A 43 -6.150 0.057 18.871 1.00 0.00 H new ATOM 0 HA TRP A 43 -8.256 -0.992 17.020 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.539 1.833 17.924 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.859 1.423 16.847 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.716 0.967 20.482 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -9.748 0.405 21.971 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -11.257 0.453 16.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -12.546 -0.178 21.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -13.598 -0.100 17.432 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -14.246 -0.416 19.804 1.00 0.00 H new ATOM 683 N THR A 44 -7.024 -0.449 14.901 1.00 0.00 N ATOM 684 CA THR A 44 -6.208 -0.211 13.675 1.00 0.00 C ATOM 685 C THR A 44 -7.112 -0.300 12.444 1.00 0.00 C ATOM 686 O THR A 44 -8.111 -0.992 12.450 1.00 0.00 O ATOM 687 CB THR A 44 -5.114 -1.278 13.586 1.00 0.00 C ATOM 688 OG1 THR A 44 -5.479 -2.391 14.393 1.00 0.00 O ATOM 689 CG2 THR A 44 -3.787 -0.703 14.085 1.00 0.00 C ATOM 0 H THR A 44 -7.858 -1.021 14.764 1.00 0.00 H new ATOM 0 HA THR A 44 -5.751 0.777 13.719 1.00 0.00 H new ATOM 0 HB THR A 44 -5.001 -1.594 12.549 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.782 -3.078 14.338 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.012 -1.467 14.019 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.507 0.152 13.470 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.895 -0.384 15.122 1.00 0.00 H new ATOM 697 N PRO A 45 -6.762 0.388 11.389 1.00 0.00 N ATOM 698 CA PRO A 45 -7.557 0.377 10.128 1.00 0.00 C ATOM 699 C PRO A 45 -7.456 -0.971 9.409 1.00 0.00 C ATOM 700 O PRO A 45 -6.596 -1.771 9.706 1.00 0.00 O ATOM 701 CB PRO A 45 -6.924 1.483 9.284 1.00 0.00 C ATOM 702 CG PRO A 45 -5.533 1.637 9.806 1.00 0.00 C ATOM 703 CD PRO A 45 -5.576 1.251 11.284 1.00 0.00 C ATOM 0 HA PRO A 45 -8.620 0.534 10.312 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.919 1.216 8.227 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -7.483 2.415 9.375 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.841 0.997 9.259 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.184 2.662 9.683 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.671 0.725 11.586 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.663 2.129 11.924 1.00 0.00 H new ATOM 711 N PRO A 46 -8.332 -1.224 8.474 1.00 0.00 N ATOM 712 CA PRO A 46 -8.329 -2.504 7.712 1.00 0.00 C ATOM 713 C PRO A 46 -6.941 -2.841 7.157 1.00 0.00 C ATOM 714 O PRO A 46 -6.438 -2.166 6.280 1.00 0.00 O ATOM 715 CB PRO A 46 -9.304 -2.252 6.561 1.00 0.00 C ATOM 716 CG PRO A 46 -10.193 -1.141 7.010 1.00 0.00 C ATOM 717 CD PRO A 46 -9.413 -0.324 8.045 1.00 0.00 C ATOM 0 HA PRO A 46 -8.608 -3.347 8.344 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.770 -1.981 5.650 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.883 -3.148 6.337 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -10.483 -0.515 6.166 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -11.112 -1.535 7.445 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.018 0.595 7.612 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -10.046 -0.034 8.883 1.00 0.00 H new ATOM 725 N LYS A 47 -6.323 -3.880 7.654 1.00 0.00 N ATOM 726 CA LYS A 47 -4.972 -4.259 7.144 1.00 0.00 C ATOM 727 C LYS A 47 -5.054 -5.597 6.400 1.00 0.00 C ATOM 728 O LYS A 47 -5.777 -6.492 6.792 1.00 0.00 O ATOM 729 CB LYS A 47 -3.997 -4.394 8.318 1.00 0.00 C ATOM 730 CG LYS A 47 -3.871 -3.051 9.036 1.00 0.00 C ATOM 731 CD LYS A 47 -2.694 -3.096 10.014 1.00 0.00 C ATOM 732 CE LYS A 47 -3.004 -4.070 11.151 1.00 0.00 C ATOM 733 NZ LYS A 47 -2.216 -3.687 12.358 1.00 0.00 N ATOM 0 H LYS A 47 -6.694 -4.482 8.389 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.619 -3.485 6.462 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.350 -5.157 9.012 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.021 -4.718 7.958 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.722 -2.252 8.310 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.793 -2.827 9.572 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.788 -3.407 9.493 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.505 -2.101 10.416 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.070 -4.054 11.378 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.758 -5.088 10.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.631 -4.492 12.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.602 -2.879 12.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.865 -3.423 13.127 1.00 0.00 H new ATOM 747 N GLY A 48 -4.312 -5.739 5.335 1.00 0.00 N ATOM 748 CA GLY A 48 -4.332 -7.017 4.565 1.00 0.00 C ATOM 749 C GLY A 48 -2.970 -7.225 3.903 1.00 0.00 C ATOM 750 O GLY A 48 -2.094 -6.387 3.990 1.00 0.00 O ATOM 0 H GLY A 48 -3.690 -5.021 4.963 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.559 -7.852 5.228 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.117 -6.988 3.809 1.00 0.00 H new ATOM 754 N HIS A 49 -2.781 -8.330 3.238 1.00 0.00 N ATOM 755 CA HIS A 49 -1.475 -8.582 2.569 1.00 0.00 C ATOM 756 C HIS A 49 -1.642 -8.437 1.059 1.00 0.00 C ATOM 757 O HIS A 49 -2.606 -8.909 0.485 1.00 0.00 O ATOM 758 CB HIS A 49 -0.995 -9.996 2.895 1.00 0.00 C ATOM 759 CG HIS A 49 -0.520 -10.052 4.321 1.00 0.00 C ATOM 760 ND1 HIS A 49 -1.383 -10.297 5.381 1.00 0.00 N ATOM 761 CD2 HIS A 49 0.728 -9.903 4.880 1.00 0.00 C ATOM 762 CE1 HIS A 49 -0.650 -10.291 6.512 1.00 0.00 C ATOM 763 NE2 HIS A 49 0.639 -10.057 6.259 1.00 0.00 N ATOM 0 H HIS A 49 -3.475 -9.070 3.129 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.740 -7.860 2.926 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -1.805 -10.710 2.743 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -0.187 -10.281 2.221 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -2.389 -10.453 5.316 1.00 0.00 H new ATOM 0 HD2 HIS A 49 1.636 -9.698 4.333 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -1.055 -10.455 7.500 1.00 0.00 H new ATOM 772 N VAL A 50 -0.717 -7.787 0.412 1.00 0.00 N ATOM 773 CA VAL A 50 -0.824 -7.614 -1.063 1.00 0.00 C ATOM 774 C VAL A 50 -0.072 -8.742 -1.768 1.00 0.00 C ATOM 775 O VAL A 50 1.029 -9.101 -1.400 1.00 0.00 O ATOM 776 CB VAL A 50 -0.226 -6.264 -1.474 1.00 0.00 C ATOM 777 CG1 VAL A 50 0.609 -5.700 -0.329 1.00 0.00 C ATOM 778 CG2 VAL A 50 0.659 -6.447 -2.711 1.00 0.00 C ATOM 0 H VAL A 50 0.109 -7.368 0.840 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.875 -7.643 -1.351 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.034 -5.571 -1.706 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.032 -4.740 -0.626 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.023 -5.562 0.549 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.415 -6.394 -0.090 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.083 -5.485 -3.001 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.465 -7.144 -2.482 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.060 -6.842 -3.532 1.00 0.00 H new ATOM 788 N GLU A 51 -0.669 -9.288 -2.785 1.00 0.00 N ATOM 789 CA GLU A 51 -0.023 -10.388 -3.550 1.00 0.00 C ATOM 790 C GLU A 51 1.105 -9.801 -4.410 1.00 0.00 C ATOM 791 O GLU A 51 1.409 -8.628 -4.318 1.00 0.00 O ATOM 792 CB GLU A 51 -1.091 -11.048 -4.433 1.00 0.00 C ATOM 793 CG GLU A 51 -1.209 -12.541 -4.104 1.00 0.00 C ATOM 794 CD GLU A 51 -2.274 -12.741 -3.024 1.00 0.00 C ATOM 795 OE1 GLU A 51 -2.308 -11.948 -2.095 1.00 0.00 O ATOM 796 OE2 GLU A 51 -3.040 -13.683 -3.143 1.00 0.00 O ATOM 0 H GLU A 51 -1.591 -9.016 -3.125 1.00 0.00 H new ATOM 0 HA GLU A 51 0.403 -11.134 -2.880 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.053 -10.558 -4.279 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.833 -10.920 -5.484 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.474 -13.102 -5.000 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.249 -12.926 -3.759 1.00 0.00 H new ATOM 804 N PRO A 52 1.736 -10.602 -5.236 1.00 0.00 N ATOM 805 CA PRO A 52 2.855 -10.125 -6.102 1.00 0.00 C ATOM 806 C PRO A 52 2.357 -9.257 -7.261 1.00 0.00 C ATOM 807 O PRO A 52 2.558 -8.058 -7.282 1.00 0.00 O ATOM 808 CB PRO A 52 3.488 -11.415 -6.628 1.00 0.00 C ATOM 809 CG PRO A 52 2.420 -12.453 -6.553 1.00 0.00 C ATOM 810 CD PRO A 52 1.459 -12.033 -5.439 1.00 0.00 C ATOM 0 HA PRO A 52 3.554 -9.495 -5.551 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.839 -11.289 -7.652 1.00 0.00 H new ATOM 0 HB3 PRO A 52 4.352 -11.699 -6.028 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.894 -12.534 -7.504 1.00 0.00 H new ATOM 0 HG3 PRO A 52 2.849 -13.432 -6.342 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.421 -12.200 -5.726 1.00 0.00 H new ATOM 0 HD3 PRO A 52 1.633 -12.605 -4.527 1.00 0.00 H new ATOM 818 N GLY A 53 1.698 -9.847 -8.218 1.00 0.00 N ATOM 819 CA GLY A 53 1.178 -9.050 -9.365 1.00 0.00 C ATOM 820 C GLY A 53 -0.072 -8.296 -8.913 1.00 0.00 C ATOM 821 O GLY A 53 -0.817 -7.769 -9.713 1.00 0.00 O ATOM 0 H GLY A 53 1.497 -10.846 -8.256 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.937 -8.349 -9.712 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.941 -9.705 -10.203 1.00 0.00 H new ATOM 825 N GLU A 54 -0.303 -8.246 -7.629 1.00 0.00 N ATOM 826 CA GLU A 54 -1.503 -7.533 -7.110 1.00 0.00 C ATOM 827 C GLU A 54 -1.162 -6.063 -6.881 1.00 0.00 C ATOM 828 O GLU A 54 -0.035 -5.717 -6.590 1.00 0.00 O ATOM 829 CB GLU A 54 -1.935 -8.155 -5.781 1.00 0.00 C ATOM 830 CG GLU A 54 -3.263 -7.544 -5.345 1.00 0.00 C ATOM 831 CD GLU A 54 -3.622 -8.032 -3.941 1.00 0.00 C ATOM 832 OE1 GLU A 54 -2.790 -8.675 -3.325 1.00 0.00 O ATOM 833 OE2 GLU A 54 -4.728 -7.758 -3.505 1.00 0.00 O ATOM 0 H GLU A 54 0.290 -8.670 -6.916 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.312 -7.617 -7.836 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.036 -9.235 -5.888 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.174 -7.980 -5.020 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.194 -6.456 -5.355 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.049 -7.820 -6.048 1.00 0.00 H new ATOM 841 N ASP A 55 -2.125 -5.192 -7.014 1.00 0.00 N ATOM 842 CA ASP A 55 -1.838 -3.747 -6.802 1.00 0.00 C ATOM 843 C ASP A 55 -1.663 -3.469 -5.318 1.00 0.00 C ATOM 844 O ASP A 55 -2.123 -4.208 -4.470 1.00 0.00 O ATOM 845 CB ASP A 55 -2.986 -2.889 -7.304 1.00 0.00 C ATOM 846 CG ASP A 55 -2.563 -1.420 -7.241 1.00 0.00 C ATOM 847 OD1 ASP A 55 -1.829 -0.999 -8.117 1.00 0.00 O ATOM 848 OD2 ASP A 55 -2.977 -0.743 -6.313 1.00 0.00 O ATOM 0 H ASP A 55 -3.090 -5.417 -7.258 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.928 -3.504 -7.351 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.245 -3.164 -8.326 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.875 -3.053 -6.695 1.00 0.00 H new ATOM 854 N ASP A 56 -1.016 -2.392 -5.006 1.00 0.00 N ATOM 855 CA ASP A 56 -0.818 -2.026 -3.580 1.00 0.00 C ATOM 856 C ASP A 56 -2.128 -1.461 -3.022 1.00 0.00 C ATOM 857 O ASP A 56 -2.561 -1.811 -1.940 1.00 0.00 O ATOM 858 CB ASP A 56 0.279 -0.969 -3.494 1.00 0.00 C ATOM 859 CG ASP A 56 1.557 -1.516 -4.130 1.00 0.00 C ATOM 860 OD1 ASP A 56 2.347 -0.720 -4.607 1.00 0.00 O ATOM 861 OD2 ASP A 56 1.722 -2.727 -4.136 1.00 0.00 O ATOM 0 H ASP A 56 -0.611 -1.742 -5.680 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.528 -2.902 -3.000 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.035 -0.059 -4.006 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.462 -0.702 -2.453 1.00 0.00 H new ATOM 867 N LEU A 57 -2.761 -0.584 -3.759 1.00 0.00 N ATOM 868 CA LEU A 57 -4.044 0.014 -3.288 1.00 0.00 C ATOM 869 C LEU A 57 -5.167 -1.024 -3.361 1.00 0.00 C ATOM 870 O LEU A 57 -5.946 -1.162 -2.441 1.00 0.00 O ATOM 871 CB LEU A 57 -4.398 1.220 -4.167 1.00 0.00 C ATOM 872 CG LEU A 57 -5.719 1.837 -3.698 1.00 0.00 C ATOM 873 CD1 LEU A 57 -5.611 2.244 -2.229 1.00 0.00 C ATOM 874 CD2 LEU A 57 -6.027 3.080 -4.542 1.00 0.00 C ATOM 0 H LEU A 57 -2.442 -0.256 -4.671 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.929 0.337 -2.253 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.602 1.963 -4.118 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.481 0.910 -5.209 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.517 1.103 -3.812 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.554 2.682 -1.903 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.390 1.365 -1.623 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.811 2.976 -2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.967 3.521 -4.210 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.224 3.807 -4.425 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.110 2.796 -5.591 1.00 0.00 H new ATOM 886 N GLU A 58 -5.258 -1.758 -4.437 1.00 0.00 N ATOM 887 CA GLU A 58 -6.345 -2.776 -4.537 1.00 0.00 C ATOM 888 C GLU A 58 -6.279 -3.681 -3.315 1.00 0.00 C ATOM 889 O GLU A 58 -7.288 -4.040 -2.744 1.00 0.00 O ATOM 890 CB GLU A 58 -6.166 -3.618 -5.801 1.00 0.00 C ATOM 891 CG GLU A 58 -6.576 -2.808 -7.033 1.00 0.00 C ATOM 892 CD GLU A 58 -5.762 -1.516 -7.109 1.00 0.00 C ATOM 893 OE1 GLU A 58 -4.923 -1.421 -7.986 1.00 0.00 O ATOM 894 OE2 GLU A 58 -5.997 -0.643 -6.291 1.00 0.00 O ATOM 0 H GLU A 58 -4.635 -1.699 -5.243 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.311 -2.273 -4.584 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.127 -3.934 -5.893 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.770 -4.523 -5.733 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.419 -3.399 -7.935 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.640 -2.574 -6.986 1.00 0.00 H new ATOM 902 N THR A 59 -5.098 -4.032 -2.886 1.00 0.00 N ATOM 903 CA THR A 59 -4.989 -4.886 -1.679 1.00 0.00 C ATOM 904 C THR A 59 -5.654 -4.143 -0.526 1.00 0.00 C ATOM 905 O THR A 59 -6.389 -4.710 0.257 1.00 0.00 O ATOM 906 CB THR A 59 -3.517 -5.149 -1.366 1.00 0.00 C ATOM 907 OG1 THR A 59 -2.926 -5.831 -2.463 1.00 0.00 O ATOM 908 CG2 THR A 59 -3.400 -6.007 -0.106 1.00 0.00 C ATOM 0 H THR A 59 -4.213 -3.765 -3.317 1.00 0.00 H new ATOM 0 HA THR A 59 -5.478 -5.847 -1.838 1.00 0.00 H new ATOM 0 HB THR A 59 -3.004 -4.202 -1.199 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.619 -5.179 -3.127 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.348 -6.191 0.112 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.859 -5.485 0.734 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.910 -6.957 -0.264 1.00 0.00 H new ATOM 916 N ALA A 60 -5.427 -2.861 -0.437 1.00 0.00 N ATOM 917 CA ALA A 60 -6.070 -2.070 0.639 1.00 0.00 C ATOM 918 C ALA A 60 -7.573 -2.034 0.369 1.00 0.00 C ATOM 919 O ALA A 60 -8.382 -2.186 1.261 1.00 0.00 O ATOM 920 CB ALA A 60 -5.515 -0.645 0.631 1.00 0.00 C ATOM 0 H ALA A 60 -4.823 -2.331 -1.065 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.870 -2.521 1.611 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.989 -0.065 1.423 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.438 -0.673 0.797 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.722 -0.180 -0.333 1.00 0.00 H new ATOM 926 N LEU A 61 -7.945 -1.847 -0.870 1.00 0.00 N ATOM 927 CA LEU A 61 -9.393 -1.807 -1.225 1.00 0.00 C ATOM 928 C LEU A 61 -10.046 -3.130 -0.848 1.00 0.00 C ATOM 929 O LEU A 61 -11.057 -3.176 -0.174 1.00 0.00 O ATOM 930 CB LEU A 61 -9.528 -1.636 -2.736 1.00 0.00 C ATOM 931 CG LEU A 61 -8.865 -0.336 -3.182 1.00 0.00 C ATOM 932 CD1 LEU A 61 -8.951 -0.223 -4.707 1.00 0.00 C ATOM 933 CD2 LEU A 61 -9.585 0.849 -2.539 1.00 0.00 C ATOM 0 H LEU A 61 -7.305 -1.720 -1.654 1.00 0.00 H new ATOM 0 HA LEU A 61 -9.870 -0.983 -0.695 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -9.067 -2.481 -3.247 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -10.581 -1.630 -3.016 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.819 -0.333 -2.875 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.478 0.705 -5.030 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.439 -1.070 -5.164 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.997 -0.223 -5.013 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -9.112 1.778 -2.857 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -10.631 0.850 -2.847 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -9.526 0.765 -1.454 1.00 0.00 H new ATOM 945 N ARG A 62 -9.475 -4.209 -1.296 1.00 0.00 N ATOM 946 CA ARG A 62 -10.049 -5.544 -0.988 1.00 0.00 C ATOM 947 C ARG A 62 -10.034 -5.775 0.523 1.00 0.00 C ATOM 948 O ARG A 62 -10.995 -6.247 1.097 1.00 0.00 O ATOM 949 CB ARG A 62 -9.212 -6.613 -1.690 1.00 0.00 C ATOM 950 CG ARG A 62 -9.872 -7.980 -1.528 1.00 0.00 C ATOM 951 CD ARG A 62 -8.983 -9.042 -2.173 1.00 0.00 C ATOM 952 NE ARG A 62 -9.676 -10.359 -2.142 1.00 0.00 N ATOM 953 CZ ARG A 62 -9.189 -11.366 -2.813 1.00 0.00 C ATOM 954 NH1 ARG A 62 -8.097 -11.216 -3.514 1.00 0.00 N ATOM 955 NH2 ARG A 62 -9.785 -12.524 -2.778 1.00 0.00 N ATOM 0 H ARG A 62 -8.629 -4.224 -1.866 1.00 0.00 H new ATOM 0 HA ARG A 62 -11.079 -5.597 -1.339 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -9.111 -6.371 -2.748 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.206 -6.633 -1.270 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -10.020 -8.204 -0.471 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -10.857 -7.980 -1.994 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.755 -8.764 -3.202 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -8.033 -9.107 -1.642 1.00 0.00 H new ATOM 0 HE ARG A 62 -10.530 -10.474 -1.597 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.626 -10.312 -3.536 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.716 -12.003 -4.039 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.634 -12.644 -2.225 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.403 -13.310 -3.303 1.00 0.00 H new ATOM 969 N ALA A 63 -8.956 -5.437 1.176 1.00 0.00 N ATOM 970 CA ALA A 63 -8.894 -5.633 2.650 1.00 0.00 C ATOM 971 C ALA A 63 -9.891 -4.692 3.320 1.00 0.00 C ATOM 972 O ALA A 63 -10.504 -5.021 4.316 1.00 0.00 O ATOM 973 CB ALA A 63 -7.483 -5.322 3.159 1.00 0.00 C ATOM 0 H ALA A 63 -8.119 -5.035 0.754 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.140 -6.668 2.888 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.445 -5.468 4.239 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.767 -5.989 2.678 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.231 -4.288 2.923 1.00 0.00 H new ATOM 979 N THR A 64 -10.057 -3.516 2.777 1.00 0.00 N ATOM 980 CA THR A 64 -11.010 -2.542 3.374 1.00 0.00 C ATOM 981 C THR A 64 -12.405 -3.158 3.432 1.00 0.00 C ATOM 982 O THR A 64 -13.101 -3.059 4.423 1.00 0.00 O ATOM 983 CB THR A 64 -11.049 -1.292 2.494 1.00 0.00 C ATOM 984 OG1 THR A 64 -9.733 -0.791 2.331 1.00 0.00 O ATOM 985 CG2 THR A 64 -11.923 -0.221 3.141 1.00 0.00 C ATOM 0 H THR A 64 -9.571 -3.189 1.942 1.00 0.00 H new ATOM 0 HA THR A 64 -10.689 -2.283 4.383 1.00 0.00 H new ATOM 0 HB THR A 64 -11.468 -1.553 1.522 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.249 -1.347 1.685 1.00 0.00 H new ATOM 0 HG21 THR A 64 -11.944 0.665 2.506 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.936 -0.603 3.263 1.00 0.00 H new ATOM 0 HG23 THR A 64 -11.514 0.042 4.117 1.00 0.00 H new ATOM 993 N GLN A 65 -12.825 -3.785 2.370 1.00 0.00 N ATOM 994 CA GLN A 65 -14.180 -4.400 2.354 1.00 0.00 C ATOM 995 C GLN A 65 -14.167 -5.745 3.087 1.00 0.00 C ATOM 996 O GLN A 65 -15.096 -6.085 3.790 1.00 0.00 O ATOM 997 CB GLN A 65 -14.629 -4.583 0.901 1.00 0.00 C ATOM 998 CG GLN A 65 -15.364 -5.915 0.737 1.00 0.00 C ATOM 999 CD GLN A 65 -16.021 -5.958 -0.647 1.00 0.00 C ATOM 1000 OE1 GLN A 65 -15.351 -5.825 -1.652 1.00 0.00 O ATOM 1001 NE2 GLN A 65 -17.310 -6.141 -0.743 1.00 0.00 N ATOM 0 H GLN A 65 -12.287 -3.898 1.511 1.00 0.00 H new ATOM 0 HA GLN A 65 -14.882 -3.745 2.869 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -15.282 -3.761 0.609 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.763 -4.553 0.239 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -14.667 -6.745 0.848 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -16.119 -6.026 1.515 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -17.873 -6.253 0.100 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -17.754 -6.172 -1.661 1.00 0.00 H new ATOM 1010 N GLU A 66 -13.128 -6.518 2.929 1.00 0.00 N ATOM 1011 CA GLU A 66 -13.080 -7.839 3.620 1.00 0.00 C ATOM 1012 C GLU A 66 -13.069 -7.641 5.142 1.00 0.00 C ATOM 1013 O GLU A 66 -13.690 -8.386 5.874 1.00 0.00 O ATOM 1014 CB GLU A 66 -11.821 -8.596 3.196 1.00 0.00 C ATOM 1015 CG GLU A 66 -11.957 -9.047 1.741 1.00 0.00 C ATOM 1016 CD GLU A 66 -10.727 -9.867 1.343 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -9.788 -9.907 2.124 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -10.747 -10.443 0.267 1.00 0.00 O ATOM 0 H GLU A 66 -12.315 -6.295 2.355 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.963 -8.414 3.342 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.945 -7.957 3.308 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.670 -9.461 3.842 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.861 -9.644 1.617 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.056 -8.180 1.088 1.00 0.00 H new ATOM 1026 N GLU A 67 -12.370 -6.651 5.627 1.00 0.00 N ATOM 1027 CA GLU A 67 -12.330 -6.425 7.102 1.00 0.00 C ATOM 1028 C GLU A 67 -13.283 -5.292 7.494 1.00 0.00 C ATOM 1029 O GLU A 67 -13.479 -5.016 8.663 1.00 0.00 O ATOM 1030 CB GLU A 67 -10.906 -6.059 7.524 1.00 0.00 C ATOM 1031 CG GLU A 67 -9.974 -7.245 7.275 1.00 0.00 C ATOM 1032 CD GLU A 67 -8.563 -6.894 7.756 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -8.331 -5.731 8.046 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -7.742 -7.791 7.830 1.00 0.00 O ATOM 0 H GLU A 67 -11.827 -5.991 5.070 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.642 -7.340 7.606 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.562 -5.190 6.963 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.888 -5.785 8.579 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.341 -8.126 7.801 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.957 -7.492 6.213 1.00 0.00 H new ATOM 1042 N ALA A 68 -13.872 -4.624 6.539 1.00 0.00 N ATOM 1043 CA ALA A 68 -14.799 -3.509 6.888 1.00 0.00 C ATOM 1044 C ALA A 68 -16.065 -3.584 6.036 1.00 0.00 C ATOM 1045 O ALA A 68 -17.088 -3.033 6.383 1.00 0.00 O ATOM 1046 CB ALA A 68 -14.102 -2.170 6.641 1.00 0.00 C ATOM 0 H ALA A 68 -13.753 -4.800 5.541 1.00 0.00 H new ATOM 0 HA ALA A 68 -15.073 -3.596 7.939 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -14.779 -1.355 6.896 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -13.207 -2.106 7.260 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -13.822 -2.094 5.590 1.00 0.00 H new ATOM 1052 N GLY A 69 -16.009 -4.250 4.921 1.00 0.00 N ATOM 1053 CA GLY A 69 -17.220 -4.344 4.057 1.00 0.00 C ATOM 1054 C GLY A 69 -17.275 -3.123 3.145 1.00 0.00 C ATOM 1055 O GLY A 69 -18.133 -3.007 2.291 1.00 0.00 O ATOM 0 H GLY A 69 -15.182 -4.733 4.569 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.188 -5.257 3.462 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -18.118 -4.395 4.672 1.00 0.00 H new ATOM 1059 N ILE A 70 -16.362 -2.211 3.316 1.00 0.00 N ATOM 1060 CA ILE A 70 -16.360 -1.000 2.459 1.00 0.00 C ATOM 1061 C ILE A 70 -15.251 -1.133 1.413 1.00 0.00 C ATOM 1062 O ILE A 70 -14.104 -1.378 1.739 1.00 0.00 O ATOM 1063 CB ILE A 70 -16.093 0.235 3.313 1.00 0.00 C ATOM 1064 CG1 ILE A 70 -16.935 0.179 4.590 1.00 0.00 C ATOM 1065 CG2 ILE A 70 -16.488 1.472 2.515 1.00 0.00 C ATOM 1066 CD1 ILE A 70 -16.314 1.080 5.661 1.00 0.00 C ATOM 0 H ILE A 70 -15.618 -2.253 4.012 1.00 0.00 H new ATOM 0 HA ILE A 70 -17.329 -0.899 1.969 1.00 0.00 H new ATOM 0 HB ILE A 70 -15.037 0.272 3.580 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -17.955 0.500 4.378 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -16.993 -0.847 4.954 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -16.303 2.365 3.112 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -15.897 1.519 1.600 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -17.547 1.418 2.261 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -16.917 1.036 6.568 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -15.302 0.739 5.881 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -16.280 2.107 5.297 1.00 0.00 H new ATOM 1078 N GLU A 71 -15.581 -0.972 0.160 1.00 0.00 N ATOM 1079 CA GLU A 71 -14.554 -1.085 -0.913 1.00 0.00 C ATOM 1080 C GLU A 71 -14.455 0.243 -1.672 1.00 0.00 C ATOM 1081 O GLU A 71 -15.263 1.134 -1.493 1.00 0.00 O ATOM 1082 CB GLU A 71 -14.938 -2.221 -1.870 1.00 0.00 C ATOM 1083 CG GLU A 71 -14.327 -1.986 -3.253 1.00 0.00 C ATOM 1084 CD GLU A 71 -14.691 -3.148 -4.178 1.00 0.00 C ATOM 1085 OE1 GLU A 71 -15.389 -4.040 -3.728 1.00 0.00 O ATOM 1086 OE2 GLU A 71 -14.262 -3.127 -5.321 1.00 0.00 O ATOM 0 H GLU A 71 -16.525 -0.766 -0.168 1.00 0.00 H new ATOM 0 HA GLU A 71 -13.583 -1.309 -0.471 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -14.592 -3.174 -1.470 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -16.023 -2.285 -1.951 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.694 -1.048 -3.669 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.244 -1.897 -3.173 1.00 0.00 H new ATOM 1094 N ALA A 72 -13.467 0.384 -2.515 1.00 0.00 N ATOM 1095 CA ALA A 72 -13.310 1.658 -3.281 1.00 0.00 C ATOM 1096 C ALA A 72 -14.642 2.036 -3.929 1.00 0.00 C ATOM 1097 O ALA A 72 -14.976 3.199 -4.046 1.00 0.00 O ATOM 1098 CB ALA A 72 -12.237 1.479 -4.351 1.00 0.00 C ATOM 0 H ALA A 72 -12.761 -0.327 -2.707 1.00 0.00 H new ATOM 0 HA ALA A 72 -13.008 2.457 -2.604 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.122 2.408 -4.910 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.290 1.221 -3.877 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.531 0.680 -5.032 1.00 0.00 H new ATOM 1104 N GLY A 73 -15.418 1.070 -4.321 1.00 0.00 N ATOM 1105 CA GLY A 73 -16.737 1.391 -4.924 1.00 0.00 C ATOM 1106 C GLY A 73 -17.631 1.953 -3.822 1.00 0.00 C ATOM 1107 O GLY A 73 -18.757 2.345 -4.054 1.00 0.00 O ATOM 0 H GLY A 73 -15.198 0.076 -4.251 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -16.622 2.116 -5.729 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -17.185 0.498 -5.361 1.00 0.00 H new ATOM 1111 N GLN A 74 -17.124 1.990 -2.615 1.00 0.00 N ATOM 1112 CA GLN A 74 -17.924 2.519 -1.475 1.00 0.00 C ATOM 1113 C GLN A 74 -17.195 3.694 -0.813 1.00 0.00 C ATOM 1114 O GLN A 74 -17.779 4.420 -0.037 1.00 0.00 O ATOM 1115 CB GLN A 74 -18.145 1.407 -0.450 1.00 0.00 C ATOM 1116 CG GLN A 74 -19.013 0.311 -1.069 1.00 0.00 C ATOM 1117 CD GLN A 74 -19.241 -0.797 -0.042 1.00 0.00 C ATOM 1118 OE1 GLN A 74 -18.445 -1.709 0.077 1.00 0.00 O ATOM 1119 NE2 GLN A 74 -20.302 -0.755 0.713 1.00 0.00 N ATOM 0 H GLN A 74 -16.185 1.674 -2.372 1.00 0.00 H new ATOM 0 HA GLN A 74 -18.886 2.870 -1.849 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -17.187 0.993 -0.134 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -18.628 1.809 0.441 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -19.968 0.726 -1.390 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -18.527 -0.095 -1.956 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -20.969 0.010 0.613 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -20.465 -1.487 1.404 1.00 0.00 H new ATOM 1128 N LEU A 75 -15.936 3.910 -1.116 1.00 0.00 N ATOM 1129 CA LEU A 75 -15.229 5.072 -0.493 1.00 0.00 C ATOM 1130 C LEU A 75 -14.552 5.905 -1.574 1.00 0.00 C ATOM 1131 O LEU A 75 -14.698 5.662 -2.755 1.00 0.00 O ATOM 1132 CB LEU A 75 -14.150 4.647 0.526 1.00 0.00 C ATOM 1133 CG LEU A 75 -13.958 3.125 0.569 1.00 0.00 C ATOM 1134 CD1 LEU A 75 -12.693 2.753 -0.202 1.00 0.00 C ATOM 1135 CD2 LEU A 75 -13.777 2.671 2.015 1.00 0.00 C ATOM 0 H LEU A 75 -15.378 3.344 -1.755 1.00 0.00 H new ATOM 0 HA LEU A 75 -15.990 5.645 0.036 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.204 5.123 0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.429 5.004 1.517 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.832 2.646 0.128 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.554 1.672 -0.173 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.789 3.079 -1.238 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.832 3.242 0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -13.641 1.590 2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -12.901 3.158 2.442 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.660 2.940 2.594 1.00 0.00 H new ATOM 1147 N THR A 76 -13.802 6.887 -1.164 1.00 0.00 N ATOM 1148 CA THR A 76 -13.089 7.752 -2.138 1.00 0.00 C ATOM 1149 C THR A 76 -11.620 7.825 -1.733 1.00 0.00 C ATOM 1150 O THR A 76 -11.276 8.417 -0.730 1.00 0.00 O ATOM 1151 CB THR A 76 -13.701 9.151 -2.120 1.00 0.00 C ATOM 1152 OG1 THR A 76 -14.994 9.102 -2.705 1.00 0.00 O ATOM 1153 CG2 THR A 76 -12.810 10.114 -2.900 1.00 0.00 C ATOM 0 H THR A 76 -13.652 7.129 -0.185 1.00 0.00 H new ATOM 0 HA THR A 76 -13.177 7.341 -3.144 1.00 0.00 H new ATOM 0 HB THR A 76 -13.782 9.503 -1.092 1.00 0.00 H new ATOM 0 HG1 THR A 76 -15.392 9.997 -2.694 1.00 0.00 H new ATOM 0 HG21 THR A 76 -13.251 11.111 -2.884 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.821 10.147 -2.442 1.00 0.00 H new ATOM 0 HG23 THR A 76 -12.721 9.773 -3.931 1.00 0.00 H new ATOM 1161 N ILE A 77 -10.750 7.230 -2.497 1.00 0.00 N ATOM 1162 CA ILE A 77 -9.304 7.264 -2.139 1.00 0.00 C ATOM 1163 C ILE A 77 -8.730 8.619 -2.552 1.00 0.00 C ATOM 1164 O ILE A 77 -8.944 9.083 -3.654 1.00 0.00 O ATOM 1165 CB ILE A 77 -8.572 6.147 -2.887 1.00 0.00 C ATOM 1166 CG1 ILE A 77 -9.415 4.864 -2.855 1.00 0.00 C ATOM 1167 CG2 ILE A 77 -7.210 5.897 -2.229 1.00 0.00 C ATOM 1168 CD1 ILE A 77 -9.451 4.281 -1.439 1.00 0.00 C ATOM 0 H ILE A 77 -10.975 6.722 -3.352 1.00 0.00 H new ATOM 0 HA ILE A 77 -9.179 7.120 -1.066 1.00 0.00 H new ATOM 0 HB ILE A 77 -8.419 6.444 -3.924 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.429 5.080 -3.192 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -8.999 4.131 -3.546 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.689 5.102 -2.762 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.615 6.809 -2.267 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.357 5.602 -1.190 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -10.053 3.372 -1.435 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.437 4.046 -1.116 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.889 5.009 -0.757 1.00 0.00 H new ATOM 1180 N ILE A 78 -8.012 9.267 -1.678 1.00 0.00 N ATOM 1181 CA ILE A 78 -7.444 10.598 -2.033 1.00 0.00 C ATOM 1182 C ILE A 78 -6.069 10.425 -2.669 1.00 0.00 C ATOM 1183 O ILE A 78 -5.280 9.590 -2.271 1.00 0.00 O ATOM 1184 CB ILE A 78 -7.343 11.467 -0.781 1.00 0.00 C ATOM 1185 CG1 ILE A 78 -8.403 12.567 -0.857 1.00 0.00 C ATOM 1186 CG2 ILE A 78 -5.948 12.101 -0.692 1.00 0.00 C ATOM 1187 CD1 ILE A 78 -9.796 11.938 -0.799 1.00 0.00 C ATOM 0 H ILE A 78 -7.794 8.935 -0.738 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.101 11.088 -2.751 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.506 10.852 0.104 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.274 13.268 -0.032 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.287 13.135 -1.780 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.886 12.719 0.204 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.194 11.316 -0.644 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.773 12.720 -1.572 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -10.552 12.722 -0.853 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -9.922 11.254 -1.638 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.909 11.389 0.136 1.00 0.00 H new ATOM 1199 N GLU A 79 -5.792 11.207 -3.668 1.00 0.00 N ATOM 1200 CA GLU A 79 -4.482 11.105 -4.364 1.00 0.00 C ATOM 1201 C GLU A 79 -3.560 12.237 -3.912 1.00 0.00 C ATOM 1202 O GLU A 79 -4.005 13.301 -3.527 1.00 0.00 O ATOM 1203 CB GLU A 79 -4.712 11.196 -5.869 1.00 0.00 C ATOM 1204 CG GLU A 79 -5.616 10.044 -6.312 1.00 0.00 C ATOM 1205 CD GLU A 79 -5.813 10.101 -7.827 1.00 0.00 C ATOM 1206 OE1 GLU A 79 -5.417 11.093 -8.419 1.00 0.00 O ATOM 1207 OE2 GLU A 79 -6.354 9.153 -8.373 1.00 0.00 O ATOM 0 H GLU A 79 -6.422 11.920 -4.037 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.012 10.152 -4.120 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.171 12.152 -6.121 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.760 11.150 -6.398 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.172 9.090 -6.028 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.580 10.110 -5.807 1.00 0.00 H new ATOM 1215 N GLY A 80 -2.277 12.014 -3.951 1.00 0.00 N ATOM 1216 CA GLY A 80 -1.318 13.070 -3.522 1.00 0.00 C ATOM 1217 C GLY A 80 -0.749 12.707 -2.155 1.00 0.00 C ATOM 1218 O GLY A 80 0.329 13.132 -1.789 1.00 0.00 O ATOM 0 H GLY A 80 -1.849 11.142 -4.263 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.513 13.164 -4.251 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.820 14.036 -3.475 1.00 0.00 H new ATOM 1222 N PHE A 81 -1.455 11.913 -1.403 1.00 0.00 N ATOM 1223 CA PHE A 81 -0.944 11.511 -0.064 1.00 0.00 C ATOM 1224 C PHE A 81 -0.544 10.041 -0.085 1.00 0.00 C ATOM 1225 O PHE A 81 -1.330 9.182 -0.433 1.00 0.00 O ATOM 1226 CB PHE A 81 -2.031 11.706 0.993 1.00 0.00 C ATOM 1227 CG PHE A 81 -1.532 11.150 2.305 1.00 0.00 C ATOM 1228 CD1 PHE A 81 -1.646 9.779 2.567 1.00 0.00 C ATOM 1229 CD2 PHE A 81 -0.936 11.995 3.249 1.00 0.00 C ATOM 1230 CE1 PHE A 81 -1.171 9.253 3.773 1.00 0.00 C ATOM 1231 CE2 PHE A 81 -0.458 11.466 4.455 1.00 0.00 C ATOM 1232 CZ PHE A 81 -0.577 10.096 4.716 1.00 0.00 C ATOM 0 H PHE A 81 -2.363 11.525 -1.657 1.00 0.00 H new ATOM 0 HA PHE A 81 -0.080 12.130 0.178 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.272 12.764 1.097 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -2.947 11.199 0.691 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -2.101 9.127 1.837 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.845 13.052 3.048 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -1.263 8.196 3.975 1.00 0.00 H new ATOM 0 HE2 PHE A 81 0.003 12.116 5.184 1.00 0.00 H new ATOM 0 HZ PHE A 81 -0.209 9.690 5.647 1.00 0.00 H new ATOM 1242 N LYS A 82 0.663 9.729 0.304 1.00 0.00 N ATOM 1243 CA LYS A 82 1.072 8.302 0.316 1.00 0.00 C ATOM 1244 C LYS A 82 2.220 8.102 1.303 1.00 0.00 C ATOM 1245 O LYS A 82 3.175 8.850 1.328 1.00 0.00 O ATOM 1246 CB LYS A 82 1.533 7.863 -1.067 1.00 0.00 C ATOM 1247 CG LYS A 82 1.283 6.362 -1.213 1.00 0.00 C ATOM 1248 CD LYS A 82 1.801 5.877 -2.567 1.00 0.00 C ATOM 1249 CE LYS A 82 3.325 5.768 -2.528 1.00 0.00 C ATOM 1250 NZ LYS A 82 3.912 6.700 -3.529 1.00 0.00 N ATOM 0 H LYS A 82 1.373 10.394 0.610 1.00 0.00 H new ATOM 0 HA LYS A 82 0.211 7.703 0.614 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.993 8.413 -1.838 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.592 8.085 -1.200 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.782 5.822 -0.408 1.00 0.00 H new ATOM 0 HG3 LYS A 82 0.217 6.152 -1.125 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.364 4.908 -2.808 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.496 6.569 -3.352 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.693 6.009 -1.531 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.633 4.745 -2.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.949 6.628 -3.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.570 6.450 -4.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.628 7.675 -3.304 1.00 0.00 H new ATOM 1264 N ARG A 83 2.130 7.085 2.100 1.00 0.00 N ATOM 1265 CA ARG A 83 3.205 6.793 3.086 1.00 0.00 C ATOM 1266 C ARG A 83 3.025 5.364 3.576 1.00 0.00 C ATOM 1267 O ARG A 83 1.958 4.795 3.458 1.00 0.00 O ATOM 1268 CB ARG A 83 3.116 7.751 4.275 1.00 0.00 C ATOM 1269 CG ARG A 83 3.810 9.074 3.944 1.00 0.00 C ATOM 1270 CD ARG A 83 4.550 9.574 5.184 1.00 0.00 C ATOM 1271 NE ARG A 83 5.525 8.536 5.625 1.00 0.00 N ATOM 1272 CZ ARG A 83 5.906 8.489 6.870 1.00 0.00 C ATOM 1273 NH1 ARG A 83 5.446 9.358 7.728 1.00 0.00 N ATOM 1274 NH2 ARG A 83 6.750 7.571 7.258 1.00 0.00 N ATOM 0 H ARG A 83 1.347 6.431 2.114 1.00 0.00 H new ATOM 0 HA ARG A 83 4.179 6.919 2.613 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.071 7.933 4.526 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.580 7.298 5.151 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.509 8.936 3.119 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.077 9.813 3.620 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.069 10.506 4.961 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.841 9.787 5.984 1.00 0.00 H new ATOM 0 HE ARG A 83 5.893 7.863 4.953 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.787 10.075 7.424 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.745 9.320 8.702 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.110 6.892 6.587 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.049 7.533 8.232 1.00 0.00 H new ATOM 1288 N GLU A 84 4.044 4.776 4.129 1.00 0.00 N ATOM 1289 CA GLU A 84 3.890 3.387 4.620 1.00 0.00 C ATOM 1290 C GLU A 84 4.520 3.243 5.993 1.00 0.00 C ATOM 1291 O GLU A 84 5.615 3.709 6.240 1.00 0.00 O ATOM 1292 CB GLU A 84 4.539 2.402 3.648 1.00 0.00 C ATOM 1293 CG GLU A 84 6.035 2.688 3.510 1.00 0.00 C ATOM 1294 CD GLU A 84 6.257 4.159 3.154 1.00 0.00 C ATOM 1295 OE1 GLU A 84 5.678 4.606 2.175 1.00 0.00 O ATOM 1296 OE2 GLU A 84 7.001 4.817 3.864 1.00 0.00 O ATOM 0 H GLU A 84 4.966 5.192 4.261 1.00 0.00 H new ATOM 0 HA GLU A 84 2.826 3.163 4.691 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.389 1.382 4.002 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.058 2.475 2.673 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.546 2.450 4.443 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.466 2.050 2.738 1.00 0.00 H new ATOM 1304 N LEU A 85 3.845 2.584 6.891 1.00 0.00 N ATOM 1305 CA LEU A 85 4.421 2.400 8.242 1.00 0.00 C ATOM 1306 C LEU A 85 5.237 1.114 8.223 1.00 0.00 C ATOM 1307 O LEU A 85 4.740 0.059 7.884 1.00 0.00 O ATOM 1308 CB LEU A 85 3.298 2.292 9.276 1.00 0.00 C ATOM 1309 CG LEU A 85 2.291 3.432 9.062 1.00 0.00 C ATOM 1310 CD1 LEU A 85 1.425 3.606 10.313 1.00 0.00 C ATOM 1311 CD2 LEU A 85 3.029 4.737 8.769 1.00 0.00 C ATOM 0 H LEU A 85 2.925 2.168 6.746 1.00 0.00 H new ATOM 0 HA LEU A 85 5.051 3.248 8.510 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.797 1.328 9.185 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.711 2.342 10.283 1.00 0.00 H new ATOM 0 HG LEU A 85 1.655 3.181 8.213 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.714 4.416 10.153 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.883 2.681 10.512 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.061 3.844 11.165 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.306 5.538 8.619 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.677 4.985 9.610 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.632 4.620 7.869 1.00 0.00 H new ATOM 1323 N ASN A 86 6.495 1.196 8.558 1.00 0.00 N ATOM 1324 CA ASN A 86 7.346 -0.020 8.525 1.00 0.00 C ATOM 1325 C ASN A 86 7.934 -0.276 9.910 1.00 0.00 C ATOM 1326 O ASN A 86 8.559 0.582 10.501 1.00 0.00 O ATOM 1327 CB ASN A 86 8.477 0.193 7.518 1.00 0.00 C ATOM 1328 CG ASN A 86 7.885 0.644 6.179 1.00 0.00 C ATOM 1329 OD1 ASN A 86 6.681 0.714 6.027 1.00 0.00 O ATOM 1330 ND2 ASN A 86 8.686 0.960 5.198 1.00 0.00 N ATOM 0 H ASN A 86 6.967 2.051 8.852 1.00 0.00 H new ATOM 0 HA ASN A 86 6.746 -0.881 8.230 1.00 0.00 H new ATOM 0 HB2 ASN A 86 9.175 0.943 7.891 1.00 0.00 H new ATOM 0 HB3 ASN A 86 9.041 -0.730 7.387 1.00 0.00 H new ATOM 0 HD21 ASN A 86 8.302 1.266 4.304 1.00 0.00 H new ATOM 0 HD22 ASN A 86 9.696 0.901 5.325 1.00 0.00 H new ATOM 1337 N TYR A 87 7.741 -1.459 10.430 1.00 0.00 N ATOM 1338 CA TYR A 87 8.285 -1.789 11.774 1.00 0.00 C ATOM 1339 C TYR A 87 8.223 -3.297 11.982 1.00 0.00 C ATOM 1340 O TYR A 87 7.405 -3.980 11.399 1.00 0.00 O ATOM 1341 CB TYR A 87 7.450 -1.100 12.850 1.00 0.00 C ATOM 1342 CG TYR A 87 5.986 -1.402 12.623 1.00 0.00 C ATOM 1343 CD1 TYR A 87 5.440 -2.617 13.057 1.00 0.00 C ATOM 1344 CD2 TYR A 87 5.174 -0.463 11.974 1.00 0.00 C ATOM 1345 CE1 TYR A 87 4.082 -2.890 12.842 1.00 0.00 C ATOM 1346 CE2 TYR A 87 3.821 -0.737 11.759 1.00 0.00 C ATOM 1347 CZ TYR A 87 3.274 -1.949 12.193 1.00 0.00 C ATOM 1348 OH TYR A 87 1.936 -2.214 11.982 1.00 0.00 O ATOM 0 H TYR A 87 7.226 -2.214 9.976 1.00 0.00 H new ATOM 0 HA TYR A 87 9.318 -1.446 11.842 1.00 0.00 H new ATOM 0 HB2 TYR A 87 7.754 -1.445 13.838 1.00 0.00 H new ATOM 0 HB3 TYR A 87 7.619 -0.023 12.822 1.00 0.00 H new ATOM 0 HD1 TYR A 87 6.065 -3.343 13.557 1.00 0.00 H new ATOM 0 HD2 TYR A 87 5.594 0.474 11.639 1.00 0.00 H new ATOM 0 HE1 TYR A 87 3.659 -3.826 13.177 1.00 0.00 H new ATOM 0 HE2 TYR A 87 3.197 -0.012 11.257 1.00 0.00 H new ATOM 0 HH TYR A 87 1.521 -1.456 11.520 1.00 0.00 H new ATOM 1444 N PRO A 93 9.399 -7.421 10.085 1.00 0.00 N ATOM 1445 CA PRO A 93 9.106 -6.023 9.637 1.00 0.00 C ATOM 1446 C PRO A 93 7.945 -5.983 8.660 1.00 0.00 C ATOM 1447 O PRO A 93 7.859 -6.798 7.779 1.00 0.00 O ATOM 1448 CB PRO A 93 10.376 -5.621 8.908 1.00 0.00 C ATOM 1449 CG PRO A 93 10.876 -6.903 8.343 1.00 0.00 C ATOM 1450 CD PRO A 93 10.569 -7.962 9.390 1.00 0.00 C ATOM 0 HA PRO A 93 8.836 -5.374 10.470 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.175 -4.890 8.125 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.102 -5.171 9.585 1.00 0.00 H new ATOM 0 HG2 PRO A 93 10.384 -7.133 7.398 1.00 0.00 H new ATOM 0 HG3 PRO A 93 11.946 -6.851 8.141 1.00 0.00 H new ATOM 0 HD2 PRO A 93 10.354 -8.928 8.934 1.00 0.00 H new ATOM 0 HD3 PRO A 93 11.408 -8.110 10.070 1.00 0.00 H new ATOM 1458 N LYS A 94 7.064 -5.042 8.779 1.00 0.00 N ATOM 1459 CA LYS A 94 5.932 -4.990 7.815 1.00 0.00 C ATOM 1460 C LYS A 94 5.788 -3.594 7.239 1.00 0.00 C ATOM 1461 O LYS A 94 5.548 -2.641 7.951 1.00 0.00 O ATOM 1462 CB LYS A 94 4.634 -5.370 8.519 1.00 0.00 C ATOM 1463 CG LYS A 94 4.612 -6.871 8.796 1.00 0.00 C ATOM 1464 CD LYS A 94 3.302 -7.237 9.491 1.00 0.00 C ATOM 1465 CE LYS A 94 2.168 -7.266 8.463 1.00 0.00 C ATOM 1466 NZ LYS A 94 1.800 -8.679 8.165 1.00 0.00 N ATOM 0 H LYS A 94 7.073 -4.312 9.491 1.00 0.00 H new ATOM 0 HA LYS A 94 6.137 -5.693 7.008 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.542 -4.818 9.454 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.780 -5.093 7.900 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.709 -7.426 7.863 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.459 -7.149 9.422 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.394 -8.210 9.974 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.079 -6.512 10.274 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.302 -6.727 8.847 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.479 -6.760 7.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.515 -8.761 7.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.618 -9.296 8.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.009 -8.968 8.776 1.00 0.00 H new ATOM 1480 N THR A 95 5.887 -3.470 5.949 1.00 0.00 N ATOM 1481 CA THR A 95 5.706 -2.137 5.338 1.00 0.00 C ATOM 1482 C THR A 95 4.224 -1.987 5.040 1.00 0.00 C ATOM 1483 O THR A 95 3.640 -2.783 4.332 1.00 0.00 O ATOM 1484 CB THR A 95 6.512 -2.025 4.038 1.00 0.00 C ATOM 1485 OG1 THR A 95 7.895 -1.893 4.343 1.00 0.00 O ATOM 1486 CG2 THR A 95 6.044 -0.797 3.251 1.00 0.00 C ATOM 0 H THR A 95 6.084 -4.230 5.298 1.00 0.00 H new ATOM 0 HA THR A 95 6.056 -1.356 6.012 1.00 0.00 H new ATOM 0 HB THR A 95 6.358 -2.922 3.439 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.408 -1.823 3.511 1.00 0.00 H new ATOM 0 HG21 THR A 95 6.617 -0.717 2.327 1.00 0.00 H new ATOM 0 HG22 THR A 95 4.985 -0.899 3.014 1.00 0.00 H new ATOM 0 HG23 THR A 95 6.197 0.100 3.851 1.00 0.00 H new ATOM 1494 N VAL A 96 3.604 -0.991 5.590 1.00 0.00 N ATOM 1495 CA VAL A 96 2.150 -0.809 5.354 1.00 0.00 C ATOM 1496 C VAL A 96 1.923 0.507 4.627 1.00 0.00 C ATOM 1497 O VAL A 96 2.289 1.553 5.108 1.00 0.00 O ATOM 1498 CB VAL A 96 1.441 -0.784 6.706 1.00 0.00 C ATOM 1499 CG1 VAL A 96 -0.069 -0.660 6.499 1.00 0.00 C ATOM 1500 CG2 VAL A 96 1.744 -2.082 7.464 1.00 0.00 C ATOM 0 H VAL A 96 4.039 -0.293 6.194 1.00 0.00 H new ATOM 0 HA VAL A 96 1.757 -1.624 4.746 1.00 0.00 H new ATOM 0 HB VAL A 96 1.797 0.071 7.282 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.569 -0.643 7.467 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.288 0.262 5.961 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.428 -1.511 5.921 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.239 -2.066 8.430 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.390 -2.934 6.883 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.819 -2.170 7.619 1.00 0.00 H new ATOM 1510 N ILE A 97 1.308 0.461 3.475 1.00 0.00 N ATOM 1511 CA ILE A 97 1.047 1.715 2.716 1.00 0.00 C ATOM 1512 C ILE A 97 -0.394 2.144 2.982 1.00 0.00 C ATOM 1513 O ILE A 97 -1.317 1.373 2.815 1.00 0.00 O ATOM 1514 CB ILE A 97 1.246 1.454 1.217 1.00 0.00 C ATOM 1515 CG1 ILE A 97 2.633 0.825 0.980 1.00 0.00 C ATOM 1516 CG2 ILE A 97 1.128 2.773 0.447 1.00 0.00 C ATOM 1517 CD1 ILE A 97 3.633 1.879 0.484 1.00 0.00 C ATOM 0 H ILE A 97 0.975 -0.393 3.028 1.00 0.00 H new ATOM 0 HA ILE A 97 1.733 2.501 3.031 1.00 0.00 H new ATOM 0 HB ILE A 97 0.479 0.765 0.863 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.998 0.379 1.905 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.552 0.021 0.248 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.269 2.587 -0.618 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.140 3.203 0.612 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.890 3.469 0.798 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.605 1.412 0.324 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.277 2.306 -0.453 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.729 2.669 1.229 1.00 0.00 H new ATOM 1529 N TYR A 98 -0.598 3.358 3.419 1.00 0.00 N ATOM 1530 CA TYR A 98 -1.984 3.809 3.722 1.00 0.00 C ATOM 1531 C TYR A 98 -2.421 4.936 2.792 1.00 0.00 C ATOM 1532 O TYR A 98 -1.709 5.896 2.569 1.00 0.00 O ATOM 1533 CB TYR A 98 -2.052 4.339 5.156 1.00 0.00 C ATOM 1534 CG TYR A 98 -2.036 3.198 6.146 1.00 0.00 C ATOM 1535 CD1 TYR A 98 -3.099 2.287 6.189 1.00 0.00 C ATOM 1536 CD2 TYR A 98 -0.961 3.059 7.032 1.00 0.00 C ATOM 1537 CE1 TYR A 98 -3.086 1.241 7.119 1.00 0.00 C ATOM 1538 CE2 TYR A 98 -0.950 2.014 7.960 1.00 0.00 C ATOM 1539 CZ TYR A 98 -2.013 1.104 8.004 1.00 0.00 C ATOM 1540 OH TYR A 98 -2.000 0.073 8.922 1.00 0.00 O ATOM 0 H TYR A 98 0.132 4.052 3.578 1.00 0.00 H new ATOM 0 HA TYR A 98 -2.642 2.951 3.586 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -1.208 5.003 5.344 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.958 4.930 5.288 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -3.928 2.392 5.505 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -0.140 3.760 6.998 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -3.906 0.539 7.153 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.121 1.908 8.644 1.00 0.00 H new ATOM 0 HH TYR A 98 -1.182 0.123 9.459 1.00 0.00 H new ATOM 1550 N TRP A 99 -3.621 4.840 2.297 1.00 0.00 N ATOM 1551 CA TRP A 99 -4.177 5.911 1.432 1.00 0.00 C ATOM 1552 C TRP A 99 -5.365 6.511 2.182 1.00 0.00 C ATOM 1553 O TRP A 99 -6.086 5.808 2.860 1.00 0.00 O ATOM 1554 CB TRP A 99 -4.658 5.321 0.106 1.00 0.00 C ATOM 1555 CG TRP A 99 -3.513 5.165 -0.835 1.00 0.00 C ATOM 1556 CD1 TRP A 99 -3.046 6.133 -1.659 1.00 0.00 C ATOM 1557 CD2 TRP A 99 -2.688 3.992 -1.071 1.00 0.00 C ATOM 1558 NE1 TRP A 99 -1.991 5.621 -2.394 1.00 0.00 N ATOM 1559 CE2 TRP A 99 -1.732 4.307 -2.065 1.00 0.00 C ATOM 1560 CE3 TRP A 99 -2.677 2.693 -0.526 1.00 0.00 C ATOM 1561 CZ2 TRP A 99 -0.801 3.368 -2.506 1.00 0.00 C ATOM 1562 CZ3 TRP A 99 -1.738 1.745 -0.966 1.00 0.00 C ATOM 1563 CH2 TRP A 99 -0.804 2.085 -1.956 1.00 0.00 C ATOM 0 H TRP A 99 -4.249 4.052 2.458 1.00 0.00 H new ATOM 0 HA TRP A 99 -3.420 6.665 1.214 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -5.129 4.354 0.280 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -5.415 5.969 -0.335 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -3.433 7.139 -1.731 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -1.469 6.150 -3.093 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -3.395 2.424 0.235 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 -0.082 3.631 -3.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -1.735 0.752 -0.541 1.00 0.00 H new ATOM 0 HH2 TRP A 99 -0.086 1.352 -2.293 1.00 0.00 H new ATOM 1574 N LEU A 100 -5.585 7.787 2.083 1.00 0.00 N ATOM 1575 CA LEU A 100 -6.740 8.370 2.812 1.00 0.00 C ATOM 1576 C LEU A 100 -8.005 8.041 2.023 1.00 0.00 C ATOM 1577 O LEU A 100 -8.051 8.201 0.819 1.00 0.00 O ATOM 1578 CB LEU A 100 -6.568 9.885 2.927 1.00 0.00 C ATOM 1579 CG LEU A 100 -5.083 10.237 2.831 1.00 0.00 C ATOM 1580 CD1 LEU A 100 -4.893 11.715 3.162 1.00 0.00 C ATOM 1581 CD2 LEU A 100 -4.284 9.388 3.825 1.00 0.00 C ATOM 0 H LEU A 100 -5.026 8.444 1.538 1.00 0.00 H new ATOM 0 HA LEU A 100 -6.807 7.957 3.818 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.124 10.386 2.134 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.976 10.237 3.874 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.729 10.037 1.820 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.835 11.970 3.095 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -5.458 12.322 2.455 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.250 11.910 4.173 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.227 9.642 3.753 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.636 9.585 4.837 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.420 8.332 3.593 1.00 0.00 H new ATOM 1593 N ALA A 101 -9.025 7.559 2.679 1.00 0.00 N ATOM 1594 CA ALA A 101 -10.267 7.199 1.938 1.00 0.00 C ATOM 1595 C ALA A 101 -11.493 7.732 2.674 1.00 0.00 C ATOM 1596 O ALA A 101 -11.484 7.904 3.876 1.00 0.00 O ATOM 1597 CB ALA A 101 -10.368 5.676 1.835 1.00 0.00 C ATOM 0 H ALA A 101 -9.053 7.400 3.686 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.228 7.641 0.942 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -11.275 5.407 1.294 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.499 5.289 1.302 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.402 5.245 2.836 1.00 0.00 H new ATOM 1603 N GLU A 102 -12.555 7.985 1.957 1.00 0.00 N ATOM 1604 CA GLU A 102 -13.795 8.494 2.603 1.00 0.00 C ATOM 1605 C GLU A 102 -14.965 7.591 2.214 1.00 0.00 C ATOM 1606 O GLU A 102 -15.237 7.400 1.048 1.00 0.00 O ATOM 1607 CB GLU A 102 -14.073 9.915 2.106 1.00 0.00 C ATOM 1608 CG GLU A 102 -15.315 10.473 2.806 1.00 0.00 C ATOM 1609 CD GLU A 102 -15.671 11.840 2.213 1.00 0.00 C ATOM 1610 OE1 GLU A 102 -14.913 12.320 1.388 1.00 0.00 O ATOM 1611 OE2 GLU A 102 -16.700 12.379 2.590 1.00 0.00 O ATOM 0 H GLU A 102 -12.615 7.860 0.947 1.00 0.00 H new ATOM 0 HA GLU A 102 -13.673 8.499 3.686 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -13.213 10.555 2.305 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -14.224 9.910 1.026 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -16.152 9.785 2.686 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -15.130 10.567 3.876 1.00 0.00 H new ATOM 1619 N VAL A 103 -15.669 7.039 3.168 1.00 0.00 N ATOM 1620 CA VAL A 103 -16.818 6.166 2.808 1.00 0.00 C ATOM 1621 C VAL A 103 -18.011 7.041 2.420 1.00 0.00 C ATOM 1622 O VAL A 103 -18.350 7.997 3.091 1.00 0.00 O ATOM 1623 CB VAL A 103 -17.157 5.245 3.979 1.00 0.00 C ATOM 1624 CG1 VAL A 103 -15.878 4.570 4.449 1.00 0.00 C ATOM 1625 CG2 VAL A 103 -17.737 6.045 5.140 1.00 0.00 C ATOM 0 H VAL A 103 -15.499 7.154 4.167 1.00 0.00 H new ATOM 0 HA VAL A 103 -16.559 5.538 1.956 1.00 0.00 H new ATOM 0 HB VAL A 103 -17.892 4.509 3.652 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -16.102 3.908 5.286 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -15.451 3.989 3.631 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -15.162 5.328 4.768 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -17.972 5.372 5.964 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -17.008 6.785 5.472 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -18.646 6.551 4.815 1.00 0.00 H new ATOM 1635 N LYS A 104 -18.618 6.736 1.314 1.00 0.00 N ATOM 1636 CA LYS A 104 -19.766 7.545 0.815 1.00 0.00 C ATOM 1637 C LYS A 104 -20.896 7.594 1.844 1.00 0.00 C ATOM 1638 O LYS A 104 -21.530 8.613 2.030 1.00 0.00 O ATOM 1639 CB LYS A 104 -20.304 6.868 -0.438 1.00 0.00 C ATOM 1640 CG LYS A 104 -19.187 6.747 -1.472 1.00 0.00 C ATOM 1641 CD LYS A 104 -19.682 5.904 -2.643 1.00 0.00 C ATOM 1642 CE LYS A 104 -18.516 5.610 -3.588 1.00 0.00 C ATOM 1643 NZ LYS A 104 -18.828 6.155 -4.938 1.00 0.00 N ATOM 0 H LYS A 104 -18.365 5.946 0.721 1.00 0.00 H new ATOM 0 HA LYS A 104 -19.423 8.561 0.619 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -20.694 5.881 -0.191 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -21.133 7.445 -0.848 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -18.888 7.736 -1.820 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -18.307 6.287 -1.023 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -20.112 4.971 -2.278 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -20.472 6.432 -3.177 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -17.600 6.059 -3.205 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -18.343 4.535 -3.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -18.037 5.957 -5.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -19.693 5.706 -5.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -18.972 7.183 -4.873 1.00 0.00 H new ATOM 1657 N ASP A 105 -21.178 6.495 2.484 1.00 0.00 N ATOM 1658 CA ASP A 105 -22.304 6.482 3.465 1.00 0.00 C ATOM 1659 C ASP A 105 -21.791 6.624 4.891 1.00 0.00 C ATOM 1660 O ASP A 105 -20.800 6.042 5.270 1.00 0.00 O ATOM 1661 CB ASP A 105 -23.067 5.163 3.347 1.00 0.00 C ATOM 1662 CG ASP A 105 -24.474 5.431 2.816 1.00 0.00 C ATOM 1663 OD1 ASP A 105 -25.079 6.397 3.255 1.00 0.00 O ATOM 1664 OD2 ASP A 105 -24.926 4.669 1.978 1.00 0.00 O ATOM 0 H ASP A 105 -20.683 5.610 2.374 1.00 0.00 H new ATOM 0 HA ASP A 105 -22.959 7.324 3.241 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -22.538 4.484 2.678 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -23.121 4.674 4.320 1.00 0.00 H new ATOM 1670 N TYR A 106 -22.488 7.375 5.695 1.00 0.00 N ATOM 1671 CA TYR A 106 -22.074 7.535 7.116 1.00 0.00 C ATOM 1672 C TYR A 106 -22.383 6.237 7.839 1.00 0.00 C ATOM 1673 O TYR A 106 -21.563 5.668 8.534 1.00 0.00 O ATOM 1674 CB TYR A 106 -22.904 8.643 7.747 1.00 0.00 C ATOM 1675 CG TYR A 106 -23.768 9.267 6.686 1.00 0.00 C ATOM 1676 CD1 TYR A 106 -23.191 10.076 5.702 1.00 0.00 C ATOM 1677 CD2 TYR A 106 -25.149 9.029 6.679 1.00 0.00 C ATOM 1678 CE1 TYR A 106 -23.994 10.650 4.710 1.00 0.00 C ATOM 1679 CE2 TYR A 106 -25.951 9.604 5.686 1.00 0.00 C ATOM 1680 CZ TYR A 106 -25.372 10.416 4.701 1.00 0.00 C ATOM 1681 OH TYR A 106 -26.162 10.985 3.722 1.00 0.00 O ATOM 0 H TYR A 106 -23.329 7.887 5.429 1.00 0.00 H new ATOM 0 HA TYR A 106 -21.013 7.777 7.181 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -23.523 8.241 8.549 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -22.253 9.395 8.193 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -22.126 10.258 5.708 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -25.594 8.403 7.438 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -23.548 11.275 3.950 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -27.016 9.422 5.679 1.00 0.00 H new ATOM 0 HH TYR A 106 -27.096 10.721 3.860 1.00 0.00 H new ATOM 1691 N ASP A 107 -23.570 5.761 7.637 1.00 0.00 N ATOM 1692 CA ASP A 107 -23.985 4.483 8.258 1.00 0.00 C ATOM 1693 C ASP A 107 -23.546 3.359 7.331 1.00 0.00 C ATOM 1694 O ASP A 107 -24.007 2.239 7.424 1.00 0.00 O ATOM 1695 CB ASP A 107 -25.504 4.465 8.426 1.00 0.00 C ATOM 1696 CG ASP A 107 -25.913 5.504 9.475 1.00 0.00 C ATOM 1697 OD1 ASP A 107 -25.038 5.997 10.166 1.00 0.00 O ATOM 1698 OD2 ASP A 107 -27.096 5.788 9.566 1.00 0.00 O ATOM 0 H ASP A 107 -24.281 6.209 7.060 1.00 0.00 H new ATOM 0 HA ASP A 107 -23.530 4.362 9.241 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -25.989 4.683 7.474 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -25.835 3.473 8.733 1.00 0.00 H new ATOM 1704 N VAL A 108 -22.649 3.662 6.428 1.00 0.00 N ATOM 1705 CA VAL A 108 -22.164 2.626 5.482 1.00 0.00 C ATOM 1706 C VAL A 108 -22.008 1.320 6.258 1.00 0.00 C ATOM 1707 O VAL A 108 -21.655 1.321 7.420 1.00 0.00 O ATOM 1708 CB VAL A 108 -20.815 3.066 4.907 1.00 0.00 C ATOM 1709 CG1 VAL A 108 -19.885 3.456 6.051 1.00 0.00 C ATOM 1710 CG2 VAL A 108 -20.188 1.918 4.114 1.00 0.00 C ATOM 0 H VAL A 108 -22.234 4.586 6.309 1.00 0.00 H new ATOM 0 HA VAL A 108 -22.865 2.487 4.659 1.00 0.00 H new ATOM 0 HB VAL A 108 -20.966 3.919 4.245 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -18.923 3.770 5.647 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -20.327 4.277 6.615 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -19.740 2.600 6.710 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -19.228 2.238 3.708 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -20.036 1.062 4.771 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -20.852 1.635 3.297 1.00 0.00 H new ATOM 1720 N GLU A 109 -22.295 0.212 5.643 1.00 0.00 N ATOM 1721 CA GLU A 109 -22.187 -1.076 6.365 1.00 0.00 C ATOM 1722 C GLU A 109 -20.743 -1.336 6.772 1.00 0.00 C ATOM 1723 O GLU A 109 -19.803 -0.988 6.085 1.00 0.00 O ATOM 1724 CB GLU A 109 -22.683 -2.210 5.474 1.00 0.00 C ATOM 1725 CG GLU A 109 -21.517 -3.111 5.068 1.00 0.00 C ATOM 1726 CD GLU A 109 -21.984 -4.094 3.995 1.00 0.00 C ATOM 1727 OE1 GLU A 109 -22.775 -4.964 4.319 1.00 0.00 O ATOM 1728 OE2 GLU A 109 -21.547 -3.956 2.865 1.00 0.00 O ATOM 0 H GLU A 109 -22.599 0.144 4.672 1.00 0.00 H new ATOM 0 HA GLU A 109 -22.802 -1.026 7.264 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -23.437 -2.794 6.002 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -23.162 -1.801 4.585 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -20.692 -2.508 4.690 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -21.143 -3.654 5.936 1.00 0.00 H new ATOM 1736 N ILE A 110 -20.578 -1.968 7.885 1.00 0.00 N ATOM 1737 CA ILE A 110 -19.215 -2.297 8.378 1.00 0.00 C ATOM 1738 C ILE A 110 -19.099 -3.810 8.552 1.00 0.00 C ATOM 1739 O ILE A 110 -19.767 -4.398 9.378 1.00 0.00 O ATOM 1740 CB ILE A 110 -18.977 -1.594 9.711 1.00 0.00 C ATOM 1741 CG1 ILE A 110 -18.848 -0.085 9.479 1.00 0.00 C ATOM 1742 CG2 ILE A 110 -17.705 -2.131 10.351 1.00 0.00 C ATOM 1743 CD1 ILE A 110 -17.686 0.201 8.521 1.00 0.00 C ATOM 0 H ILE A 110 -21.339 -2.279 8.489 1.00 0.00 H new ATOM 0 HA ILE A 110 -18.466 -1.960 7.661 1.00 0.00 H new ATOM 0 HB ILE A 110 -19.819 -1.783 10.377 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -19.777 0.308 9.065 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -18.681 0.424 10.428 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -17.536 -1.628 11.303 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -17.807 -3.203 10.520 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -16.859 -1.947 9.689 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -17.602 1.276 8.362 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -16.758 -0.176 8.952 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -17.871 -0.294 7.567 1.00 0.00 H new ATOM 1755 N ARG A 111 -18.256 -4.446 7.785 1.00 0.00 N ATOM 1756 CA ARG A 111 -18.101 -5.918 7.915 1.00 0.00 C ATOM 1757 C ARG A 111 -16.757 -6.213 8.559 1.00 0.00 C ATOM 1758 O ARG A 111 -15.709 -5.936 8.012 1.00 0.00 O ATOM 1759 CB ARG A 111 -18.181 -6.568 6.534 1.00 0.00 C ATOM 1760 CG ARG A 111 -19.615 -6.458 6.028 1.00 0.00 C ATOM 1761 CD ARG A 111 -19.705 -6.979 4.594 1.00 0.00 C ATOM 1762 NE ARG A 111 -21.099 -6.817 4.097 1.00 0.00 N ATOM 1763 CZ ARG A 111 -21.964 -7.782 4.259 1.00 0.00 C ATOM 1764 NH1 ARG A 111 -21.621 -8.863 4.905 1.00 0.00 N ATOM 1765 NH2 ARG A 111 -23.170 -7.661 3.778 1.00 0.00 N ATOM 0 H ARG A 111 -17.669 -4.008 7.075 1.00 0.00 H new ATOM 0 HA ARG A 111 -18.899 -6.325 8.536 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -17.497 -6.075 5.843 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -17.878 -7.614 6.590 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -20.282 -7.029 6.674 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -19.945 -5.420 6.068 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -19.013 -6.433 3.953 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -19.414 -8.029 4.558 1.00 0.00 H new ATOM 0 HE ARG A 111 -21.378 -5.954 3.631 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -20.678 -8.954 5.283 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -22.296 -9.617 5.032 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -23.436 -6.814 3.276 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -23.847 -8.414 3.903 1.00 0.00 H new ATOM 1779 N LEU A 112 -16.788 -6.756 9.734 1.00 0.00 N ATOM 1780 CA LEU A 112 -15.519 -7.053 10.446 1.00 0.00 C ATOM 1781 C LEU A 112 -15.177 -8.532 10.301 1.00 0.00 C ATOM 1782 O LEU A 112 -16.036 -9.389 10.372 1.00 0.00 O ATOM 1783 CB LEU A 112 -15.686 -6.717 11.926 1.00 0.00 C ATOM 1784 CG LEU A 112 -16.390 -5.364 12.076 1.00 0.00 C ATOM 1785 CD1 LEU A 112 -16.274 -4.886 13.523 1.00 0.00 C ATOM 1786 CD2 LEU A 112 -15.747 -4.329 11.147 1.00 0.00 C ATOM 0 H LEU A 112 -17.639 -7.009 10.237 1.00 0.00 H new ATOM 0 HA LEU A 112 -14.715 -6.455 10.017 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -16.266 -7.496 12.422 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -14.712 -6.686 12.413 1.00 0.00 H new ATOM 0 HG LEU A 112 -17.440 -5.480 11.809 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -16.775 -3.924 13.630 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -16.742 -5.614 14.185 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -15.222 -4.779 13.788 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -16.255 -3.372 11.262 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -14.694 -4.214 11.404 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -15.834 -4.664 10.113 1.00 0.00 H new ATOM 1798 N SER A 113 -13.926 -8.838 10.114 1.00 0.00 N ATOM 1799 CA SER A 113 -13.523 -10.262 9.978 1.00 0.00 C ATOM 1800 C SER A 113 -13.325 -10.855 11.372 1.00 0.00 C ATOM 1801 O SER A 113 -13.304 -10.145 12.360 1.00 0.00 O ATOM 1802 CB SER A 113 -12.215 -10.347 9.195 1.00 0.00 C ATOM 1803 OG SER A 113 -11.156 -9.839 9.996 1.00 0.00 O ATOM 0 H SER A 113 -13.164 -8.163 10.049 1.00 0.00 H new ATOM 0 HA SER A 113 -14.296 -10.818 9.447 1.00 0.00 H new ATOM 0 HB2 SER A 113 -12.011 -11.381 8.915 1.00 0.00 H new ATOM 0 HB3 SER A 113 -12.293 -9.776 8.270 1.00 0.00 H new ATOM 0 HG SER A 113 -10.314 -9.893 9.498 1.00 0.00 H new ATOM 1809 N HIS A 114 -13.177 -12.148 11.469 1.00 0.00 N ATOM 1810 CA HIS A 114 -12.981 -12.773 12.809 1.00 0.00 C ATOM 1811 C HIS A 114 -11.913 -11.990 13.577 1.00 0.00 C ATOM 1812 O HIS A 114 -11.969 -11.863 14.785 1.00 0.00 O ATOM 1813 CB HIS A 114 -12.512 -14.220 12.633 1.00 0.00 C ATOM 1814 CG HIS A 114 -13.530 -14.993 11.835 1.00 0.00 C ATOM 1815 ND1 HIS A 114 -14.757 -15.375 12.364 1.00 0.00 N ATOM 1816 CD2 HIS A 114 -13.515 -15.467 10.546 1.00 0.00 C ATOM 1817 CE1 HIS A 114 -15.420 -16.049 11.405 1.00 0.00 C ATOM 1818 NE2 HIS A 114 -14.706 -16.131 10.281 1.00 0.00 N ATOM 0 H HIS A 114 -13.183 -12.797 10.682 1.00 0.00 H new ATOM 0 HA HIS A 114 -13.921 -12.757 13.360 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -11.547 -14.240 12.126 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -12.370 -14.687 13.608 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -12.702 -15.343 9.846 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -16.406 -16.470 11.530 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -14.978 -16.586 9.410 1.00 0.00 H new ATOM 1827 N GLU A 115 -10.939 -11.466 12.885 1.00 0.00 N ATOM 1828 CA GLU A 115 -9.861 -10.692 13.567 1.00 0.00 C ATOM 1829 C GLU A 115 -10.451 -9.455 14.246 1.00 0.00 C ATOM 1830 O GLU A 115 -9.980 -9.023 15.279 1.00 0.00 O ATOM 1831 CB GLU A 115 -8.822 -10.253 12.535 1.00 0.00 C ATOM 1832 CG GLU A 115 -8.109 -11.482 11.969 1.00 0.00 C ATOM 1833 CD GLU A 115 -7.046 -11.032 10.964 1.00 0.00 C ATOM 1834 OE1 GLU A 115 -6.227 -11.855 10.587 1.00 0.00 O ATOM 1835 OE2 GLU A 115 -7.073 -9.872 10.586 1.00 0.00 O ATOM 0 H GLU A 115 -10.842 -11.540 11.872 1.00 0.00 H new ATOM 0 HA GLU A 115 -9.392 -11.324 14.321 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -9.305 -9.698 11.731 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -8.098 -9.581 12.996 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -7.646 -12.051 12.775 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -8.828 -12.143 11.484 1.00 0.00 H new ATOM 1843 N HIS A 116 -11.475 -8.879 13.676 1.00 0.00 N ATOM 1844 CA HIS A 116 -12.083 -7.670 14.296 1.00 0.00 C ATOM 1845 C HIS A 116 -13.503 -7.997 14.762 1.00 0.00 C ATOM 1846 O HIS A 116 -14.250 -8.673 14.080 1.00 0.00 O ATOM 1847 CB HIS A 116 -12.126 -6.537 13.267 1.00 0.00 C ATOM 1848 CG HIS A 116 -10.728 -6.081 12.958 1.00 0.00 C ATOM 1849 ND1 HIS A 116 -9.896 -5.532 13.925 1.00 0.00 N ATOM 1850 CD2 HIS A 116 -10.005 -6.069 11.790 1.00 0.00 C ATOM 1851 CE1 HIS A 116 -8.731 -5.218 13.326 1.00 0.00 C ATOM 1852 NE2 HIS A 116 -8.748 -5.525 12.029 1.00 0.00 N ATOM 0 H HIS A 116 -11.915 -9.193 12.811 1.00 0.00 H new ATOM 0 HA HIS A 116 -11.485 -7.358 15.152 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -12.617 -6.879 12.356 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -12.714 -5.704 13.653 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -10.358 -6.427 10.834 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -7.888 -4.773 13.834 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -7.996 -5.389 11.353 1.00 0.00 H new ATOM 1861 N GLN A 117 -13.882 -7.534 15.925 1.00 0.00 N ATOM 1862 CA GLN A 117 -15.249 -7.832 16.435 1.00 0.00 C ATOM 1863 C GLN A 117 -16.081 -6.549 16.505 1.00 0.00 C ATOM 1864 O GLN A 117 -17.290 -6.580 16.375 1.00 0.00 O ATOM 1865 CB GLN A 117 -15.149 -8.450 17.834 1.00 0.00 C ATOM 1866 CG GLN A 117 -14.625 -7.404 18.818 1.00 0.00 C ATOM 1867 CD GLN A 117 -14.350 -8.065 20.169 1.00 0.00 C ATOM 1868 OE1 GLN A 117 -13.889 -9.186 20.230 1.00 0.00 O ATOM 1869 NE2 GLN A 117 -14.612 -7.407 21.267 1.00 0.00 N ATOM 0 H GLN A 117 -13.303 -6.963 16.541 1.00 0.00 H new ATOM 0 HA GLN A 117 -15.734 -8.533 15.755 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -16.127 -8.809 18.155 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -14.483 -9.313 17.815 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -13.713 -6.950 18.431 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -15.354 -6.603 18.935 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -14.999 -6.465 21.217 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -14.429 -7.836 22.174 1.00 0.00 H new ATOM 1878 N ALA A 118 -15.459 -5.422 16.715 1.00 0.00 N ATOM 1879 CA ALA A 118 -16.242 -4.153 16.798 1.00 0.00 C ATOM 1880 C ALA A 118 -15.431 -2.996 16.216 1.00 0.00 C ATOM 1881 O ALA A 118 -14.223 -3.039 16.150 1.00 0.00 O ATOM 1882 CB ALA A 118 -16.578 -3.859 18.261 1.00 0.00 C ATOM 0 H ALA A 118 -14.451 -5.323 16.832 1.00 0.00 H new ATOM 0 HA ALA A 118 -17.163 -4.263 16.225 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -17.150 -2.933 18.324 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -17.169 -4.679 18.670 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -15.656 -3.756 18.832 1.00 0.00 H new ATOM 1888 N TYR A 119 -16.097 -1.958 15.793 1.00 0.00 N ATOM 1889 CA TYR A 119 -15.379 -0.789 15.207 1.00 0.00 C ATOM 1890 C TYR A 119 -15.966 0.508 15.773 1.00 0.00 C ATOM 1891 O TYR A 119 -17.064 0.525 16.291 1.00 0.00 O ATOM 1892 CB TYR A 119 -15.567 -0.802 13.694 1.00 0.00 C ATOM 1893 CG TYR A 119 -17.018 -0.535 13.382 1.00 0.00 C ATOM 1894 CD1 TYR A 119 -17.939 -1.589 13.407 1.00 0.00 C ATOM 1895 CD2 TYR A 119 -17.447 0.760 13.072 1.00 0.00 C ATOM 1896 CE1 TYR A 119 -19.288 -1.350 13.123 1.00 0.00 C ATOM 1897 CE2 TYR A 119 -18.799 1.000 12.790 1.00 0.00 C ATOM 1898 CZ TYR A 119 -19.719 -0.056 12.816 1.00 0.00 C ATOM 1899 OH TYR A 119 -21.050 0.181 12.538 1.00 0.00 O ATOM 0 H TYR A 119 -17.112 -1.868 15.828 1.00 0.00 H new ATOM 0 HA TYR A 119 -14.319 -0.847 15.454 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -14.936 -0.045 13.229 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -15.264 -1.766 13.284 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -17.608 -2.589 13.646 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -16.737 1.574 13.050 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -19.996 -2.165 13.141 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -19.132 2.000 12.553 1.00 0.00 H new ATOM 0 HH TYR A 119 -21.180 1.133 12.346 1.00 0.00 H new ATOM 1909 N ARG A 120 -15.248 1.595 15.674 1.00 0.00 N ATOM 1910 CA ARG A 120 -15.782 2.881 16.204 1.00 0.00 C ATOM 1911 C ARG A 120 -15.473 4.028 15.246 1.00 0.00 C ATOM 1912 O ARG A 120 -14.491 4.017 14.532 1.00 0.00 O ATOM 1913 CB ARG A 120 -15.141 3.196 17.554 1.00 0.00 C ATOM 1914 CG ARG A 120 -15.610 2.188 18.598 1.00 0.00 C ATOM 1915 CD ARG A 120 -15.086 2.605 19.973 1.00 0.00 C ATOM 1916 NE ARG A 120 -15.446 1.565 20.973 1.00 0.00 N ATOM 1917 CZ ARG A 120 -15.235 1.776 22.243 1.00 0.00 C ATOM 1918 NH1 ARG A 120 -14.695 2.898 22.643 1.00 0.00 N ATOM 1919 NH2 ARG A 120 -15.565 0.865 23.116 1.00 0.00 N ATOM 0 H ARG A 120 -14.321 1.647 15.252 1.00 0.00 H new ATOM 0 HA ARG A 120 -16.861 2.777 16.314 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -14.055 3.164 17.467 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -15.407 4.206 17.866 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -16.699 2.140 18.610 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -15.249 1.191 18.346 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -14.004 2.734 19.939 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -15.512 3.566 20.261 1.00 0.00 H new ATOM 0 HE ARG A 120 -15.859 0.685 20.665 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -14.437 3.612 21.961 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -14.532 3.060 23.637 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -15.987 -0.010 22.805 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -15.401 1.028 24.110 1.00 0.00 H new ATOM 1933 N TRP A 121 -16.297 5.038 15.258 1.00 0.00 N ATOM 1934 CA TRP A 121 -16.053 6.219 14.391 1.00 0.00 C ATOM 1935 C TRP A 121 -15.692 7.390 15.300 1.00 0.00 C ATOM 1936 O TRP A 121 -16.528 7.909 16.017 1.00 0.00 O ATOM 1937 CB TRP A 121 -17.318 6.534 13.592 1.00 0.00 C ATOM 1938 CG TRP A 121 -17.394 5.615 12.418 1.00 0.00 C ATOM 1939 CD1 TRP A 121 -18.086 4.451 12.379 1.00 0.00 C ATOM 1940 CD2 TRP A 121 -16.762 5.760 11.117 1.00 0.00 C ATOM 1941 NE1 TRP A 121 -17.921 3.876 11.131 1.00 0.00 N ATOM 1942 CE2 TRP A 121 -17.114 4.647 10.318 1.00 0.00 C ATOM 1943 CE3 TRP A 121 -15.930 6.744 10.558 1.00 0.00 C ATOM 1944 CZ2 TRP A 121 -16.652 4.516 9.007 1.00 0.00 C ATOM 1945 CZ3 TRP A 121 -15.464 6.616 9.242 1.00 0.00 C ATOM 1946 CH2 TRP A 121 -15.827 5.505 8.468 1.00 0.00 C ATOM 0 H TRP A 121 -17.135 5.094 15.837 1.00 0.00 H new ATOM 0 HA TRP A 121 -15.243 6.028 13.687 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -18.200 6.414 14.221 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -17.303 7.571 13.258 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -18.670 4.039 13.189 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -18.343 2.992 10.847 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -15.647 7.605 11.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -16.930 3.657 8.415 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 -14.822 7.377 8.823 1.00 0.00 H new ATOM 0 HH2 TRP A 121 -15.468 5.414 7.453 1.00 0.00 H new ATOM 1957 N LEU A 122 -14.450 7.792 15.311 1.00 0.00 N ATOM 1958 CA LEU A 122 -14.042 8.904 16.216 1.00 0.00 C ATOM 1959 C LEU A 122 -13.272 9.971 15.437 1.00 0.00 C ATOM 1960 O LEU A 122 -12.963 9.808 14.273 1.00 0.00 O ATOM 1961 CB LEU A 122 -13.141 8.359 17.332 1.00 0.00 C ATOM 1962 CG LEU A 122 -13.462 6.883 17.610 1.00 0.00 C ATOM 1963 CD1 LEU A 122 -12.312 6.004 17.110 1.00 0.00 C ATOM 1964 CD2 LEU A 122 -13.645 6.679 19.118 1.00 0.00 C ATOM 0 H LEU A 122 -13.704 7.401 14.736 1.00 0.00 H new ATOM 0 HA LEU A 122 -14.941 9.348 16.644 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -12.094 8.462 17.045 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -13.282 8.945 18.240 1.00 0.00 H new ATOM 0 HG LEU A 122 -14.379 6.606 17.090 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -12.542 4.957 17.308 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -12.182 6.150 16.038 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -11.393 6.278 17.628 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -13.873 5.632 19.319 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -12.727 6.956 19.637 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -14.465 7.303 19.473 1.00 0.00 H new ATOM 1976 N GLY A 123 -12.958 11.063 16.083 1.00 0.00 N ATOM 1977 CA GLY A 123 -12.203 12.148 15.400 1.00 0.00 C ATOM 1978 C GLY A 123 -10.706 11.842 15.478 1.00 0.00 C ATOM 1979 O GLY A 123 -10.296 10.832 16.012 1.00 0.00 O ATOM 0 H GLY A 123 -13.194 11.248 17.058 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -12.517 12.227 14.359 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -12.416 13.108 15.871 1.00 0.00 H new ATOM 1983 N LEU A 124 -9.885 12.704 14.945 1.00 0.00 N ATOM 1984 CA LEU A 124 -8.417 12.451 14.989 1.00 0.00 C ATOM 1985 C LEU A 124 -7.951 12.307 16.440 1.00 0.00 C ATOM 1986 O LEU A 124 -7.113 11.490 16.752 1.00 0.00 O ATOM 1987 CB LEU A 124 -7.678 13.622 14.332 1.00 0.00 C ATOM 1988 CG LEU A 124 -6.163 13.403 14.429 1.00 0.00 C ATOM 1989 CD1 LEU A 124 -5.805 11.999 13.942 1.00 0.00 C ATOM 1990 CD2 LEU A 124 -5.446 14.435 13.553 1.00 0.00 C ATOM 0 H LEU A 124 -10.165 13.569 14.483 1.00 0.00 H new ATOM 0 HA LEU A 124 -8.199 11.528 14.451 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -7.975 13.711 13.287 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -7.951 14.557 14.822 1.00 0.00 H new ATOM 0 HG LEU A 124 -5.852 13.514 15.468 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -4.727 11.853 14.014 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -6.314 11.259 14.559 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -6.118 11.883 12.904 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -4.369 14.283 13.619 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -5.766 14.318 12.518 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -5.692 15.439 13.898 1.00 0.00 H new ATOM 2002 N GLU A 125 -8.483 13.104 17.327 1.00 0.00 N ATOM 2003 CA GLU A 125 -8.057 13.024 18.760 1.00 0.00 C ATOM 2004 C GLU A 125 -8.293 11.615 19.310 1.00 0.00 C ATOM 2005 O GLU A 125 -7.394 10.984 19.828 1.00 0.00 O ATOM 2006 CB GLU A 125 -8.867 14.031 19.584 1.00 0.00 C ATOM 2007 CG GLU A 125 -10.344 13.618 19.609 1.00 0.00 C ATOM 2008 CD GLU A 125 -11.171 14.724 20.267 1.00 0.00 C ATOM 2009 OE1 GLU A 125 -12.388 14.613 20.258 1.00 0.00 O ATOM 2010 OE2 GLU A 125 -10.574 15.663 20.768 1.00 0.00 O ATOM 0 H GLU A 125 -9.194 13.807 17.125 1.00 0.00 H new ATOM 0 HA GLU A 125 -6.994 13.255 18.826 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -8.477 14.079 20.601 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -8.767 15.028 19.156 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -10.700 13.438 18.595 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -10.462 12.684 20.159 1.00 0.00 H new ATOM 2018 N GLU A 126 -9.492 11.117 19.202 1.00 0.00 N ATOM 2019 CA GLU A 126 -9.780 9.752 19.716 1.00 0.00 C ATOM 2020 C GLU A 126 -9.104 8.733 18.807 1.00 0.00 C ATOM 2021 O GLU A 126 -8.413 7.843 19.257 1.00 0.00 O ATOM 2022 CB GLU A 126 -11.287 9.519 19.704 1.00 0.00 C ATOM 2023 CG GLU A 126 -11.858 9.683 21.114 1.00 0.00 C ATOM 2024 CD GLU A 126 -11.279 10.934 21.775 1.00 0.00 C ATOM 2025 OE1 GLU A 126 -11.912 11.971 21.684 1.00 0.00 O ATOM 2026 OE2 GLU A 126 -10.218 10.833 22.370 1.00 0.00 O ATOM 0 H GLU A 126 -10.286 11.598 18.779 1.00 0.00 H new ATOM 0 HA GLU A 126 -9.404 9.649 20.734 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -11.766 10.225 19.025 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -11.505 8.519 19.330 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -12.945 9.757 21.068 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -11.623 8.804 21.714 1.00 0.00 H new ATOM 2034 N ALA A 127 -9.276 8.864 17.527 1.00 0.00 N ATOM 2035 CA ALA A 127 -8.616 7.906 16.613 1.00 0.00 C ATOM 2036 C ALA A 127 -7.144 7.855 17.005 1.00 0.00 C ATOM 2037 O ALA A 127 -6.506 6.824 16.959 1.00 0.00 O ATOM 2038 CB ALA A 127 -8.762 8.395 15.174 1.00 0.00 C ATOM 0 H ALA A 127 -9.840 9.586 17.079 1.00 0.00 H new ATOM 0 HA ALA A 127 -9.065 6.916 16.685 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -8.276 7.690 14.499 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -9.820 8.470 14.921 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -8.295 9.375 15.073 1.00 0.00 H new ATOM 2044 N CYS A 128 -6.616 8.970 17.427 1.00 0.00 N ATOM 2045 CA CYS A 128 -5.199 9.014 17.862 1.00 0.00 C ATOM 2046 C CYS A 128 -5.089 8.373 19.246 1.00 0.00 C ATOM 2047 O CYS A 128 -4.149 7.659 19.542 1.00 0.00 O ATOM 2048 CB CYS A 128 -4.740 10.470 17.935 1.00 0.00 C ATOM 2049 SG CYS A 128 -4.061 10.967 16.333 1.00 0.00 S ATOM 0 H CYS A 128 -7.113 9.859 17.488 1.00 0.00 H new ATOM 0 HA CYS A 128 -4.572 8.473 17.153 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -5.578 11.114 18.203 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -3.986 10.587 18.714 1.00 0.00 H new ATOM 0 HG CYS A 128 -3.672 12.206 16.392 1.00 0.00 H new ATOM 2055 N GLN A 129 -6.048 8.622 20.098 1.00 0.00 N ATOM 2056 CA GLN A 129 -6.004 8.027 21.462 1.00 0.00 C ATOM 2057 C GLN A 129 -6.066 6.500 21.350 1.00 0.00 C ATOM 2058 O GLN A 129 -5.263 5.793 21.927 1.00 0.00 O ATOM 2059 CB GLN A 129 -7.180 8.562 22.296 1.00 0.00 C ATOM 2060 CG GLN A 129 -8.406 7.652 22.174 1.00 0.00 C ATOM 2061 CD GLN A 129 -8.263 6.438 23.099 1.00 0.00 C ATOM 2062 OE1 GLN A 129 -7.180 6.127 23.555 1.00 0.00 O ATOM 2063 NE2 GLN A 129 -9.324 5.735 23.398 1.00 0.00 N ATOM 0 H GLN A 129 -6.858 9.211 19.907 1.00 0.00 H new ATOM 0 HA GLN A 129 -5.075 8.304 21.960 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -6.883 8.637 23.342 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -7.436 9.568 21.964 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -9.307 8.209 22.430 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -8.519 7.320 21.142 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -10.233 5.996 23.016 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -9.243 4.926 24.014 1.00 0.00 H new ATOM 2072 N LEU A 130 -7.000 5.988 20.597 1.00 0.00 N ATOM 2073 CA LEU A 130 -7.103 4.507 20.430 1.00 0.00 C ATOM 2074 C LEU A 130 -5.884 4.010 19.665 1.00 0.00 C ATOM 2075 O LEU A 130 -5.233 3.060 20.056 1.00 0.00 O ATOM 2076 CB LEU A 130 -8.357 4.177 19.623 1.00 0.00 C ATOM 2077 CG LEU A 130 -9.603 4.563 20.413 1.00 0.00 C ATOM 2078 CD1 LEU A 130 -10.634 5.165 19.463 1.00 0.00 C ATOM 2079 CD2 LEU A 130 -10.196 3.319 21.073 1.00 0.00 C ATOM 0 H LEU A 130 -7.698 6.530 20.089 1.00 0.00 H new ATOM 0 HA LEU A 130 -7.155 4.029 21.408 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -8.339 4.711 18.673 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -8.380 3.112 19.390 1.00 0.00 H new ATOM 0 HG LEU A 130 -9.336 5.291 21.180 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -11.527 5.443 20.023 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -10.215 6.051 18.986 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -10.898 4.432 18.700 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -11.086 3.596 21.637 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -10.464 2.593 20.306 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -9.461 2.880 21.747 1.00 0.00 H new ATOM 2091 N ALA A 131 -5.557 4.659 18.584 1.00 0.00 N ATOM 2092 CA ALA A 131 -4.368 4.239 17.806 1.00 0.00 C ATOM 2093 C ALA A 131 -3.128 4.687 18.576 1.00 0.00 C ATOM 2094 O ALA A 131 -2.247 5.337 18.051 1.00 0.00 O ATOM 2095 CB ALA A 131 -4.398 4.891 16.424 1.00 0.00 C ATOM 0 H ALA A 131 -6.063 5.461 18.208 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.357 3.157 17.671 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -3.522 4.579 15.856 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -5.301 4.584 15.896 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.393 5.976 16.533 1.00 0.00 H new ATOM 2101 N GLN A 132 -3.077 4.343 19.837 1.00 0.00 N ATOM 2102 CA GLN A 132 -1.922 4.742 20.692 1.00 0.00 C ATOM 2103 C GLN A 132 -0.627 4.668 19.885 1.00 0.00 C ATOM 2104 O GLN A 132 0.259 5.485 20.041 1.00 0.00 O ATOM 2105 CB GLN A 132 -1.833 3.775 21.870 1.00 0.00 C ATOM 2106 CG GLN A 132 -2.086 2.355 21.367 1.00 0.00 C ATOM 2107 CD GLN A 132 -1.073 1.402 22.000 1.00 0.00 C ATOM 2108 OE1 GLN A 132 0.198 1.691 21.934 1.00 0.00 O flip ATOM 2109 NE2 GLN A 132 -1.441 0.388 22.562 1.00 0.00 N flip ATOM 0 H GLN A 132 -3.794 3.797 20.314 1.00 0.00 H new ATOM 0 HA GLN A 132 -2.063 5.763 21.047 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -0.850 3.840 22.337 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -2.566 4.041 22.632 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -3.100 2.044 21.618 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -2.003 2.322 20.281 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -2.435 0.165 22.612 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -0.756 -0.239 22.983 1.00 0.00 H new ATOM 2118 N PHE A 133 -0.507 3.700 19.025 1.00 0.00 N ATOM 2119 CA PHE A 133 0.737 3.589 18.220 1.00 0.00 C ATOM 2120 C PHE A 133 1.011 4.935 17.539 1.00 0.00 C ATOM 2121 O PHE A 133 0.179 5.471 16.830 1.00 0.00 O ATOM 2122 CB PHE A 133 0.564 2.492 17.166 1.00 0.00 C ATOM 2123 CG PHE A 133 0.020 1.228 17.806 1.00 0.00 C ATOM 2124 CD1 PHE A 133 0.329 0.910 19.136 1.00 0.00 C ATOM 2125 CD2 PHE A 133 -0.796 0.369 17.058 1.00 0.00 C ATOM 2126 CE1 PHE A 133 -0.175 -0.265 19.711 1.00 0.00 C ATOM 2127 CE2 PHE A 133 -1.300 -0.803 17.636 1.00 0.00 C ATOM 2128 CZ PHE A 133 -0.990 -1.120 18.962 1.00 0.00 C ATOM 0 H PHE A 133 -1.211 2.985 18.845 1.00 0.00 H new ATOM 0 HA PHE A 133 1.578 3.332 18.864 1.00 0.00 H new ATOM 0 HB2 PHE A 133 -0.115 2.833 16.384 1.00 0.00 H new ATOM 0 HB3 PHE A 133 1.521 2.283 16.688 1.00 0.00 H new ATOM 0 HD1 PHE A 133 0.955 1.570 19.718 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -1.037 0.611 16.033 1.00 0.00 H new ATOM 0 HE1 PHE A 133 0.067 -0.511 20.735 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -1.929 -1.463 17.057 1.00 0.00 H new ATOM 0 HZ PHE A 133 -1.379 -2.024 19.407 1.00 0.00 H new ATOM 2138 N LYS A 134 2.173 5.484 17.762 1.00 0.00 N ATOM 2139 CA LYS A 134 2.520 6.800 17.150 1.00 0.00 C ATOM 2140 C LYS A 134 2.415 6.723 15.626 1.00 0.00 C ATOM 2141 O LYS A 134 2.032 7.672 14.971 1.00 0.00 O ATOM 2142 CB LYS A 134 3.956 7.162 17.536 1.00 0.00 C ATOM 2143 CG LYS A 134 4.329 8.510 16.921 1.00 0.00 C ATOM 2144 CD LYS A 134 5.781 8.836 17.268 1.00 0.00 C ATOM 2145 CE LYS A 134 6.069 10.301 16.936 1.00 0.00 C ATOM 2146 NZ LYS A 134 5.298 11.181 17.856 1.00 0.00 N ATOM 0 H LYS A 134 2.903 5.075 18.346 1.00 0.00 H new ATOM 0 HA LYS A 134 1.826 7.558 17.514 1.00 0.00 H new ATOM 0 HB2 LYS A 134 4.051 7.207 18.621 1.00 0.00 H new ATOM 0 HB3 LYS A 134 4.642 6.390 17.188 1.00 0.00 H new ATOM 0 HG2 LYS A 134 4.199 8.478 15.839 1.00 0.00 H new ATOM 0 HG3 LYS A 134 3.668 9.291 17.298 1.00 0.00 H new ATOM 0 HD2 LYS A 134 5.964 8.649 18.326 1.00 0.00 H new ATOM 0 HD3 LYS A 134 6.454 8.186 16.709 1.00 0.00 H new ATOM 0 HE2 LYS A 134 7.136 10.503 17.032 1.00 0.00 H new ATOM 0 HE3 LYS A 134 5.796 10.511 15.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 5.785 12.095 17.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 4.344 11.335 17.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 5.225 10.729 18.790 1.00 0.00 H new ATOM 2160 N GLU A 135 2.774 5.608 15.059 1.00 0.00 N ATOM 2161 CA GLU A 135 2.721 5.472 13.575 1.00 0.00 C ATOM 2162 C GLU A 135 1.312 5.767 13.088 1.00 0.00 C ATOM 2163 O GLU A 135 1.109 6.433 12.091 1.00 0.00 O ATOM 2164 CB GLU A 135 3.053 4.031 13.202 1.00 0.00 C ATOM 2165 CG GLU A 135 4.275 3.576 13.994 1.00 0.00 C ATOM 2166 CD GLU A 135 4.647 2.153 13.576 1.00 0.00 C ATOM 2167 OE1 GLU A 135 3.879 1.555 12.845 1.00 0.00 O ATOM 2168 OE2 GLU A 135 5.696 1.687 13.997 1.00 0.00 O ATOM 0 H GLU A 135 3.103 4.782 15.558 1.00 0.00 H new ATOM 0 HA GLU A 135 3.430 6.166 13.123 1.00 0.00 H new ATOM 0 HB2 GLU A 135 2.204 3.382 13.417 1.00 0.00 H new ATOM 0 HB3 GLU A 135 3.249 3.956 12.132 1.00 0.00 H new ATOM 0 HG2 GLU A 135 5.112 4.251 13.813 1.00 0.00 H new ATOM 0 HG3 GLU A 135 4.063 3.610 15.063 1.00 0.00 H new ATOM 2176 N MET A 136 0.337 5.262 13.779 1.00 0.00 N ATOM 2177 CA MET A 136 -1.062 5.485 13.359 1.00 0.00 C ATOM 2178 C MET A 136 -1.499 6.887 13.765 1.00 0.00 C ATOM 2179 O MET A 136 -2.045 7.627 12.968 1.00 0.00 O ATOM 2180 CB MET A 136 -1.932 4.432 14.033 1.00 0.00 C ATOM 2181 CG MET A 136 -1.349 3.048 13.729 1.00 0.00 C ATOM 2182 SD MET A 136 -1.060 2.882 11.951 1.00 0.00 S ATOM 2183 CE MET A 136 -2.700 3.400 11.385 1.00 0.00 C ATOM 0 H MET A 136 0.452 4.700 14.623 1.00 0.00 H new ATOM 0 HA MET A 136 -1.159 5.400 12.277 1.00 0.00 H new ATOM 0 HB2 MET A 136 -1.964 4.601 15.109 1.00 0.00 H new ATOM 0 HB3 MET A 136 -2.957 4.499 13.669 1.00 0.00 H new ATOM 0 HG2 MET A 136 -0.415 2.909 14.273 1.00 0.00 H new ATOM 0 HG3 MET A 136 -2.034 2.272 14.069 1.00 0.00 H new ATOM 0 HE1 MET A 136 -2.929 2.913 10.437 1.00 0.00 H new ATOM 0 HE2 MET A 136 -3.447 3.118 12.127 1.00 0.00 H new ATOM 0 HE3 MET A 136 -2.713 4.481 11.249 1.00 0.00 H new ATOM 2193 N LYS A 137 -1.238 7.281 14.978 1.00 0.00 N ATOM 2194 CA LYS A 137 -1.619 8.656 15.377 1.00 0.00 C ATOM 2195 C LYS A 137 -0.976 9.595 14.369 1.00 0.00 C ATOM 2196 O LYS A 137 -1.530 10.615 14.013 1.00 0.00 O ATOM 2197 CB LYS A 137 -1.115 8.947 16.787 1.00 0.00 C ATOM 2198 CG LYS A 137 -2.050 8.265 17.786 1.00 0.00 C ATOM 2199 CD LYS A 137 -1.239 7.572 18.874 1.00 0.00 C ATOM 2200 CE LYS A 137 -0.515 8.604 19.741 1.00 0.00 C ATOM 2201 NZ LYS A 137 -0.608 9.954 19.118 1.00 0.00 N ATOM 0 H LYS A 137 -0.785 6.719 15.698 1.00 0.00 H new ATOM 0 HA LYS A 137 -2.701 8.784 15.386 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -0.096 8.579 16.909 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -1.089 10.022 16.966 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -2.717 9.002 18.233 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -2.678 7.538 17.271 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -1.897 6.964 19.495 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -0.514 6.896 18.421 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -0.954 8.624 20.738 1.00 0.00 H new ATOM 0 HE3 LYS A 137 0.531 8.321 19.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -0.249 10.669 19.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -0.039 9.975 18.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -1.601 10.163 18.888 1.00 0.00 H new ATOM 2215 N ALA A 138 0.178 9.218 13.880 1.00 0.00 N ATOM 2216 CA ALA A 138 0.870 10.037 12.851 1.00 0.00 C ATOM 2217 C ALA A 138 0.173 9.810 11.506 1.00 0.00 C ATOM 2218 O ALA A 138 -0.151 10.739 10.794 1.00 0.00 O ATOM 2219 CB ALA A 138 2.331 9.612 12.747 1.00 0.00 C ATOM 0 H ALA A 138 0.671 8.369 14.155 1.00 0.00 H new ATOM 0 HA ALA A 138 0.830 11.091 13.125 1.00 0.00 H new ATOM 0 HB1 ALA A 138 2.833 10.216 11.991 1.00 0.00 H new ATOM 0 HB2 ALA A 138 2.821 9.755 13.710 1.00 0.00 H new ATOM 0 HB3 ALA A 138 2.385 8.560 12.465 1.00 0.00 H new ATOM 2225 N ALA A 139 -0.075 8.568 11.162 1.00 0.00 N ATOM 2226 CA ALA A 139 -0.767 8.278 9.874 1.00 0.00 C ATOM 2227 C ALA A 139 -2.118 8.981 9.899 1.00 0.00 C ATOM 2228 O ALA A 139 -2.496 9.674 8.974 1.00 0.00 O ATOM 2229 CB ALA A 139 -0.983 6.770 9.741 1.00 0.00 C ATOM 0 H ALA A 139 0.172 7.749 11.717 1.00 0.00 H new ATOM 0 HA ALA A 139 -0.169 8.628 9.033 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.489 6.557 8.799 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -0.019 6.261 9.758 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -1.595 6.416 10.570 1.00 0.00 H new ATOM 2235 N LEU A 140 -2.834 8.831 10.975 1.00 0.00 N ATOM 2236 CA LEU A 140 -4.146 9.507 11.100 1.00 0.00 C ATOM 2237 C LEU A 140 -3.887 11.014 11.195 1.00 0.00 C ATOM 2238 O LEU A 140 -4.721 11.827 10.850 1.00 0.00 O ATOM 2239 CB LEU A 140 -4.847 9.025 12.376 1.00 0.00 C ATOM 2240 CG LEU A 140 -4.932 7.493 12.376 1.00 0.00 C ATOM 2241 CD1 LEU A 140 -4.829 6.970 13.811 1.00 0.00 C ATOM 2242 CD2 LEU A 140 -6.272 7.053 11.784 1.00 0.00 C ATOM 0 H LEU A 140 -2.562 8.264 11.778 1.00 0.00 H new ATOM 0 HA LEU A 140 -4.779 9.281 10.242 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -4.300 9.368 13.254 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -5.847 9.454 12.436 1.00 0.00 H new ATOM 0 HG LEU A 140 -4.114 7.092 11.778 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -4.890 5.882 13.807 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -3.877 7.279 14.243 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -5.647 7.377 14.406 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -6.330 5.965 11.785 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -7.086 7.461 12.384 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -6.356 7.420 10.761 1.00 0.00 H new ATOM 2254 N GLN A 141 -2.729 11.379 11.690 1.00 0.00 N ATOM 2255 CA GLN A 141 -2.384 12.822 11.848 1.00 0.00 C ATOM 2256 C GLN A 141 -2.012 13.455 10.507 1.00 0.00 C ATOM 2257 O GLN A 141 -2.545 14.478 10.129 1.00 0.00 O ATOM 2258 CB GLN A 141 -1.176 12.935 12.778 1.00 0.00 C ATOM 2259 CG GLN A 141 -1.610 13.447 14.149 1.00 0.00 C ATOM 2260 CD GLN A 141 -1.701 14.970 14.107 1.00 0.00 C ATOM 2261 OE1 GLN A 141 -2.437 15.539 13.192 1.00 0.00 O flip ATOM 2262 NE2 GLN A 141 -1.088 15.651 14.906 1.00 0.00 N flip ATOM 0 H GLN A 141 -2.003 10.730 11.994 1.00 0.00 H new ATOM 0 HA GLN A 141 -3.253 13.341 12.254 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -0.695 11.962 12.881 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -0.438 13.611 12.346 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -2.575 13.020 14.422 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -0.896 13.134 14.911 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -0.513 15.205 15.621 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -1.149 16.668 14.862 1.00 0.00 H new ATOM 2271 N GLU A 142 -1.090 12.871 9.792 1.00 0.00 N ATOM 2272 CA GLU A 142 -0.681 13.466 8.493 1.00 0.00 C ATOM 2273 C GLU A 142 -1.849 13.392 7.511 1.00 0.00 C ATOM 2274 O GLU A 142 -2.052 14.280 6.705 1.00 0.00 O ATOM 2275 CB GLU A 142 0.525 12.709 7.934 1.00 0.00 C ATOM 2276 CG GLU A 142 1.711 12.879 8.886 1.00 0.00 C ATOM 2277 CD GLU A 142 2.937 12.170 8.308 1.00 0.00 C ATOM 2278 OE1 GLU A 142 4.027 12.418 8.800 1.00 0.00 O ATOM 2279 OE2 GLU A 142 2.765 11.387 7.390 1.00 0.00 O ATOM 0 H GLU A 142 -0.605 12.012 10.051 1.00 0.00 H new ATOM 0 HA GLU A 142 -0.403 14.509 8.641 1.00 0.00 H new ATOM 0 HB2 GLU A 142 0.285 11.652 7.819 1.00 0.00 H new ATOM 0 HB3 GLU A 142 0.780 13.088 6.944 1.00 0.00 H new ATOM 0 HG2 GLU A 142 1.925 13.938 9.031 1.00 0.00 H new ATOM 0 HG3 GLU A 142 1.467 12.466 9.865 1.00 0.00 H new ATOM 2287 N GLY A 143 -2.630 12.350 7.577 1.00 0.00 N ATOM 2288 CA GLY A 143 -3.790 12.243 6.650 1.00 0.00 C ATOM 2289 C GLY A 143 -4.684 13.467 6.845 1.00 0.00 C ATOM 2290 O GLY A 143 -5.038 14.148 5.905 1.00 0.00 O ATOM 0 H GLY A 143 -2.516 11.573 8.228 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -3.445 12.187 5.617 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -4.350 11.330 6.849 1.00 0.00 H new ATOM 2294 N HIS A 144 -5.029 13.768 8.070 1.00 0.00 N ATOM 2295 CA HIS A 144 -5.877 14.964 8.336 1.00 0.00 C ATOM 2296 C HIS A 144 -5.112 16.214 7.900 1.00 0.00 C ATOM 2297 O HIS A 144 -5.652 17.105 7.275 1.00 0.00 O ATOM 2298 CB HIS A 144 -6.179 15.053 9.832 1.00 0.00 C ATOM 2299 CG HIS A 144 -7.157 16.165 10.075 1.00 0.00 C ATOM 2300 ND1 HIS A 144 -6.753 17.456 10.385 1.00 0.00 N ATOM 2301 CD2 HIS A 144 -8.531 16.195 10.059 1.00 0.00 C ATOM 2302 CE1 HIS A 144 -7.863 18.201 10.540 1.00 0.00 C ATOM 2303 NE2 HIS A 144 -8.969 17.480 10.352 1.00 0.00 N ATOM 0 H HIS A 144 -4.759 13.236 8.897 1.00 0.00 H new ATOM 0 HA HIS A 144 -6.813 14.886 7.783 1.00 0.00 H new ATOM 0 HB2 HIS A 144 -6.589 14.108 10.189 1.00 0.00 H new ATOM 0 HB3 HIS A 144 -5.260 15.233 10.390 1.00 0.00 H new ATOM 0 HD2 HIS A 144 -9.171 15.350 9.851 1.00 0.00 H new ATOM 0 HE1 HIS A 144 -7.859 19.253 10.786 1.00 0.00 H new ATOM 0 HE2 HIS A 144 -9.934 17.804 10.411 1.00 0.00 H new ATOM 2312 N GLN A 145 -3.851 16.280 8.232 1.00 0.00 N ATOM 2313 CA GLN A 145 -3.034 17.466 7.847 1.00 0.00 C ATOM 2314 C GLN A 145 -3.048 17.627 6.326 1.00 0.00 C ATOM 2315 O GLN A 145 -3.176 18.720 5.806 1.00 0.00 O ATOM 2316 CB GLN A 145 -1.590 17.250 8.309 1.00 0.00 C ATOM 2317 CG GLN A 145 -0.773 18.522 8.062 1.00 0.00 C ATOM 2318 CD GLN A 145 -1.198 19.600 9.057 1.00 0.00 C ATOM 2319 OE1 GLN A 145 -1.324 19.340 10.237 1.00 0.00 O ATOM 2320 NE2 GLN A 145 -1.429 20.809 8.625 1.00 0.00 N ATOM 0 H GLN A 145 -3.350 15.561 8.755 1.00 0.00 H new ATOM 0 HA GLN A 145 -3.449 18.359 8.314 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -1.571 16.994 9.368 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -1.147 16.412 7.771 1.00 0.00 H new ATOM 0 HG2 GLN A 145 0.291 18.311 8.170 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -0.926 18.873 7.041 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -1.323 21.025 7.634 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -1.716 21.538 9.278 1.00 0.00 H new ATOM 2329 N PHE A 146 -2.903 16.547 5.608 1.00 0.00 N ATOM 2330 CA PHE A 146 -2.892 16.631 4.122 1.00 0.00 C ATOM 2331 C PHE A 146 -4.291 16.958 3.591 1.00 0.00 C ATOM 2332 O PHE A 146 -4.472 17.880 2.821 1.00 0.00 O ATOM 2333 CB PHE A 146 -2.436 15.294 3.545 1.00 0.00 C ATOM 2334 CG PHE A 146 -2.399 15.391 2.042 1.00 0.00 C ATOM 2335 CD1 PHE A 146 -3.559 15.152 1.303 1.00 0.00 C ATOM 2336 CD2 PHE A 146 -1.207 15.720 1.390 1.00 0.00 C ATOM 2337 CE1 PHE A 146 -3.533 15.239 -0.090 1.00 0.00 C ATOM 2338 CE2 PHE A 146 -1.177 15.808 -0.007 1.00 0.00 C ATOM 2339 CZ PHE A 146 -2.343 15.566 -0.748 1.00 0.00 C ATOM 0 H PHE A 146 -2.791 15.607 5.989 1.00 0.00 H new ATOM 0 HA PHE A 146 -2.207 17.423 3.821 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -1.449 15.036 3.929 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -3.116 14.500 3.854 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -4.478 14.899 1.810 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -0.311 15.906 1.963 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -4.432 15.054 -0.660 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -0.257 16.062 -0.513 1.00 0.00 H new ATOM 0 HZ PHE A 146 -2.322 15.632 -1.826 1.00 0.00 H new ATOM 2349 N LEU A 147 -5.279 16.204 3.984 1.00 0.00 N ATOM 2350 CA LEU A 147 -6.660 16.471 3.485 1.00 0.00 C ATOM 2351 C LEU A 147 -7.035 17.927 3.754 1.00 0.00 C ATOM 2352 O LEU A 147 -7.720 18.554 2.972 1.00 0.00 O ATOM 2353 CB LEU A 147 -7.654 15.537 4.183 1.00 0.00 C ATOM 2354 CG LEU A 147 -7.346 14.087 3.800 1.00 0.00 C ATOM 2355 CD1 LEU A 147 -8.355 13.152 4.461 1.00 0.00 C ATOM 2356 CD2 LEU A 147 -7.452 13.924 2.283 1.00 0.00 C ATOM 0 H LEU A 147 -5.193 15.417 4.627 1.00 0.00 H new ATOM 0 HA LEU A 147 -6.695 16.288 2.411 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -7.588 15.661 5.264 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -8.674 15.792 3.894 1.00 0.00 H new ATOM 0 HG LEU A 147 -6.338 13.840 4.134 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -8.131 12.122 4.185 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -8.295 13.259 5.544 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -9.361 13.407 4.127 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -7.232 12.891 2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -8.462 14.177 1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -6.738 14.587 1.795 1.00 0.00 H new ATOM 2368 N CYS A 148 -6.580 18.481 4.844 1.00 0.00 N ATOM 2369 CA CYS A 148 -6.902 19.904 5.140 1.00 0.00 C ATOM 2370 C CYS A 148 -6.081 20.801 4.208 1.00 0.00 C ATOM 2371 O CYS A 148 -6.303 21.991 4.118 1.00 0.00 O ATOM 2372 CB CYS A 148 -6.547 20.219 6.595 1.00 0.00 C ATOM 2373 SG CYS A 148 -5.688 21.810 6.674 1.00 0.00 S ATOM 0 H CYS A 148 -6.001 18.011 5.540 1.00 0.00 H new ATOM 0 HA CYS A 148 -7.966 20.082 4.985 1.00 0.00 H new ATOM 0 HB2 CYS A 148 -7.451 20.251 7.203 1.00 0.00 H new ATOM 0 HB3 CYS A 148 -5.915 19.431 7.005 1.00 0.00 H new ATOM 0 HG CYS A 148 -6.076 22.562 5.687 1.00 0.00 H new ATOM 2379 N SER A 149 -5.125 20.231 3.523 1.00 0.00 N ATOM 2380 CA SER A 149 -4.274 21.037 2.602 1.00 0.00 C ATOM 2381 C SER A 149 -4.856 21.033 1.186 1.00 0.00 C ATOM 2382 O SER A 149 -4.427 21.785 0.334 1.00 0.00 O ATOM 2383 CB SER A 149 -2.867 20.440 2.560 1.00 0.00 C ATOM 2384 OG SER A 149 -1.945 21.371 3.113 1.00 0.00 O ATOM 0 H SER A 149 -4.897 19.238 3.563 1.00 0.00 H new ATOM 0 HA SER A 149 -4.240 22.063 2.969 1.00 0.00 H new ATOM 0 HB2 SER A 149 -2.839 19.506 3.121 1.00 0.00 H new ATOM 0 HB3 SER A 149 -2.590 20.203 1.533 1.00 0.00 H new ATOM 0 HG SER A 149 -1.042 20.991 3.089 1.00 0.00 H new ATOM 2390 N ILE A 150 -5.819 20.196 0.918 1.00 0.00 N ATOM 2391 CA ILE A 150 -6.398 20.165 -0.451 1.00 0.00 C ATOM 2392 C ILE A 150 -7.410 21.296 -0.594 1.00 0.00 C ATOM 2393 O ILE A 150 -7.120 22.441 -0.312 1.00 0.00 O ATOM 2394 CB ILE A 150 -7.095 18.822 -0.699 1.00 0.00 C ATOM 2395 CG1 ILE A 150 -6.402 17.722 0.104 1.00 0.00 C ATOM 2396 CG2 ILE A 150 -7.008 18.481 -2.187 1.00 0.00 C ATOM 2397 CD1 ILE A 150 -7.179 16.416 -0.055 1.00 0.00 C ATOM 0 H ILE A 150 -6.226 19.538 1.582 1.00 0.00 H new ATOM 0 HA ILE A 150 -5.598 20.289 -1.181 1.00 0.00 H new ATOM 0 HB ILE A 150 -8.138 18.894 -0.390 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -5.377 17.593 -0.243 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -6.350 18.002 1.156 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -7.502 17.527 -2.371 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -7.499 19.262 -2.768 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -5.961 18.411 -2.484 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -6.688 15.628 0.516 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -8.196 16.551 0.313 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -7.208 16.136 -1.108 1.00 0.00 H new