USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 848 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 11 THR OG1 : rot -80:sc= 0.229 USER MOD Set 1.2: A 34 THR OG1 : rot 180:sc= 0.222 USER MOD Set 1.3: A 78 SER OG : rot -130:sc= -0.04 USER MOD Set 2.1: A 70 ASN : amide:sc= 0.83 K(o=1.7,f=-3.1!) USER MOD Set 2.2: A 72 THR OG1 : rot -76:sc= 0.847 USER MOD Set 3.1: A 43 SER OG : rot 180:sc= -0.072 USER MOD Set 3.2: A 44 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 18 THR OG1 : rot 113:sc= 0.796 USER MOD Set 4.2: A 28 THR OG1 : rot -10:sc= 0.922 USER MOD Single : A 13 GLN : amide:sc= -1.19 K(o=-1.2,f=-4.5!) USER MOD Single : A 14 THR OG1 : rot 136:sc= -1.19 USER MOD Single : A 16 LYS NZ :NH3+ 163:sc= -0.0322 (180deg=-0.296) USER MOD Single : A 17 GLN : amide:sc= -0.133 X(o=-0.13,f=0) USER MOD Single : A 22 THR OG1 : rot -77:sc= 0.215 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.17 USER MOD Single : A 40 ASN : amide:sc= -0.143 X(o=-0.14,f=0) USER MOD Single : A 41 MET CE :methyl -127:sc= -0.198 (180deg=-1.07) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 72:sc= 0.976 USER MOD Single : A 50 SER OG : rot -79:sc= 0.699 USER MOD Single : A 58 THR OG1 : rot 79:sc= 0.591 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 164:sc= -0.0406 (180deg=-0.323) USER MOD Single : A 73 SER OG : rot -170:sc= 0.0203 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.633 K(o=-0.63,f=-3.1!) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot -35:sc= 0.125 USER MOD Single : A 106 CYS SG : rot -2:sc= -3.95 USER MOD ----------------------------------------------------------------- ATOM 84 N LEU A 6 11.252 -15.495 5.534 1.00 0.00 N ATOM 85 CA LEU A 6 11.677 -14.241 4.889 1.00 0.00 C ATOM 86 C LEU A 6 12.769 -14.491 3.836 1.00 0.00 C ATOM 87 O LEU A 6 13.964 -14.396 4.128 1.00 0.00 O ATOM 88 CB LEU A 6 12.160 -13.236 5.976 1.00 0.00 C ATOM 89 CG LEU A 6 11.225 -13.054 7.218 1.00 0.00 C ATOM 90 CD1 LEU A 6 11.800 -12.034 8.221 1.00 0.00 C ATOM 91 CD2 LEU A 6 9.790 -12.679 6.806 1.00 0.00 C ATOM 0 HA LEU A 6 10.824 -13.811 4.363 1.00 0.00 H new ATOM 0 HB2 LEU A 6 13.139 -13.559 6.330 1.00 0.00 H new ATOM 0 HB3 LEU A 6 12.296 -12.262 5.505 1.00 0.00 H new ATOM 0 HG LEU A 6 11.178 -14.020 7.721 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.122 -11.936 9.069 1.00 0.00 H new ATOM 0 HD12 LEU A 6 12.773 -12.378 8.572 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.912 -11.066 7.732 1.00 0.00 H new ATOM 0 HD21 LEU A 6 9.174 -12.562 7.698 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.804 -11.742 6.250 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.374 -13.467 6.178 1.00 0.00 H new ATOM 103 N ARG A 7 12.341 -14.851 2.616 1.00 0.00 N ATOM 104 CA ARG A 7 13.250 -15.152 1.487 1.00 0.00 C ATOM 105 C ARG A 7 13.413 -13.942 0.560 1.00 0.00 C ATOM 106 O ARG A 7 14.378 -13.872 -0.202 1.00 0.00 O ATOM 107 CB ARG A 7 12.730 -16.352 0.654 1.00 0.00 C ATOM 108 CG ARG A 7 12.637 -17.686 1.416 1.00 0.00 C ATOM 109 CD ARG A 7 12.310 -18.865 0.483 1.00 0.00 C ATOM 110 NE ARG A 7 13.349 -19.045 -0.559 1.00 0.00 N ATOM 111 CZ ARG A 7 13.128 -19.250 -1.870 1.00 0.00 C ATOM 112 NH1 ARG A 7 11.894 -19.327 -2.359 1.00 0.00 N ATOM 113 NH2 ARG A 7 14.158 -19.366 -2.693 1.00 0.00 N ATOM 0 H ARG A 7 11.353 -14.943 2.379 1.00 0.00 H new ATOM 0 HA ARG A 7 14.217 -15.403 1.922 1.00 0.00 H new ATOM 0 HB2 ARG A 7 11.742 -16.104 0.266 1.00 0.00 H new ATOM 0 HB3 ARG A 7 13.385 -16.488 -0.206 1.00 0.00 H new ATOM 0 HG2 ARG A 7 13.581 -17.879 1.925 1.00 0.00 H new ATOM 0 HG3 ARG A 7 11.869 -17.610 2.186 1.00 0.00 H new ATOM 0 HD2 ARG A 7 12.221 -19.779 1.070 1.00 0.00 H new ATOM 0 HD3 ARG A 7 11.344 -18.696 0.008 1.00 0.00 H new ATOM 0 HE ARG A 7 14.322 -19.010 -0.254 1.00 0.00 H new ATOM 0 HH11 ARG A 7 11.092 -19.230 -1.737 1.00 0.00 H new ATOM 0 HH12 ARG A 7 11.750 -19.483 -3.357 1.00 0.00 H new ATOM 0 HH21 ARG A 7 15.110 -19.300 -2.332 1.00 0.00 H new ATOM 0 HH22 ARG A 7 14.000 -19.522 -3.689 1.00 0.00 H new ATOM 127 N ASP A 8 12.448 -13.013 0.612 1.00 0.00 N ATOM 128 CA ASP A 8 12.360 -11.857 -0.303 1.00 0.00 C ATOM 129 C ASP A 8 12.566 -10.555 0.475 1.00 0.00 C ATOM 130 O ASP A 8 12.877 -10.579 1.671 1.00 0.00 O ATOM 131 CB ASP A 8 10.968 -11.848 -0.987 1.00 0.00 C ATOM 132 CG ASP A 8 10.680 -13.149 -1.745 1.00 0.00 C ATOM 133 OD1 ASP A 8 11.071 -13.265 -2.926 1.00 0.00 O ATOM 134 OD2 ASP A 8 10.100 -14.082 -1.139 1.00 0.00 O ATOM 0 H ASP A 8 11.694 -13.040 1.299 1.00 0.00 H new ATOM 0 HA ASP A 8 13.138 -11.938 -1.062 1.00 0.00 H new ATOM 0 HB2 ASP A 8 10.197 -11.692 -0.233 1.00 0.00 H new ATOM 0 HB3 ASP A 8 10.912 -11.008 -1.679 1.00 0.00 H new ATOM 139 N ARG A 9 12.401 -9.414 -0.218 1.00 0.00 N ATOM 140 CA ARG A 9 12.474 -8.072 0.396 1.00 0.00 C ATOM 141 C ARG A 9 11.379 -7.171 -0.179 1.00 0.00 C ATOM 142 O ARG A 9 10.976 -7.327 -1.341 1.00 0.00 O ATOM 143 CB ARG A 9 13.851 -7.396 0.177 1.00 0.00 C ATOM 144 CG ARG A 9 15.060 -8.178 0.733 1.00 0.00 C ATOM 145 CD ARG A 9 16.363 -7.385 0.623 1.00 0.00 C ATOM 146 NE ARG A 9 16.618 -6.903 -0.752 1.00 0.00 N ATOM 147 CZ ARG A 9 16.949 -5.641 -1.081 1.00 0.00 C ATOM 148 NH1 ARG A 9 17.148 -4.729 -0.142 1.00 0.00 N ATOM 149 NH2 ARG A 9 17.102 -5.306 -2.353 1.00 0.00 N ATOM 0 H ARG A 9 12.213 -9.394 -1.220 1.00 0.00 H new ATOM 0 HA ARG A 9 12.332 -8.206 1.468 1.00 0.00 H new ATOM 0 HB2 ARG A 9 13.997 -7.243 -0.892 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.832 -6.410 0.640 1.00 0.00 H new ATOM 0 HG2 ARG A 9 14.878 -8.430 1.778 1.00 0.00 H new ATOM 0 HG3 ARG A 9 15.162 -9.118 0.191 1.00 0.00 H new ATOM 0 HD2 ARG A 9 16.325 -6.533 1.302 1.00 0.00 H new ATOM 0 HD3 ARG A 9 17.194 -8.012 0.945 1.00 0.00 H new ATOM 0 HE ARG A 9 16.537 -7.580 -1.510 1.00 0.00 H new ATOM 0 HH11 ARG A 9 17.051 -4.980 0.842 1.00 0.00 H new ATOM 0 HH12 ARG A 9 17.399 -3.775 -0.402 1.00 0.00 H new ATOM 0 HH21 ARG A 9 16.969 -6.005 -3.084 1.00 0.00 H new ATOM 0 HH22 ARG A 9 17.353 -4.349 -2.602 1.00 0.00 H new ATOM 163 N ILE A 10 10.934 -6.213 0.644 1.00 0.00 N ATOM 164 CA ILE A 10 9.868 -5.242 0.307 1.00 0.00 C ATOM 165 C ILE A 10 10.250 -3.852 0.843 1.00 0.00 C ATOM 166 O ILE A 10 11.151 -3.744 1.667 1.00 0.00 O ATOM 167 CB ILE A 10 8.486 -5.634 0.943 1.00 0.00 C ATOM 168 CG1 ILE A 10 8.578 -5.605 2.513 1.00 0.00 C ATOM 169 CG2 ILE A 10 7.976 -7.000 0.402 1.00 0.00 C ATOM 170 CD1 ILE A 10 7.257 -5.707 3.245 1.00 0.00 C ATOM 0 H ILE A 10 11.308 -6.083 1.584 1.00 0.00 H new ATOM 0 HA ILE A 10 9.770 -5.240 -0.779 1.00 0.00 H new ATOM 0 HB ILE A 10 7.745 -4.893 0.645 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.218 -6.426 2.837 1.00 0.00 H new ATOM 0 HG13 ILE A 10 9.070 -4.680 2.814 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.018 -7.239 0.864 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.853 -6.940 -0.679 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.699 -7.779 0.642 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.434 -5.678 4.320 1.00 0.00 H new ATOM 0 HD12 ILE A 10 6.617 -4.872 2.959 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.768 -6.645 2.983 1.00 0.00 H new ATOM 182 N THR A 11 9.504 -2.815 0.426 1.00 0.00 N ATOM 183 CA THR A 11 9.705 -1.430 0.881 1.00 0.00 C ATOM 184 C THR A 11 8.358 -0.860 1.364 1.00 0.00 C ATOM 185 O THR A 11 7.320 -1.124 0.749 1.00 0.00 O ATOM 186 CB THR A 11 10.291 -0.546 -0.270 1.00 0.00 C ATOM 187 OG1 THR A 11 11.350 -1.263 -0.930 1.00 0.00 O ATOM 188 CG2 THR A 11 10.841 0.789 0.254 1.00 0.00 C ATOM 0 H THR A 11 8.739 -2.916 -0.241 1.00 0.00 H new ATOM 0 HA THR A 11 10.421 -1.423 1.703 1.00 0.00 H new ATOM 0 HB THR A 11 9.481 -0.328 -0.966 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.173 -1.189 -0.403 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.238 1.371 -0.578 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.040 1.348 0.738 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.636 0.597 0.974 1.00 0.00 H new ATOM 196 N ILE A 12 8.386 -0.114 2.479 1.00 0.00 N ATOM 197 CA ILE A 12 7.179 0.503 3.070 1.00 0.00 C ATOM 198 C ILE A 12 6.953 1.907 2.481 1.00 0.00 C ATOM 199 O ILE A 12 7.528 2.896 2.941 1.00 0.00 O ATOM 200 CB ILE A 12 7.263 0.559 4.644 1.00 0.00 C ATOM 201 CG1 ILE A 12 7.629 -0.845 5.225 1.00 0.00 C ATOM 202 CG2 ILE A 12 5.946 1.105 5.271 1.00 0.00 C ATOM 203 CD1 ILE A 12 6.690 -1.971 4.830 1.00 0.00 C ATOM 0 H ILE A 12 9.242 0.081 2.999 1.00 0.00 H new ATOM 0 HA ILE A 12 6.325 -0.124 2.815 1.00 0.00 H new ATOM 0 HB ILE A 12 8.057 1.256 4.911 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.637 -1.103 4.901 1.00 0.00 H new ATOM 0 HG13 ILE A 12 7.651 -0.776 6.313 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.042 1.129 6.356 1.00 0.00 H new ATOM 0 HG22 ILE A 12 5.758 2.113 4.901 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.115 0.456 4.995 1.00 0.00 H new ATOM 0 HD11 ILE A 12 7.029 -2.903 5.283 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.682 -1.744 5.178 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.684 -2.076 3.745 1.00 0.00 H new ATOM 215 N GLN A 13 6.153 1.955 1.410 1.00 0.00 N ATOM 216 CA GLN A 13 5.713 3.208 0.774 1.00 0.00 C ATOM 217 C GLN A 13 4.695 3.940 1.658 1.00 0.00 C ATOM 218 O GLN A 13 3.517 3.596 1.710 1.00 0.00 O ATOM 219 CB GLN A 13 5.159 2.946 -0.669 1.00 0.00 C ATOM 220 CG GLN A 13 6.221 3.117 -1.774 1.00 0.00 C ATOM 221 CD GLN A 13 7.484 2.280 -1.564 1.00 0.00 C ATOM 222 OE1 GLN A 13 7.433 1.168 -1.041 1.00 0.00 O ATOM 223 NE2 GLN A 13 8.632 2.822 -1.940 1.00 0.00 N ATOM 0 H GLN A 13 5.788 1.119 0.954 1.00 0.00 H new ATOM 0 HA GLN A 13 6.580 3.861 0.668 1.00 0.00 H new ATOM 0 HB2 GLN A 13 4.755 1.935 -0.717 1.00 0.00 H new ATOM 0 HB3 GLN A 13 4.332 3.629 -0.862 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.777 2.851 -2.733 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.501 4.169 -1.834 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.643 3.746 -2.371 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.506 2.315 -1.798 1.00 0.00 H new ATOM 232 N THR A 14 5.215 4.928 2.381 1.00 0.00 N ATOM 233 CA THR A 14 4.429 5.829 3.221 1.00 0.00 C ATOM 234 C THR A 14 3.869 6.982 2.360 1.00 0.00 C ATOM 235 O THR A 14 4.574 7.501 1.484 1.00 0.00 O ATOM 236 CB THR A 14 5.308 6.360 4.395 1.00 0.00 C ATOM 237 OG1 THR A 14 6.540 6.877 3.881 1.00 0.00 O ATOM 238 CG2 THR A 14 5.620 5.247 5.418 1.00 0.00 C ATOM 0 H THR A 14 6.215 5.129 2.400 1.00 0.00 H new ATOM 0 HA THR A 14 3.586 5.292 3.655 1.00 0.00 H new ATOM 0 HB THR A 14 4.747 7.147 4.899 1.00 0.00 H new ATOM 0 HG1 THR A 14 6.745 7.730 4.318 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.234 5.653 6.222 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.688 4.862 5.832 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.158 4.439 4.923 1.00 0.00 H new ATOM 246 N LEU A 15 2.602 7.372 2.610 1.00 0.00 N ATOM 247 CA LEU A 15 1.887 8.369 1.788 1.00 0.00 C ATOM 248 C LEU A 15 2.359 9.786 2.162 1.00 0.00 C ATOM 249 O LEU A 15 2.036 10.284 3.245 1.00 0.00 O ATOM 250 CB LEU A 15 0.350 8.214 1.999 1.00 0.00 C ATOM 251 CG LEU A 15 -0.575 9.197 1.200 1.00 0.00 C ATOM 252 CD1 LEU A 15 -0.428 9.025 -0.329 1.00 0.00 C ATOM 253 CD2 LEU A 15 -2.048 9.053 1.647 1.00 0.00 C ATOM 0 H LEU A 15 2.048 7.006 3.384 1.00 0.00 H new ATOM 0 HA LEU A 15 2.107 8.204 0.733 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.072 7.194 1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.139 8.336 3.061 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.248 10.211 1.433 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.088 9.727 -0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.604 9.221 -0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.697 8.006 -0.608 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.670 9.745 1.079 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.384 8.032 1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.130 9.281 2.710 1.00 0.00 H new ATOM 265 N LYS A 16 3.172 10.399 1.289 1.00 0.00 N ATOM 266 CA LYS A 16 3.710 11.757 1.484 1.00 0.00 C ATOM 267 C LYS A 16 2.777 12.816 0.869 1.00 0.00 C ATOM 268 O LYS A 16 2.558 12.821 -0.342 1.00 0.00 O ATOM 269 CB LYS A 16 5.111 11.863 0.823 1.00 0.00 C ATOM 270 CG LYS A 16 5.850 13.199 1.080 1.00 0.00 C ATOM 271 CD LYS A 16 7.253 13.251 0.422 1.00 0.00 C ATOM 272 CE LYS A 16 8.088 14.453 0.898 1.00 0.00 C ATOM 273 NZ LYS A 16 8.365 14.384 2.361 1.00 0.00 N ATOM 0 H LYS A 16 3.478 9.963 0.419 1.00 0.00 H new ATOM 0 HA LYS A 16 3.787 11.942 2.555 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.732 11.045 1.187 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.001 11.726 -0.253 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.245 14.022 0.699 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.953 13.350 2.155 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.790 12.329 0.647 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.140 13.298 -0.661 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.030 14.482 0.350 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.558 15.378 0.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.148 15.026 2.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.515 14.667 2.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.625 13.411 2.619 1.00 0.00 H new ATOM 287 N GLN A 17 2.243 13.708 1.707 1.00 0.00 N ATOM 288 CA GLN A 17 1.503 14.894 1.245 1.00 0.00 C ATOM 289 C GLN A 17 2.515 15.978 0.825 1.00 0.00 C ATOM 290 O GLN A 17 3.017 16.739 1.664 1.00 0.00 O ATOM 291 CB GLN A 17 0.550 15.392 2.367 1.00 0.00 C ATOM 292 CG GLN A 17 -0.549 14.383 2.751 1.00 0.00 C ATOM 293 CD GLN A 17 -1.447 14.883 3.887 1.00 0.00 C ATOM 294 OE1 GLN A 17 -1.164 14.665 5.063 1.00 0.00 O ATOM 295 NE2 GLN A 17 -2.525 15.566 3.541 1.00 0.00 N ATOM 0 H GLN A 17 2.309 13.633 2.722 1.00 0.00 H new ATOM 0 HA GLN A 17 0.885 14.647 0.381 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.140 15.625 3.253 1.00 0.00 H new ATOM 0 HB3 GLN A 17 0.079 16.320 2.044 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.163 14.172 1.876 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.084 13.443 3.049 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -2.731 15.729 2.555 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.151 15.930 4.260 1.00 0.00 H new ATOM 304 N THR A 18 2.836 16.014 -0.479 1.00 0.00 N ATOM 305 CA THR A 18 3.875 16.889 -1.029 1.00 0.00 C ATOM 306 C THR A 18 3.250 18.223 -1.457 1.00 0.00 C ATOM 307 O THR A 18 2.482 18.276 -2.417 1.00 0.00 O ATOM 308 CB THR A 18 4.597 16.220 -2.246 1.00 0.00 C ATOM 309 OG1 THR A 18 5.225 14.992 -1.832 1.00 0.00 O ATOM 310 CG2 THR A 18 5.648 17.151 -2.878 1.00 0.00 C ATOM 0 H THR A 18 2.378 15.433 -1.181 1.00 0.00 H new ATOM 0 HA THR A 18 4.621 17.065 -0.254 1.00 0.00 H new ATOM 0 HB THR A 18 3.839 16.013 -3.001 1.00 0.00 H new ATOM 0 HG1 THR A 18 4.772 14.234 -2.256 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.124 16.645 -3.718 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.163 18.062 -3.230 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.403 17.406 -2.134 1.00 0.00 H new ATOM 318 N ARG A 19 3.587 19.296 -0.742 1.00 0.00 N ATOM 319 CA ARG A 19 2.973 20.607 -0.943 1.00 0.00 C ATOM 320 C ARG A 19 3.714 21.416 -2.024 1.00 0.00 C ATOM 321 O ARG A 19 4.911 21.225 -2.253 1.00 0.00 O ATOM 322 CB ARG A 19 2.916 21.366 0.400 1.00 0.00 C ATOM 323 CG ARG A 19 2.068 22.659 0.376 1.00 0.00 C ATOM 324 CD ARG A 19 1.915 23.295 1.761 1.00 0.00 C ATOM 325 NE ARG A 19 1.091 24.522 1.713 1.00 0.00 N ATOM 326 CZ ARG A 19 1.511 25.769 2.002 1.00 0.00 C ATOM 327 NH1 ARG A 19 2.758 26.001 2.405 1.00 0.00 N ATOM 328 NH2 ARG A 19 0.670 26.789 1.878 1.00 0.00 N ATOM 0 H ARG A 19 4.294 19.280 -0.007 1.00 0.00 H new ATOM 0 HA ARG A 19 1.954 20.466 -1.303 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.514 20.698 1.162 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.932 21.620 0.702 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.530 23.378 -0.300 1.00 0.00 H new ATOM 0 HG3 ARG A 19 1.080 22.433 -0.026 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.459 22.577 2.442 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.900 23.534 2.162 1.00 0.00 H new ATOM 0 HE ARG A 19 0.115 24.414 1.436 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.416 25.227 2.500 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.056 26.953 2.619 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.287 26.626 1.566 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.981 27.736 2.095 1.00 0.00 H new ATOM 342 N ASP A 20 2.972 22.320 -2.678 1.00 0.00 N ATOM 343 CA ASP A 20 3.501 23.225 -3.715 1.00 0.00 C ATOM 344 C ASP A 20 3.570 24.656 -3.138 1.00 0.00 C ATOM 345 O ASP A 20 2.942 24.942 -2.106 1.00 0.00 O ATOM 346 CB ASP A 20 2.600 23.182 -4.985 1.00 0.00 C ATOM 347 CG ASP A 20 3.200 23.953 -6.183 1.00 0.00 C ATOM 348 OD1 ASP A 20 4.040 23.383 -6.911 1.00 0.00 O ATOM 349 OD2 ASP A 20 2.869 25.141 -6.377 1.00 0.00 O ATOM 0 H ASP A 20 1.975 22.447 -2.502 1.00 0.00 H new ATOM 0 HA ASP A 20 4.501 22.905 -4.008 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.439 22.143 -5.273 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.623 23.601 -4.744 1.00 0.00 H new ATOM 354 N ILE A 21 4.325 25.552 -3.807 1.00 0.00 N ATOM 355 CA ILE A 21 4.501 26.967 -3.393 1.00 0.00 C ATOM 356 C ILE A 21 3.226 27.841 -3.626 1.00 0.00 C ATOM 357 O ILE A 21 3.192 29.024 -3.251 1.00 0.00 O ATOM 358 CB ILE A 21 5.768 27.576 -4.119 1.00 0.00 C ATOM 359 CG1 ILE A 21 6.219 28.935 -3.476 1.00 0.00 C ATOM 360 CG2 ILE A 21 5.521 27.721 -5.645 1.00 0.00 C ATOM 361 CD1 ILE A 21 7.540 29.482 -3.999 1.00 0.00 C ATOM 0 H ILE A 21 4.836 25.315 -4.658 1.00 0.00 H new ATOM 0 HA ILE A 21 4.663 26.978 -2.315 1.00 0.00 H new ATOM 0 HB ILE A 21 6.590 26.874 -3.979 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.441 29.678 -3.648 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.299 28.801 -2.397 1.00 0.00 H new ATOM 0 HG21 ILE A 21 6.408 28.142 -6.119 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.311 26.741 -6.074 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.671 28.382 -5.815 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.769 30.422 -3.497 1.00 0.00 H new ATOM 0 HD12 ILE A 21 8.335 28.763 -3.802 1.00 0.00 H new ATOM 0 HD13 ILE A 21 7.463 29.653 -5.073 1.00 0.00 H new ATOM 373 N THR A 22 2.155 27.241 -4.182 1.00 0.00 N ATOM 374 CA THR A 22 0.826 27.894 -4.313 1.00 0.00 C ATOM 375 C THR A 22 -0.097 27.422 -3.151 1.00 0.00 C ATOM 376 O THR A 22 -1.150 28.014 -2.866 1.00 0.00 O ATOM 377 CB THR A 22 0.174 27.527 -5.688 1.00 0.00 C ATOM 378 OG1 THR A 22 0.068 26.093 -5.791 1.00 0.00 O ATOM 379 CG2 THR A 22 0.979 28.087 -6.885 1.00 0.00 C ATOM 0 H THR A 22 2.181 26.292 -4.554 1.00 0.00 H new ATOM 0 HA THR A 22 0.954 28.975 -4.264 1.00 0.00 H new ATOM 0 HB THR A 22 -0.815 27.983 -5.726 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.947 25.714 -6.000 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.488 27.807 -7.817 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.029 29.174 -6.814 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.988 27.676 -6.869 1.00 0.00 H new ATOM 387 N GLY A 23 0.360 26.343 -2.486 1.00 0.00 N ATOM 388 CA GLY A 23 -0.341 25.721 -1.366 1.00 0.00 C ATOM 389 C GLY A 23 -1.274 24.594 -1.804 1.00 0.00 C ATOM 390 O GLY A 23 -2.404 24.478 -1.309 1.00 0.00 O ATOM 0 H GLY A 23 1.238 25.880 -2.721 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.390 25.328 -0.659 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.918 26.480 -0.838 1.00 0.00 H new ATOM 394 N GLU A 24 -0.806 23.775 -2.760 1.00 0.00 N ATOM 395 CA GLU A 24 -1.513 22.555 -3.213 1.00 0.00 C ATOM 396 C GLU A 24 -0.938 21.336 -2.481 1.00 0.00 C ATOM 397 O GLU A 24 0.231 21.342 -2.113 1.00 0.00 O ATOM 398 CB GLU A 24 -1.368 22.362 -4.746 1.00 0.00 C ATOM 399 CG GLU A 24 -2.019 23.459 -5.601 1.00 0.00 C ATOM 400 CD GLU A 24 -1.779 23.240 -7.106 1.00 0.00 C ATOM 401 OE1 GLU A 24 -2.333 22.266 -7.669 1.00 0.00 O ATOM 402 OE2 GLU A 24 -1.010 24.004 -7.729 1.00 0.00 O ATOM 0 H GLU A 24 0.076 23.937 -3.245 1.00 0.00 H new ATOM 0 HA GLU A 24 -2.573 22.662 -2.984 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.307 22.311 -4.992 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.805 21.402 -5.019 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.091 23.482 -5.405 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.620 24.430 -5.308 1.00 0.00 H new ATOM 409 N ILE A 25 -1.768 20.302 -2.249 1.00 0.00 N ATOM 410 CA ILE A 25 -1.317 19.017 -1.676 1.00 0.00 C ATOM 411 C ILE A 25 -1.354 17.940 -2.781 1.00 0.00 C ATOM 412 O ILE A 25 -2.431 17.529 -3.231 1.00 0.00 O ATOM 413 CB ILE A 25 -2.192 18.586 -0.432 1.00 0.00 C ATOM 414 CG1 ILE A 25 -2.046 19.618 0.740 1.00 0.00 C ATOM 415 CG2 ILE A 25 -1.842 17.144 0.045 1.00 0.00 C ATOM 416 CD1 ILE A 25 -0.651 19.704 1.336 1.00 0.00 C ATOM 0 H ILE A 25 -2.767 20.332 -2.452 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.297 19.133 -1.310 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.234 18.579 -0.751 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.333 20.605 0.376 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.749 19.353 1.530 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.464 16.883 0.901 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.026 16.438 -0.765 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.792 17.101 0.333 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.643 20.441 2.139 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.365 18.731 1.735 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.057 20.002 0.563 1.00 0.00 H new ATOM 428 N LEU A 26 -0.158 17.547 -3.242 1.00 0.00 N ATOM 429 CA LEU A 26 0.049 16.457 -4.203 1.00 0.00 C ATOM 430 C LEU A 26 0.439 15.202 -3.410 1.00 0.00 C ATOM 431 O LEU A 26 1.580 15.092 -2.942 1.00 0.00 O ATOM 432 CB LEU A 26 1.175 16.804 -5.239 1.00 0.00 C ATOM 433 CG LEU A 26 0.917 17.999 -6.220 1.00 0.00 C ATOM 434 CD1 LEU A 26 0.966 19.374 -5.503 1.00 0.00 C ATOM 435 CD2 LEU A 26 1.914 17.951 -7.406 1.00 0.00 C ATOM 0 H LEU A 26 0.713 17.990 -2.949 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.869 16.295 -4.768 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.088 17.017 -4.683 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.366 15.913 -5.838 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.095 17.887 -6.609 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.781 20.168 -6.226 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.203 19.406 -4.726 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.949 19.515 -5.053 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.721 18.788 -8.078 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.934 18.018 -7.027 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.789 17.014 -7.949 1.00 0.00 H new ATOM 447 N GLU A 27 -0.503 14.264 -3.247 1.00 0.00 N ATOM 448 CA GLU A 27 -0.269 13.052 -2.460 1.00 0.00 C ATOM 449 C GLU A 27 0.501 12.032 -3.303 1.00 0.00 C ATOM 450 O GLU A 27 0.090 11.678 -4.415 1.00 0.00 O ATOM 451 CB GLU A 27 -1.595 12.472 -1.927 1.00 0.00 C ATOM 452 CG GLU A 27 -2.300 13.413 -0.935 1.00 0.00 C ATOM 453 CD GLU A 27 -3.531 12.791 -0.270 1.00 0.00 C ATOM 454 OE1 GLU A 27 -4.645 12.899 -0.827 1.00 0.00 O ATOM 455 OE2 GLU A 27 -3.388 12.193 0.819 1.00 0.00 O ATOM 0 H GLU A 27 -1.437 14.324 -3.652 1.00 0.00 H new ATOM 0 HA GLU A 27 0.337 13.303 -1.589 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.261 12.270 -2.766 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.399 11.517 -1.439 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.591 13.710 -0.162 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.600 14.321 -1.459 1.00 0.00 H new ATOM 462 N THR A 28 1.614 11.572 -2.734 1.00 0.00 N ATOM 463 CA THR A 28 2.649 10.774 -3.403 1.00 0.00 C ATOM 464 C THR A 28 3.119 9.676 -2.435 1.00 0.00 C ATOM 465 O THR A 28 2.577 9.541 -1.333 1.00 0.00 O ATOM 466 CB THR A 28 3.862 11.679 -3.830 1.00 0.00 C ATOM 467 OG1 THR A 28 4.336 12.426 -2.697 1.00 0.00 O ATOM 468 CG2 THR A 28 3.506 12.653 -4.966 1.00 0.00 C ATOM 0 H THR A 28 1.832 11.751 -1.754 1.00 0.00 H new ATOM 0 HA THR A 28 2.236 10.325 -4.306 1.00 0.00 H new ATOM 0 HB THR A 28 4.640 11.012 -4.201 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.703 12.331 -1.955 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.381 13.252 -5.219 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.186 12.089 -5.842 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.698 13.309 -4.643 1.00 0.00 H new ATOM 476 N TRP A 29 4.125 8.883 -2.832 1.00 0.00 N ATOM 477 CA TRP A 29 4.619 7.759 -2.023 1.00 0.00 C ATOM 478 C TRP A 29 6.138 7.869 -1.861 1.00 0.00 C ATOM 479 O TRP A 29 6.881 7.816 -2.847 1.00 0.00 O ATOM 480 CB TRP A 29 4.211 6.414 -2.681 1.00 0.00 C ATOM 481 CG TRP A 29 2.710 6.260 -2.822 1.00 0.00 C ATOM 482 CD1 TRP A 29 1.938 6.585 -3.905 1.00 0.00 C ATOM 483 CD2 TRP A 29 1.804 5.791 -1.818 1.00 0.00 C ATOM 484 NE1 TRP A 29 0.620 6.321 -3.638 1.00 0.00 N ATOM 485 CE2 TRP A 29 0.510 5.833 -2.365 1.00 0.00 C ATOM 486 CE3 TRP A 29 1.968 5.323 -0.518 1.00 0.00 C ATOM 487 CZ2 TRP A 29 -0.616 5.440 -1.649 1.00 0.00 C ATOM 488 CZ3 TRP A 29 0.852 4.934 0.195 1.00 0.00 C ATOM 489 CH2 TRP A 29 -0.426 4.987 -0.371 1.00 0.00 C ATOM 0 H TRP A 29 4.617 9.002 -3.718 1.00 0.00 H new ATOM 0 HA TRP A 29 4.170 7.794 -1.030 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.673 6.342 -3.666 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.602 5.590 -2.084 1.00 0.00 H new ATOM 0 HD1 TRP A 29 2.313 6.990 -4.833 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -0.155 6.465 -4.285 1.00 0.00 H new ATOM 0 HE3 TRP A 29 2.951 5.265 -0.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.603 5.490 -2.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.968 4.582 1.209 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.278 4.665 0.210 1.00 0.00 H new ATOM 500 N GLU A 30 6.577 8.075 -0.608 1.00 0.00 N ATOM 501 CA GLU A 30 8.000 8.097 -0.241 1.00 0.00 C ATOM 502 C GLU A 30 8.386 6.731 0.337 1.00 0.00 C ATOM 503 O GLU A 30 7.572 6.075 1.003 1.00 0.00 O ATOM 504 CB GLU A 30 8.314 9.249 0.759 1.00 0.00 C ATOM 505 CG GLU A 30 7.535 9.212 2.091 1.00 0.00 C ATOM 506 CD GLU A 30 8.003 10.267 3.118 1.00 0.00 C ATOM 507 OE1 GLU A 30 9.129 10.135 3.644 1.00 0.00 O ATOM 508 OE2 GLU A 30 7.259 11.232 3.406 1.00 0.00 O ATOM 0 H GLU A 30 5.950 8.232 0.181 1.00 0.00 H new ATOM 0 HA GLU A 30 8.596 8.290 -1.133 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.381 9.230 0.983 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.109 10.199 0.266 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.475 9.364 1.885 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.635 8.220 2.532 1.00 0.00 H new ATOM 515 N ASP A 31 9.630 6.304 0.065 1.00 0.00 N ATOM 516 CA ASP A 31 10.133 4.986 0.482 1.00 0.00 C ATOM 517 C ASP A 31 10.521 5.028 1.969 1.00 0.00 C ATOM 518 O ASP A 31 11.143 5.992 2.433 1.00 0.00 O ATOM 519 CB ASP A 31 11.335 4.536 -0.405 1.00 0.00 C ATOM 520 CG ASP A 31 12.630 5.343 -0.177 1.00 0.00 C ATOM 521 OD1 ASP A 31 12.674 6.537 -0.553 1.00 0.00 O ATOM 522 OD2 ASP A 31 13.618 4.786 0.365 1.00 0.00 O ATOM 0 H ASP A 31 10.313 6.861 -0.448 1.00 0.00 H new ATOM 0 HA ASP A 31 9.342 4.248 0.348 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.539 3.483 -0.213 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.049 4.619 -1.453 1.00 0.00 H new ATOM 527 N GLY A 32 10.147 3.977 2.710 1.00 0.00 N ATOM 528 CA GLY A 32 10.410 3.894 4.143 1.00 0.00 C ATOM 529 C GLY A 32 11.576 2.970 4.427 1.00 0.00 C ATOM 530 O GLY A 32 12.724 3.297 4.102 1.00 0.00 O ATOM 0 H GLY A 32 9.657 3.167 2.331 1.00 0.00 H new ATOM 0 HA2 GLY A 32 10.625 4.888 4.535 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.521 3.533 4.659 1.00 0.00 H new ATOM 534 N HIS A 33 11.287 1.802 5.009 1.00 0.00 N ATOM 535 CA HIS A 33 12.302 0.790 5.334 1.00 0.00 C ATOM 536 C HIS A 33 12.149 -0.393 4.374 1.00 0.00 C ATOM 537 O HIS A 33 11.021 -0.839 4.118 1.00 0.00 O ATOM 538 CB HIS A 33 12.158 0.326 6.811 1.00 0.00 C ATOM 539 CG HIS A 33 12.591 1.359 7.826 1.00 0.00 C ATOM 540 ND1 HIS A 33 13.760 1.260 8.555 1.00 0.00 N ATOM 541 CD2 HIS A 33 11.996 2.504 8.242 1.00 0.00 C ATOM 542 CE1 HIS A 33 13.862 2.298 9.364 1.00 0.00 C ATOM 543 NE2 HIS A 33 12.806 3.066 9.193 1.00 0.00 N ATOM 0 H HIS A 33 10.339 1.529 5.270 1.00 0.00 H new ATOM 0 HA HIS A 33 13.297 1.221 5.219 1.00 0.00 H new ATOM 0 HB2 HIS A 33 11.117 0.062 6.998 1.00 0.00 H new ATOM 0 HB3 HIS A 33 12.747 -0.579 6.956 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.056 2.900 7.888 1.00 0.00 H new ATOM 0 HE1 HIS A 33 14.674 2.486 10.050 1.00 0.00 H new ATOM 0 HE2 HIS A 33 12.621 3.938 9.689 1.00 0.00 H new ATOM 552 N THR A 34 13.270 -0.880 3.823 1.00 0.00 N ATOM 553 CA THR A 34 13.291 -2.091 3.005 1.00 0.00 C ATOM 554 C THR A 34 13.731 -3.268 3.881 1.00 0.00 C ATOM 555 O THR A 34 14.917 -3.392 4.225 1.00 0.00 O ATOM 556 CB THR A 34 14.224 -1.934 1.770 1.00 0.00 C ATOM 557 OG1 THR A 34 13.764 -0.831 0.980 1.00 0.00 O ATOM 558 CG2 THR A 34 14.250 -3.202 0.887 1.00 0.00 C ATOM 0 H THR A 34 14.185 -0.442 3.934 1.00 0.00 H new ATOM 0 HA THR A 34 12.289 -2.276 2.617 1.00 0.00 H new ATOM 0 HB THR A 34 15.236 -1.764 2.138 1.00 0.00 H new ATOM 0 HG1 THR A 34 14.346 -0.722 0.199 1.00 0.00 H new ATOM 0 HG21 THR A 34 14.915 -3.041 0.039 1.00 0.00 H new ATOM 0 HG22 THR A 34 14.609 -4.047 1.474 1.00 0.00 H new ATOM 0 HG23 THR A 34 13.244 -3.413 0.524 1.00 0.00 H new ATOM 566 N LEU A 35 12.753 -4.092 4.285 1.00 0.00 N ATOM 567 CA LEU A 35 12.957 -5.189 5.251 1.00 0.00 C ATOM 568 C LEU A 35 12.828 -6.571 4.597 1.00 0.00 C ATOM 569 O LEU A 35 12.377 -6.704 3.450 1.00 0.00 O ATOM 570 CB LEU A 35 11.946 -5.083 6.437 1.00 0.00 C ATOM 571 CG LEU A 35 10.419 -5.103 6.069 1.00 0.00 C ATOM 572 CD1 LEU A 35 9.582 -5.709 7.203 1.00 0.00 C ATOM 573 CD2 LEU A 35 9.902 -3.694 5.712 1.00 0.00 C ATOM 0 H LEU A 35 11.792 -4.018 3.951 1.00 0.00 H new ATOM 0 HA LEU A 35 13.975 -5.084 5.627 1.00 0.00 H new ATOM 0 HB2 LEU A 35 12.141 -5.906 7.124 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.153 -4.160 6.979 1.00 0.00 H new ATOM 0 HG LEU A 35 10.310 -5.734 5.187 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.530 -5.709 6.919 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.908 -6.732 7.389 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.713 -5.117 8.109 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.842 -3.748 5.463 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.041 -3.029 6.564 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.457 -3.309 4.856 1.00 0.00 H new ATOM 585 N TRP A 36 13.239 -7.587 5.380 1.00 0.00 N ATOM 586 CA TRP A 36 13.106 -9.010 5.035 1.00 0.00 C ATOM 587 C TRP A 36 11.613 -9.413 5.087 1.00 0.00 C ATOM 588 O TRP A 36 10.959 -9.254 6.129 1.00 0.00 O ATOM 589 CB TRP A 36 13.938 -9.884 6.017 1.00 0.00 C ATOM 590 CG TRP A 36 15.313 -9.330 6.367 1.00 0.00 C ATOM 591 CD1 TRP A 36 15.737 -8.912 7.602 1.00 0.00 C ATOM 592 CD2 TRP A 36 16.429 -9.120 5.478 1.00 0.00 C ATOM 593 NE1 TRP A 36 17.039 -8.493 7.538 1.00 0.00 N ATOM 594 CE2 TRP A 36 17.485 -8.599 6.253 1.00 0.00 C ATOM 595 CE3 TRP A 36 16.643 -9.326 4.114 1.00 0.00 C ATOM 596 CZ2 TRP A 36 18.727 -8.282 5.708 1.00 0.00 C ATOM 597 CZ3 TRP A 36 17.876 -9.011 3.575 1.00 0.00 C ATOM 598 CH2 TRP A 36 18.905 -8.493 4.370 1.00 0.00 C ATOM 0 H TRP A 36 13.681 -7.436 6.287 1.00 0.00 H new ATOM 0 HA TRP A 36 13.487 -9.173 4.027 1.00 0.00 H new ATOM 0 HB2 TRP A 36 13.369 -10.010 6.938 1.00 0.00 H new ATOM 0 HB3 TRP A 36 14.063 -10.875 5.581 1.00 0.00 H new ATOM 0 HD1 TRP A 36 15.131 -8.913 8.496 1.00 0.00 H new ATOM 0 HE1 TRP A 36 17.589 -8.155 8.327 1.00 0.00 H new ATOM 0 HE3 TRP A 36 15.857 -9.725 3.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 19.521 -7.883 6.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 18.049 -9.167 2.520 1.00 0.00 H new ATOM 0 HH2 TRP A 36 19.857 -8.256 3.918 1.00 0.00 H new ATOM 609 N ALA A 37 11.094 -9.920 3.960 1.00 0.00 N ATOM 610 CA ALA A 37 9.666 -10.257 3.802 1.00 0.00 C ATOM 611 C ALA A 37 9.458 -11.549 3.021 1.00 0.00 C ATOM 612 O ALA A 37 10.405 -12.136 2.493 1.00 0.00 O ATOM 613 CB ALA A 37 8.945 -9.113 3.102 1.00 0.00 C ATOM 0 H ALA A 37 11.652 -10.110 3.128 1.00 0.00 H new ATOM 0 HA ALA A 37 9.254 -10.409 4.799 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.891 -9.364 2.986 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.039 -8.205 3.698 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.389 -8.950 2.120 1.00 0.00 H new ATOM 619 N SER A 38 8.197 -12.004 2.984 1.00 0.00 N ATOM 620 CA SER A 38 7.754 -13.150 2.186 1.00 0.00 C ATOM 621 C SER A 38 6.483 -12.739 1.416 1.00 0.00 C ATOM 622 O SER A 38 5.374 -12.802 1.961 1.00 0.00 O ATOM 623 CB SER A 38 7.440 -14.341 3.131 1.00 0.00 C ATOM 624 OG SER A 38 8.392 -14.434 4.165 1.00 0.00 O ATOM 0 H SER A 38 7.443 -11.575 3.520 1.00 0.00 H new ATOM 0 HA SER A 38 8.531 -13.452 1.484 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.445 -14.217 3.559 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.428 -15.269 2.559 1.00 0.00 H new ATOM 0 HG SER A 38 8.170 -15.191 4.747 1.00 0.00 H new ATOM 630 N VAL A 39 6.645 -12.291 0.165 1.00 0.00 N ATOM 631 CA VAL A 39 5.531 -11.781 -0.653 1.00 0.00 C ATOM 632 C VAL A 39 4.916 -12.941 -1.479 1.00 0.00 C ATOM 633 O VAL A 39 5.407 -13.304 -2.559 1.00 0.00 O ATOM 634 CB VAL A 39 5.993 -10.568 -1.556 1.00 0.00 C ATOM 635 CG1 VAL A 39 7.279 -10.891 -2.361 1.00 0.00 C ATOM 636 CG2 VAL A 39 4.846 -10.081 -2.480 1.00 0.00 C ATOM 0 H VAL A 39 7.547 -12.271 -0.310 1.00 0.00 H new ATOM 0 HA VAL A 39 4.752 -11.390 0.002 1.00 0.00 H new ATOM 0 HB VAL A 39 6.244 -9.748 -0.883 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.556 -10.027 -2.966 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.090 -11.127 -1.672 1.00 0.00 H new ATOM 0 HG13 VAL A 39 7.096 -11.746 -3.012 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.197 -9.247 -3.087 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.532 -10.897 -3.131 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.002 -9.757 -1.872 1.00 0.00 H new ATOM 646 N ASN A 40 3.854 -13.555 -0.923 1.00 0.00 N ATOM 647 CA ASN A 40 3.194 -14.746 -1.497 1.00 0.00 C ATOM 648 C ASN A 40 1.771 -14.383 -1.949 1.00 0.00 C ATOM 649 O ASN A 40 0.948 -13.964 -1.128 1.00 0.00 O ATOM 650 CB ASN A 40 3.128 -15.898 -0.452 1.00 0.00 C ATOM 651 CG ASN A 40 4.510 -16.373 0.003 1.00 0.00 C ATOM 652 OD1 ASN A 40 5.111 -17.257 -0.608 1.00 0.00 O ATOM 653 ND2 ASN A 40 5.030 -15.791 1.079 1.00 0.00 N ATOM 0 H ASN A 40 3.425 -13.236 -0.054 1.00 0.00 H new ATOM 0 HA ASN A 40 3.778 -15.084 -2.353 1.00 0.00 H new ATOM 0 HB2 ASN A 40 2.562 -15.561 0.416 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.584 -16.739 -0.881 1.00 0.00 H new ATOM 0 HD21 ASN A 40 5.949 -16.074 1.418 1.00 0.00 H new ATOM 0 HD22 ASN A 40 4.510 -15.061 1.566 1.00 0.00 H new ATOM 660 N MET A 41 1.488 -14.548 -3.246 1.00 0.00 N ATOM 661 CA MET A 41 0.139 -14.349 -3.803 1.00 0.00 C ATOM 662 C MET A 41 -0.749 -15.556 -3.457 1.00 0.00 C ATOM 663 O MET A 41 -0.254 -16.686 -3.325 1.00 0.00 O ATOM 664 CB MET A 41 0.192 -14.153 -5.342 1.00 0.00 C ATOM 665 CG MET A 41 1.179 -13.081 -5.814 1.00 0.00 C ATOM 666 SD MET A 41 0.976 -12.637 -7.553 1.00 0.00 S ATOM 667 CE MET A 41 -0.571 -11.724 -7.516 1.00 0.00 C ATOM 0 H MET A 41 2.183 -14.822 -3.940 1.00 0.00 H new ATOM 0 HA MET A 41 -0.284 -13.447 -3.362 1.00 0.00 H new ATOM 0 HB2 MET A 41 0.457 -15.102 -5.807 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.805 -13.892 -5.696 1.00 0.00 H new ATOM 0 HG2 MET A 41 1.055 -12.188 -5.202 1.00 0.00 H new ATOM 0 HG3 MET A 41 2.196 -13.438 -5.654 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.260 -12.145 -8.248 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.011 -11.794 -6.521 1.00 0.00 H new ATOM 0 HE3 MET A 41 -0.382 -10.678 -7.756 1.00 0.00 H new ATOM 677 N VAL A 42 -2.055 -15.308 -3.331 1.00 0.00 N ATOM 678 CA VAL A 42 -3.029 -16.328 -2.943 1.00 0.00 C ATOM 679 C VAL A 42 -3.454 -17.134 -4.184 1.00 0.00 C ATOM 680 O VAL A 42 -3.672 -16.569 -5.267 1.00 0.00 O ATOM 681 CB VAL A 42 -4.284 -15.712 -2.200 1.00 0.00 C ATOM 682 CG1 VAL A 42 -3.851 -14.818 -1.002 1.00 0.00 C ATOM 683 CG2 VAL A 42 -5.242 -14.962 -3.167 1.00 0.00 C ATOM 0 H VAL A 42 -2.467 -14.390 -3.496 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.550 -16.997 -2.228 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.854 -16.549 -1.797 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.736 -14.411 -0.513 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.285 -15.416 -0.288 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.228 -14.000 -1.365 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.085 -14.560 -2.605 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.705 -14.145 -3.650 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.609 -15.654 -3.925 1.00 0.00 H new ATOM 693 N SER A 43 -3.527 -18.458 -4.018 1.00 0.00 N ATOM 694 CA SER A 43 -3.931 -19.396 -5.073 1.00 0.00 C ATOM 695 C SER A 43 -5.461 -19.603 -5.022 1.00 0.00 C ATOM 696 O SER A 43 -6.161 -18.997 -4.191 1.00 0.00 O ATOM 697 CB SER A 43 -3.149 -20.727 -4.878 1.00 0.00 C ATOM 698 OG SER A 43 -3.447 -21.693 -5.879 1.00 0.00 O ATOM 0 H SER A 43 -3.304 -18.916 -3.134 1.00 0.00 H new ATOM 0 HA SER A 43 -3.691 -19.001 -6.060 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.079 -20.519 -4.887 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.385 -21.141 -3.898 1.00 0.00 H new ATOM 0 HG SER A 43 -2.929 -22.508 -5.711 1.00 0.00 H new ATOM 704 N SER A 44 -5.965 -20.459 -5.920 1.00 0.00 N ATOM 705 CA SER A 44 -7.394 -20.802 -6.019 1.00 0.00 C ATOM 706 C SER A 44 -7.912 -21.443 -4.713 1.00 0.00 C ATOM 707 O SER A 44 -9.057 -21.213 -4.317 1.00 0.00 O ATOM 708 CB SER A 44 -7.611 -21.744 -7.224 1.00 0.00 C ATOM 709 OG SER A 44 -6.793 -22.894 -7.137 1.00 0.00 O ATOM 0 H SER A 44 -5.386 -20.940 -6.608 1.00 0.00 H new ATOM 0 HA SER A 44 -7.965 -19.887 -6.173 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.658 -22.044 -7.269 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.392 -21.210 -8.149 1.00 0.00 H new ATOM 0 HG SER A 44 -6.955 -23.470 -7.913 1.00 0.00 H new ATOM 715 N LYS A 45 -7.016 -22.206 -4.048 1.00 0.00 N ATOM 716 CA LYS A 45 -7.268 -22.852 -2.737 1.00 0.00 C ATOM 717 C LYS A 45 -7.744 -21.825 -1.682 1.00 0.00 C ATOM 718 O LYS A 45 -8.639 -22.111 -0.894 1.00 0.00 O ATOM 719 CB LYS A 45 -5.969 -23.556 -2.247 1.00 0.00 C ATOM 720 CG LYS A 45 -4.753 -22.605 -2.085 1.00 0.00 C ATOM 721 CD LYS A 45 -3.468 -23.300 -1.597 1.00 0.00 C ATOM 722 CE LYS A 45 -2.962 -24.381 -2.568 1.00 0.00 C ATOM 723 NZ LYS A 45 -1.723 -25.032 -2.086 1.00 0.00 N ATOM 0 H LYS A 45 -6.082 -22.394 -4.412 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.061 -23.589 -2.865 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.169 -24.038 -1.290 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.708 -24.345 -2.953 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.552 -22.125 -3.043 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.015 -21.815 -1.381 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.688 -22.552 -1.457 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.654 -23.753 -0.623 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.737 -25.135 -2.705 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.778 -23.932 -3.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.420 -25.752 -2.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.974 -24.318 -1.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.903 -25.484 -1.167 1.00 0.00 H new ATOM 737 N GLU A 46 -7.122 -20.631 -1.708 1.00 0.00 N ATOM 738 CA GLU A 46 -7.389 -19.542 -0.753 1.00 0.00 C ATOM 739 C GLU A 46 -8.772 -18.942 -1.001 1.00 0.00 C ATOM 740 O GLU A 46 -9.516 -18.666 -0.058 1.00 0.00 O ATOM 741 CB GLU A 46 -6.298 -18.461 -0.903 1.00 0.00 C ATOM 742 CG GLU A 46 -4.865 -18.968 -0.656 1.00 0.00 C ATOM 743 CD GLU A 46 -4.593 -19.319 0.810 1.00 0.00 C ATOM 744 OE1 GLU A 46 -4.486 -18.376 1.636 1.00 0.00 O ATOM 745 OE2 GLU A 46 -4.487 -20.515 1.153 1.00 0.00 O ATOM 0 H GLU A 46 -6.412 -20.394 -2.401 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.370 -19.938 0.262 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.354 -18.042 -1.907 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.509 -17.650 -0.206 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.687 -19.849 -1.273 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.156 -18.205 -0.978 1.00 0.00 H new ATOM 752 N ALA A 47 -9.088 -18.734 -2.296 1.00 0.00 N ATOM 753 CA ALA A 47 -10.405 -18.248 -2.742 1.00 0.00 C ATOM 754 C ALA A 47 -11.544 -19.226 -2.354 1.00 0.00 C ATOM 755 O ALA A 47 -12.673 -18.802 -2.105 1.00 0.00 O ATOM 756 CB ALA A 47 -10.390 -17.993 -4.257 1.00 0.00 C ATOM 0 H ALA A 47 -8.434 -18.899 -3.061 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.605 -17.307 -2.229 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -11.369 -17.634 -4.575 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.634 -17.243 -4.492 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.156 -18.920 -4.780 1.00 0.00 H new ATOM 762 N ILE A 48 -11.226 -20.538 -2.325 1.00 0.00 N ATOM 763 CA ILE A 48 -12.168 -21.594 -1.877 1.00 0.00 C ATOM 764 C ILE A 48 -12.345 -21.548 -0.338 1.00 0.00 C ATOM 765 O ILE A 48 -13.476 -21.616 0.168 1.00 0.00 O ATOM 766 CB ILE A 48 -11.680 -23.033 -2.323 1.00 0.00 C ATOM 767 CG1 ILE A 48 -11.570 -23.125 -3.876 1.00 0.00 C ATOM 768 CG2 ILE A 48 -12.607 -24.157 -1.777 1.00 0.00 C ATOM 769 CD1 ILE A 48 -10.941 -24.410 -4.405 1.00 0.00 C ATOM 0 H ILE A 48 -10.315 -20.897 -2.609 1.00 0.00 H new ATOM 0 HA ILE A 48 -13.129 -21.400 -2.352 1.00 0.00 H new ATOM 0 HB ILE A 48 -10.690 -23.184 -1.892 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -12.568 -23.025 -4.302 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -10.985 -22.278 -4.234 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -12.236 -25.127 -2.107 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -12.617 -24.123 -0.688 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -13.619 -24.009 -2.154 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -10.909 -24.378 -5.494 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -9.928 -24.506 -4.015 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -11.536 -25.265 -4.084 1.00 0.00 H new ATOM 781 N SER A 49 -11.210 -21.418 0.385 1.00 0.00 N ATOM 782 CA SER A 49 -11.170 -21.436 1.868 1.00 0.00 C ATOM 783 C SER A 49 -11.945 -20.255 2.476 1.00 0.00 C ATOM 784 O SER A 49 -12.606 -20.401 3.508 1.00 0.00 O ATOM 785 CB SER A 49 -9.704 -21.420 2.358 1.00 0.00 C ATOM 786 OG SER A 49 -8.993 -22.549 1.880 1.00 0.00 O ATOM 0 H SER A 49 -10.292 -21.297 -0.043 1.00 0.00 H new ATOM 0 HA SER A 49 -11.655 -22.354 2.201 1.00 0.00 H new ATOM 0 HB2 SER A 49 -9.214 -20.507 2.018 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.682 -21.407 3.448 1.00 0.00 H new ATOM 0 HG SER A 49 -8.826 -22.448 0.920 1.00 0.00 H new ATOM 792 N SER A 50 -11.859 -19.098 1.812 1.00 0.00 N ATOM 793 CA SER A 50 -12.524 -17.867 2.255 1.00 0.00 C ATOM 794 C SER A 50 -13.966 -17.822 1.714 1.00 0.00 C ATOM 795 O SER A 50 -14.919 -17.579 2.467 1.00 0.00 O ATOM 796 CB SER A 50 -11.708 -16.649 1.779 1.00 0.00 C ATOM 797 OG SER A 50 -11.580 -16.621 0.363 1.00 0.00 O ATOM 0 H SER A 50 -11.325 -18.988 0.950 1.00 0.00 H new ATOM 0 HA SER A 50 -12.577 -17.845 3.344 1.00 0.00 H new ATOM 0 HB2 SER A 50 -12.191 -15.733 2.119 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.718 -16.675 2.233 1.00 0.00 H new ATOM 0 HG SER A 50 -10.882 -17.250 0.085 1.00 0.00 H new ATOM 803 N GLY A 51 -14.110 -18.089 0.403 1.00 0.00 N ATOM 804 CA GLY A 51 -15.407 -18.070 -0.279 1.00 0.00 C ATOM 805 C GLY A 51 -15.465 -16.968 -1.326 1.00 0.00 C ATOM 806 O GLY A 51 -15.555 -17.237 -2.522 1.00 0.00 O ATOM 0 H GLY A 51 -13.328 -18.323 -0.209 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -15.585 -19.035 -0.753 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -16.202 -17.923 0.452 1.00 0.00 H new ATOM 810 N ALA A 52 -15.389 -15.713 -0.859 1.00 0.00 N ATOM 811 CA ALA A 52 -15.427 -14.505 -1.722 1.00 0.00 C ATOM 812 C ALA A 52 -14.498 -13.389 -1.181 1.00 0.00 C ATOM 813 O ALA A 52 -14.335 -12.349 -1.831 1.00 0.00 O ATOM 814 CB ALA A 52 -16.883 -13.999 -1.854 1.00 0.00 C ATOM 0 H ALA A 52 -15.299 -15.498 0.134 1.00 0.00 H new ATOM 0 HA ALA A 52 -15.057 -14.779 -2.710 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.904 -13.113 -2.488 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -17.500 -14.779 -2.300 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -17.272 -13.748 -0.867 1.00 0.00 H new ATOM 820 N GLU A 53 -13.900 -13.610 0.012 1.00 0.00 N ATOM 821 CA GLU A 53 -13.000 -12.629 0.656 1.00 0.00 C ATOM 822 C GLU A 53 -11.658 -12.563 -0.104 1.00 0.00 C ATOM 823 O GLU A 53 -11.351 -11.563 -0.758 1.00 0.00 O ATOM 824 CB GLU A 53 -12.786 -13.017 2.141 1.00 0.00 C ATOM 825 CG GLU A 53 -11.797 -12.133 2.923 1.00 0.00 C ATOM 826 CD GLU A 53 -11.490 -12.687 4.319 1.00 0.00 C ATOM 827 OE1 GLU A 53 -10.665 -13.621 4.433 1.00 0.00 O ATOM 828 OE2 GLU A 53 -12.080 -12.212 5.312 1.00 0.00 O ATOM 0 H GLU A 53 -14.027 -14.467 0.551 1.00 0.00 H new ATOM 0 HA GLU A 53 -13.454 -11.638 0.621 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -13.750 -12.989 2.648 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -12.435 -14.048 2.182 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -10.869 -12.045 2.358 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -12.209 -11.128 3.017 1.00 0.00 H new ATOM 835 N LEU A 54 -10.869 -13.651 -0.016 1.00 0.00 N ATOM 836 CA LEU A 54 -9.606 -13.787 -0.754 1.00 0.00 C ATOM 837 C LEU A 54 -9.939 -14.131 -2.211 1.00 0.00 C ATOM 838 O LEU A 54 -10.600 -15.129 -2.468 1.00 0.00 O ATOM 839 CB LEU A 54 -8.705 -14.889 -0.123 1.00 0.00 C ATOM 840 CG LEU A 54 -8.341 -14.699 1.385 1.00 0.00 C ATOM 841 CD1 LEU A 54 -7.552 -15.911 1.923 1.00 0.00 C ATOM 842 CD2 LEU A 54 -7.579 -13.371 1.624 1.00 0.00 C ATOM 0 H LEU A 54 -11.092 -14.457 0.568 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.050 -12.851 -0.707 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.208 -15.850 -0.236 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.779 -14.944 -0.695 1.00 0.00 H new ATOM 0 HG LEU A 54 -9.274 -14.638 1.945 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.312 -15.751 2.974 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -8.156 -16.813 1.821 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.630 -16.026 1.354 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.342 -13.273 2.683 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.656 -13.372 1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.202 -12.533 1.312 1.00 0.00 H new ATOM 854 N ALA A 55 -9.523 -13.270 -3.134 1.00 0.00 N ATOM 855 CA ALA A 55 -9.680 -13.481 -4.585 1.00 0.00 C ATOM 856 C ALA A 55 -8.290 -13.676 -5.180 1.00 0.00 C ATOM 857 O ALA A 55 -7.345 -13.062 -4.688 1.00 0.00 O ATOM 858 CB ALA A 55 -10.406 -12.284 -5.226 1.00 0.00 C ATOM 0 H ALA A 55 -9.060 -12.391 -2.901 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.289 -14.363 -4.782 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.514 -12.455 -6.297 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.392 -12.173 -4.775 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.827 -11.376 -5.060 1.00 0.00 H new ATOM 864 N ILE A 56 -8.165 -14.518 -6.215 1.00 0.00 N ATOM 865 CA ILE A 56 -6.857 -14.873 -6.794 1.00 0.00 C ATOM 866 C ILE A 56 -6.162 -13.596 -7.339 1.00 0.00 C ATOM 867 O ILE A 56 -6.693 -12.930 -8.231 1.00 0.00 O ATOM 868 CB ILE A 56 -7.013 -15.950 -7.933 1.00 0.00 C ATOM 869 CG1 ILE A 56 -7.854 -17.166 -7.421 1.00 0.00 C ATOM 870 CG2 ILE A 56 -5.632 -16.409 -8.473 1.00 0.00 C ATOM 871 CD1 ILE A 56 -8.237 -18.166 -8.502 1.00 0.00 C ATOM 0 H ILE A 56 -8.957 -14.969 -6.672 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.237 -15.310 -6.011 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.547 -15.489 -8.764 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.287 -17.685 -6.648 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -8.763 -16.791 -6.951 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.777 -17.152 -9.257 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.097 -15.551 -8.880 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.051 -16.847 -7.661 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -8.818 -18.975 -8.060 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -8.834 -17.666 -9.265 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -7.334 -18.574 -8.957 1.00 0.00 H new ATOM 883 N GLY A 57 -4.990 -13.253 -6.773 1.00 0.00 N ATOM 884 CA GLY A 57 -4.334 -11.955 -7.031 1.00 0.00 C ATOM 885 C GLY A 57 -4.203 -11.091 -5.777 1.00 0.00 C ATOM 886 O GLY A 57 -3.512 -10.060 -5.795 1.00 0.00 O ATOM 0 H GLY A 57 -4.476 -13.858 -6.132 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.343 -12.132 -7.448 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.904 -11.410 -7.783 1.00 0.00 H new ATOM 890 N THR A 58 -4.888 -11.505 -4.698 1.00 0.00 N ATOM 891 CA THR A 58 -4.641 -11.002 -3.334 1.00 0.00 C ATOM 892 C THR A 58 -3.255 -11.509 -2.887 1.00 0.00 C ATOM 893 O THR A 58 -2.837 -12.586 -3.302 1.00 0.00 O ATOM 894 CB THR A 58 -5.768 -11.480 -2.345 1.00 0.00 C ATOM 895 OG1 THR A 58 -7.037 -10.944 -2.764 1.00 0.00 O ATOM 896 CG2 THR A 58 -5.505 -11.105 -0.869 1.00 0.00 C ATOM 0 H THR A 58 -5.632 -12.201 -4.746 1.00 0.00 H new ATOM 0 HA THR A 58 -4.658 -9.912 -3.327 1.00 0.00 H new ATOM 0 HB THR A 58 -5.774 -12.569 -2.387 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.389 -11.478 -3.506 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.325 -11.468 -0.250 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.571 -11.560 -0.539 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.433 -10.021 -0.776 1.00 0.00 H new ATOM 904 N VAL A 59 -2.531 -10.729 -2.083 1.00 0.00 N ATOM 905 CA VAL A 59 -1.131 -11.008 -1.736 1.00 0.00 C ATOM 906 C VAL A 59 -0.945 -10.960 -0.209 1.00 0.00 C ATOM 907 O VAL A 59 -1.144 -9.915 0.407 1.00 0.00 O ATOM 908 CB VAL A 59 -0.147 -9.981 -2.424 1.00 0.00 C ATOM 909 CG1 VAL A 59 1.325 -10.402 -2.203 1.00 0.00 C ATOM 910 CG2 VAL A 59 -0.461 -9.812 -3.935 1.00 0.00 C ATOM 0 H VAL A 59 -2.898 -9.881 -1.651 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.891 -12.006 -2.103 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.298 -9.010 -1.952 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.986 -9.681 -2.685 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.538 -10.432 -1.135 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.490 -11.390 -2.634 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.236 -9.098 -4.374 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.360 -10.774 -4.437 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.480 -9.445 -4.056 1.00 0.00 H new ATOM 920 N ARG A 60 -0.578 -12.106 0.389 1.00 0.00 N ATOM 921 CA ARG A 60 -0.185 -12.201 1.806 1.00 0.00 C ATOM 922 C ARG A 60 1.322 -11.919 1.897 1.00 0.00 C ATOM 923 O ARG A 60 2.110 -12.580 1.219 1.00 0.00 O ATOM 924 CB ARG A 60 -0.464 -13.613 2.388 1.00 0.00 C ATOM 925 CG ARG A 60 -1.942 -14.057 2.423 1.00 0.00 C ATOM 926 CD ARG A 60 -2.085 -15.426 3.114 1.00 0.00 C ATOM 927 NE ARG A 60 -3.458 -15.962 3.104 1.00 0.00 N ATOM 928 CZ ARG A 60 -4.170 -16.268 4.197 1.00 0.00 C ATOM 929 NH1 ARG A 60 -3.756 -15.901 5.405 1.00 0.00 N ATOM 930 NH2 ARG A 60 -5.306 -16.933 4.067 1.00 0.00 N ATOM 0 H ARG A 60 -0.545 -13.000 -0.101 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.767 -11.481 2.380 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.099 -14.341 1.804 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.072 -13.648 3.404 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -2.537 -13.313 2.952 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.333 -14.114 1.407 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.424 -16.140 2.623 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.748 -15.337 4.147 1.00 0.00 H new ATOM 0 HE ARG A 60 -3.899 -16.111 2.197 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -2.886 -15.379 5.509 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.308 -16.141 6.228 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.633 -17.208 3.141 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -5.855 -17.171 4.893 1.00 0.00 H new ATOM 944 N ILE A 61 1.714 -10.966 2.743 1.00 0.00 N ATOM 945 CA ILE A 61 3.122 -10.534 2.865 1.00 0.00 C ATOM 946 C ILE A 61 3.563 -10.696 4.327 1.00 0.00 C ATOM 947 O ILE A 61 3.185 -9.913 5.195 1.00 0.00 O ATOM 948 CB ILE A 61 3.279 -9.051 2.363 1.00 0.00 C ATOM 949 CG1 ILE A 61 2.720 -8.924 0.898 1.00 0.00 C ATOM 950 CG2 ILE A 61 4.755 -8.574 2.452 1.00 0.00 C ATOM 951 CD1 ILE A 61 2.429 -7.515 0.426 1.00 0.00 C ATOM 0 H ILE A 61 1.075 -10.469 3.363 1.00 0.00 H new ATOM 0 HA ILE A 61 3.765 -11.153 2.239 1.00 0.00 H new ATOM 0 HB ILE A 61 2.698 -8.399 3.015 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.439 -9.375 0.214 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.802 -9.508 0.827 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.827 -7.546 2.097 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.092 -8.625 3.487 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.383 -9.216 1.834 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.049 -7.545 -0.595 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.683 -7.060 1.078 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.345 -6.925 0.455 1.00 0.00 H new ATOM 963 N TRP A 62 4.364 -11.736 4.576 1.00 0.00 N ATOM 964 CA TRP A 62 4.819 -12.112 5.923 1.00 0.00 C ATOM 965 C TRP A 62 6.130 -11.408 6.237 1.00 0.00 C ATOM 966 O TRP A 62 7.123 -11.604 5.543 1.00 0.00 O ATOM 967 CB TRP A 62 4.999 -13.653 6.034 1.00 0.00 C ATOM 968 CG TRP A 62 3.714 -14.449 6.003 1.00 0.00 C ATOM 969 CD1 TRP A 62 2.595 -14.216 5.246 1.00 0.00 C ATOM 970 CD2 TRP A 62 3.442 -15.636 6.757 1.00 0.00 C ATOM 971 NE1 TRP A 62 1.648 -15.161 5.510 1.00 0.00 N ATOM 972 CE2 TRP A 62 2.147 -16.058 6.424 1.00 0.00 C ATOM 973 CE3 TRP A 62 4.178 -16.380 7.680 1.00 0.00 C ATOM 974 CZ2 TRP A 62 1.565 -17.189 6.993 1.00 0.00 C ATOM 975 CZ3 TRP A 62 3.605 -17.500 8.248 1.00 0.00 C ATOM 976 CH2 TRP A 62 2.311 -17.900 7.897 1.00 0.00 C ATOM 0 H TRP A 62 4.720 -12.349 3.842 1.00 0.00 H new ATOM 0 HA TRP A 62 4.063 -11.804 6.645 1.00 0.00 H new ATOM 0 HB2 TRP A 62 5.637 -13.989 5.217 1.00 0.00 H new ATOM 0 HB3 TRP A 62 5.525 -13.877 6.962 1.00 0.00 H new ATOM 0 HD1 TRP A 62 2.480 -13.403 4.544 1.00 0.00 H new ATOM 0 HE1 TRP A 62 0.717 -15.197 5.095 1.00 0.00 H new ATOM 0 HE3 TRP A 62 5.182 -16.084 7.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 0.563 -17.494 6.731 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 4.163 -18.075 8.973 1.00 0.00 H new ATOM 0 HH2 TRP A 62 1.891 -18.787 8.348 1.00 0.00 H new ATOM 987 N ILE A 63 6.104 -10.569 7.270 1.00 0.00 N ATOM 988 CA ILE A 63 7.271 -9.818 7.755 1.00 0.00 C ATOM 989 C ILE A 63 7.376 -10.017 9.270 1.00 0.00 C ATOM 990 O ILE A 63 6.409 -10.453 9.876 1.00 0.00 O ATOM 991 CB ILE A 63 7.126 -8.285 7.439 1.00 0.00 C ATOM 992 CG1 ILE A 63 5.907 -7.648 8.182 1.00 0.00 C ATOM 993 CG2 ILE A 63 7.009 -8.047 5.921 1.00 0.00 C ATOM 994 CD1 ILE A 63 5.795 -6.141 8.035 1.00 0.00 C ATOM 0 H ILE A 63 5.257 -10.385 7.807 1.00 0.00 H new ATOM 0 HA ILE A 63 8.167 -10.184 7.253 1.00 0.00 H new ATOM 0 HB ILE A 63 8.029 -7.796 7.804 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.991 -8.105 7.808 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.976 -7.892 9.242 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.910 -6.979 5.727 1.00 0.00 H new ATOM 0 HG22 ILE A 63 7.902 -8.425 5.424 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.132 -8.569 5.537 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.922 -5.786 8.582 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.692 -5.669 8.436 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.691 -5.885 6.981 1.00 0.00 H new ATOM 1006 N ARG A 64 8.546 -9.756 9.880 1.00 0.00 N ATOM 1007 CA ARG A 64 8.631 -9.667 11.360 1.00 0.00 C ATOM 1008 C ARG A 64 7.730 -8.530 11.895 1.00 0.00 C ATOM 1009 O ARG A 64 7.621 -7.466 11.269 1.00 0.00 O ATOM 1010 CB ARG A 64 10.090 -9.503 11.863 1.00 0.00 C ATOM 1011 CG ARG A 64 10.971 -10.748 11.621 1.00 0.00 C ATOM 1012 CD ARG A 64 12.251 -10.785 12.476 1.00 0.00 C ATOM 1013 NE ARG A 64 13.217 -9.727 12.136 1.00 0.00 N ATOM 1014 CZ ARG A 64 14.407 -9.543 12.740 1.00 0.00 C ATOM 1015 NH1 ARG A 64 14.772 -10.286 13.775 1.00 0.00 N ATOM 1016 NH2 ARG A 64 15.216 -8.589 12.315 1.00 0.00 N ATOM 0 H ARG A 64 9.429 -9.605 9.391 1.00 0.00 H new ATOM 0 HA ARG A 64 8.267 -10.615 11.756 1.00 0.00 H new ATOM 0 HB2 ARG A 64 10.543 -8.646 11.365 1.00 0.00 H new ATOM 0 HB3 ARG A 64 10.075 -9.281 12.930 1.00 0.00 H new ATOM 0 HG2 ARG A 64 10.383 -11.642 11.827 1.00 0.00 H new ATOM 0 HG3 ARG A 64 11.249 -10.785 10.568 1.00 0.00 H new ATOM 0 HD2 ARG A 64 11.979 -10.693 13.527 1.00 0.00 H new ATOM 0 HD3 ARG A 64 12.731 -11.756 12.355 1.00 0.00 H new ATOM 0 HE ARG A 64 12.966 -9.084 11.385 1.00 0.00 H new ATOM 0 HH11 ARG A 64 14.148 -11.012 14.127 1.00 0.00 H new ATOM 0 HH12 ARG A 64 15.677 -10.132 14.219 1.00 0.00 H new ATOM 0 HH21 ARG A 64 14.939 -7.996 11.533 1.00 0.00 H new ATOM 0 HH22 ARG A 64 16.118 -8.446 12.769 1.00 0.00 H new ATOM 1030 N TYR A 65 7.081 -8.807 13.046 1.00 0.00 N ATOM 1031 CA TYR A 65 6.115 -7.907 13.715 1.00 0.00 C ATOM 1032 C TYR A 65 6.727 -6.501 13.944 1.00 0.00 C ATOM 1033 O TYR A 65 7.845 -6.384 14.460 1.00 0.00 O ATOM 1034 CB TYR A 65 5.686 -8.560 15.062 1.00 0.00 C ATOM 1035 CG TYR A 65 4.584 -7.824 15.857 1.00 0.00 C ATOM 1036 CD1 TYR A 65 4.858 -6.639 16.551 1.00 0.00 C ATOM 1037 CD2 TYR A 65 3.274 -8.312 15.921 1.00 0.00 C ATOM 1038 CE1 TYR A 65 3.888 -5.980 17.272 1.00 0.00 C ATOM 1039 CE2 TYR A 65 2.299 -7.646 16.647 1.00 0.00 C ATOM 1040 CZ TYR A 65 2.611 -6.479 17.315 1.00 0.00 C ATOM 1041 OH TYR A 65 1.643 -5.822 18.039 1.00 0.00 O ATOM 0 H TYR A 65 7.217 -9.684 13.549 1.00 0.00 H new ATOM 0 HA TYR A 65 5.240 -7.770 13.079 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.341 -9.574 14.857 1.00 0.00 H new ATOM 0 HB3 TYR A 65 6.568 -8.645 15.697 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.857 -6.231 16.520 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.019 -9.221 15.397 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.132 -5.072 17.803 1.00 0.00 H new ATOM 0 HE2 TYR A 65 1.295 -8.040 16.690 1.00 0.00 H new ATOM 0 HH TYR A 65 0.794 -6.306 17.965 1.00 0.00 H new ATOM 1051 N ARG A 66 5.975 -5.451 13.558 1.00 0.00 N ATOM 1052 CA ARG A 66 6.412 -4.049 13.700 1.00 0.00 C ATOM 1053 C ARG A 66 5.205 -3.097 13.818 1.00 0.00 C ATOM 1054 O ARG A 66 4.158 -3.323 13.206 1.00 0.00 O ATOM 1055 CB ARG A 66 7.355 -3.628 12.531 1.00 0.00 C ATOM 1056 CG ARG A 66 6.906 -4.070 11.128 1.00 0.00 C ATOM 1057 CD ARG A 66 7.947 -3.715 10.055 1.00 0.00 C ATOM 1058 NE ARG A 66 9.256 -4.338 10.329 1.00 0.00 N ATOM 1059 CZ ARG A 66 10.451 -3.765 10.121 1.00 0.00 C ATOM 1060 NH1 ARG A 66 10.540 -2.513 9.710 1.00 0.00 N ATOM 1061 NH2 ARG A 66 11.553 -4.454 10.351 1.00 0.00 N ATOM 0 H ARG A 66 5.050 -5.551 13.140 1.00 0.00 H new ATOM 0 HA ARG A 66 6.983 -3.973 14.625 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.451 -2.542 12.538 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.347 -4.037 12.722 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.733 -5.146 11.124 1.00 0.00 H new ATOM 0 HG3 ARG A 66 5.956 -3.594 10.884 1.00 0.00 H new ATOM 0 HD2 ARG A 66 7.587 -4.041 9.079 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.064 -2.632 10.007 1.00 0.00 H new ATOM 0 HE ARG A 66 9.252 -5.285 10.709 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.693 -1.968 9.547 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.456 -2.091 9.556 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.493 -5.416 10.685 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.465 -4.025 10.195 1.00 0.00 H new ATOM 1075 N LYS A 67 5.407 -2.015 14.596 1.00 0.00 N ATOM 1076 CA LYS A 67 4.380 -0.987 14.892 1.00 0.00 C ATOM 1077 C LYS A 67 4.284 0.072 13.769 1.00 0.00 C ATOM 1078 O LYS A 67 3.467 0.994 13.850 1.00 0.00 O ATOM 1079 CB LYS A 67 4.743 -0.262 16.221 1.00 0.00 C ATOM 1080 CG LYS A 67 5.064 -1.179 17.417 1.00 0.00 C ATOM 1081 CD LYS A 67 3.866 -2.042 17.856 1.00 0.00 C ATOM 1082 CE LYS A 67 4.158 -2.827 19.141 1.00 0.00 C ATOM 1083 NZ LYS A 67 4.452 -1.928 20.288 1.00 0.00 N ATOM 0 H LYS A 67 6.303 -1.824 15.046 1.00 0.00 H new ATOM 0 HA LYS A 67 3.419 -1.496 14.972 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.604 0.381 16.039 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.912 0.388 16.498 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.897 -1.831 17.154 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.391 -0.568 18.258 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.997 -1.402 18.012 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.610 -2.738 17.057 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.302 -3.456 19.384 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.006 -3.492 18.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.376 -2.463 21.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.416 -1.548 20.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.770 -1.143 20.297 1.00 0.00 H new ATOM 1097 N ASP A 68 5.097 -0.095 12.716 1.00 0.00 N ATOM 1098 CA ASP A 68 5.360 0.971 11.730 1.00 0.00 C ATOM 1099 C ASP A 68 4.357 0.910 10.562 1.00 0.00 C ATOM 1100 O ASP A 68 4.055 1.936 9.941 1.00 0.00 O ATOM 1101 CB ASP A 68 6.816 0.825 11.204 1.00 0.00 C ATOM 1102 CG ASP A 68 7.231 1.937 10.224 1.00 0.00 C ATOM 1103 OD1 ASP A 68 7.655 3.022 10.681 1.00 0.00 O ATOM 1104 OD2 ASP A 68 7.118 1.737 8.998 1.00 0.00 O ATOM 0 H ASP A 68 5.590 -0.967 12.522 1.00 0.00 H new ATOM 0 HA ASP A 68 5.239 1.940 12.215 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.501 0.825 12.052 1.00 0.00 H new ATOM 0 HB3 ASP A 68 6.920 -0.141 10.710 1.00 0.00 H new ATOM 1109 N ILE A 69 3.824 -0.293 10.292 1.00 0.00 N ATOM 1110 CA ILE A 69 2.927 -0.521 9.142 1.00 0.00 C ATOM 1111 C ILE A 69 1.536 0.055 9.449 1.00 0.00 C ATOM 1112 O ILE A 69 0.989 -0.187 10.530 1.00 0.00 O ATOM 1113 CB ILE A 69 2.771 -2.046 8.756 1.00 0.00 C ATOM 1114 CG1 ILE A 69 4.119 -2.822 8.898 1.00 0.00 C ATOM 1115 CG2 ILE A 69 2.190 -2.182 7.317 1.00 0.00 C ATOM 1116 CD1 ILE A 69 5.295 -2.236 8.138 1.00 0.00 C ATOM 0 H ILE A 69 3.998 -1.126 10.855 1.00 0.00 H new ATOM 0 HA ILE A 69 3.386 -0.017 8.291 1.00 0.00 H new ATOM 0 HB ILE A 69 2.070 -2.499 9.457 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.380 -2.871 9.955 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.965 -3.847 8.560 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.088 -3.237 7.064 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.212 -1.702 7.272 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.863 -1.702 6.606 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.179 -2.851 8.305 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.065 -2.213 7.073 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.486 -1.222 8.489 1.00 0.00 H new ATOM 1128 N ASN A 70 0.988 0.818 8.502 1.00 0.00 N ATOM 1129 CA ASN A 70 -0.382 1.355 8.583 1.00 0.00 C ATOM 1130 C ASN A 70 -1.136 0.990 7.292 1.00 0.00 C ATOM 1131 O ASN A 70 -0.522 0.551 6.318 1.00 0.00 O ATOM 1132 CB ASN A 70 -0.332 2.894 8.809 1.00 0.00 C ATOM 1133 CG ASN A 70 -1.683 3.497 9.214 1.00 0.00 C ATOM 1134 OD1 ASN A 70 -2.439 3.970 8.371 1.00 0.00 O ATOM 1135 ND2 ASN A 70 -2.015 3.439 10.500 1.00 0.00 N ATOM 0 H ASN A 70 1.481 1.086 7.650 1.00 0.00 H new ATOM 0 HA ASN A 70 -0.914 0.918 9.428 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.403 3.116 9.583 1.00 0.00 H new ATOM 0 HB3 ASN A 70 0.013 3.377 7.894 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -2.920 3.794 10.810 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -1.365 3.040 11.177 1.00 0.00 H new ATOM 1142 N ALA A 71 -2.462 1.168 7.299 1.00 0.00 N ATOM 1143 CA ALA A 71 -3.315 0.914 6.122 1.00 0.00 C ATOM 1144 C ALA A 71 -3.070 1.955 5.005 1.00 0.00 C ATOM 1145 O ALA A 71 -3.398 1.718 3.832 1.00 0.00 O ATOM 1146 CB ALA A 71 -4.786 0.900 6.550 1.00 0.00 C ATOM 0 H ALA A 71 -2.978 1.492 8.117 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.054 -0.060 5.709 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.416 0.712 5.681 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.943 0.113 7.288 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.047 1.864 6.986 1.00 0.00 H new ATOM 1152 N THR A 72 -2.490 3.108 5.393 1.00 0.00 N ATOM 1153 CA THR A 72 -2.092 4.178 4.463 1.00 0.00 C ATOM 1154 C THR A 72 -0.688 3.919 3.866 1.00 0.00 C ATOM 1155 O THR A 72 -0.155 4.763 3.145 1.00 0.00 O ATOM 1156 CB THR A 72 -2.114 5.571 5.179 1.00 0.00 C ATOM 1157 OG1 THR A 72 -1.227 5.543 6.309 1.00 0.00 O ATOM 1158 CG2 THR A 72 -3.532 5.959 5.646 1.00 0.00 C ATOM 0 H THR A 72 -2.284 3.322 6.369 1.00 0.00 H new ATOM 0 HA THR A 72 -2.815 4.183 3.647 1.00 0.00 H new ATOM 0 HB THR A 72 -1.786 6.320 4.458 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.648 5.049 7.043 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.500 6.932 6.137 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.198 6.009 4.784 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.902 5.211 6.347 1.00 0.00 H new ATOM 1166 N SER A 73 -0.080 2.771 4.211 1.00 0.00 N ATOM 1167 CA SER A 73 1.195 2.317 3.628 1.00 0.00 C ATOM 1168 C SER A 73 0.916 1.380 2.440 1.00 0.00 C ATOM 1169 O SER A 73 -0.187 0.837 2.319 1.00 0.00 O ATOM 1170 CB SER A 73 2.035 1.589 4.707 1.00 0.00 C ATOM 1171 OG SER A 73 2.189 2.396 5.869 1.00 0.00 O ATOM 0 H SER A 73 -0.461 2.129 4.906 1.00 0.00 H new ATOM 0 HA SER A 73 1.759 3.179 3.270 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.552 0.649 4.975 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.016 1.339 4.302 1.00 0.00 H new ATOM 0 HG SER A 73 2.848 1.986 6.467 1.00 0.00 H new ATOM 1177 N ARG A 74 1.908 1.214 1.557 1.00 0.00 N ATOM 1178 CA ARG A 74 1.893 0.205 0.484 1.00 0.00 C ATOM 1179 C ARG A 74 3.228 -0.541 0.483 1.00 0.00 C ATOM 1180 O ARG A 74 4.208 -0.095 1.098 1.00 0.00 O ATOM 1181 CB ARG A 74 1.622 0.822 -0.916 1.00 0.00 C ATOM 1182 CG ARG A 74 0.231 1.454 -1.094 1.00 0.00 C ATOM 1183 CD ARG A 74 -0.136 1.683 -2.567 1.00 0.00 C ATOM 1184 NE ARG A 74 0.806 2.537 -3.304 1.00 0.00 N ATOM 1185 CZ ARG A 74 0.634 2.927 -4.578 1.00 0.00 C ATOM 1186 NH1 ARG A 74 -0.478 2.632 -5.243 1.00 0.00 N ATOM 1187 NH2 ARG A 74 1.561 3.652 -5.162 1.00 0.00 N ATOM 0 H ARG A 74 2.755 1.782 1.565 1.00 0.00 H new ATOM 0 HA ARG A 74 1.072 -0.483 0.685 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.377 1.583 -1.113 1.00 0.00 H new ATOM 0 HB3 ARG A 74 1.749 0.044 -1.669 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.517 0.809 -0.634 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.199 2.406 -0.564 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -0.198 0.717 -3.067 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.128 2.132 -2.616 1.00 0.00 H new ATOM 0 HE ARG A 74 1.644 2.854 -2.817 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -1.219 2.101 -4.787 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -0.590 2.937 -6.210 1.00 0.00 H new ATOM 0 HH21 ARG A 74 2.402 3.914 -4.648 1.00 0.00 H new ATOM 0 HH22 ARG A 74 1.439 3.953 -6.129 1.00 0.00 H new ATOM 1201 N ILE A 75 3.256 -1.679 -0.213 1.00 0.00 N ATOM 1202 CA ILE A 75 4.393 -2.598 -0.211 1.00 0.00 C ATOM 1203 C ILE A 75 5.020 -2.692 -1.622 1.00 0.00 C ATOM 1204 O ILE A 75 4.492 -3.401 -2.480 1.00 0.00 O ATOM 1205 CB ILE A 75 3.910 -4.019 0.264 1.00 0.00 C ATOM 1206 CG1 ILE A 75 3.180 -3.959 1.648 1.00 0.00 C ATOM 1207 CG2 ILE A 75 5.082 -5.011 0.297 1.00 0.00 C ATOM 1208 CD1 ILE A 75 4.026 -3.462 2.808 1.00 0.00 C ATOM 0 H ILE A 75 2.482 -1.991 -0.799 1.00 0.00 H new ATOM 0 HA ILE A 75 5.153 -2.223 0.474 1.00 0.00 H new ATOM 0 HB ILE A 75 3.181 -4.375 -0.464 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.308 -3.312 1.552 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.812 -4.956 1.889 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.724 -5.986 0.628 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.510 -5.101 -0.701 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.844 -4.651 0.988 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.428 -3.458 3.719 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.885 -4.120 2.940 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.373 -2.450 2.598 1.00 0.00 H new ATOM 1220 N LYS A 76 6.124 -1.963 -1.870 1.00 0.00 N ATOM 1221 CA LYS A 76 6.863 -2.071 -3.147 1.00 0.00 C ATOM 1222 C LYS A 76 7.969 -3.122 -3.014 1.00 0.00 C ATOM 1223 O LYS A 76 8.962 -2.907 -2.315 1.00 0.00 O ATOM 1224 CB LYS A 76 7.450 -0.712 -3.596 1.00 0.00 C ATOM 1225 CG LYS A 76 8.103 -0.741 -4.994 1.00 0.00 C ATOM 1226 CD LYS A 76 8.614 0.645 -5.448 1.00 0.00 C ATOM 1227 CE LYS A 76 9.738 1.214 -4.560 1.00 0.00 C ATOM 1228 NZ LYS A 76 10.990 0.430 -4.661 1.00 0.00 N ATOM 0 H LYS A 76 6.524 -1.296 -1.209 1.00 0.00 H new ATOM 0 HA LYS A 76 6.159 -2.381 -3.919 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.655 0.034 -3.593 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.193 -0.390 -2.866 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.935 -1.445 -4.986 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.379 -1.111 -5.720 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.976 0.571 -6.473 1.00 0.00 H new ATOM 0 HD3 LYS A 76 7.779 1.346 -5.455 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.936 2.247 -4.846 1.00 0.00 H new ATOM 0 HE3 LYS A 76 9.405 1.229 -3.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 11.715 0.852 -4.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.811 -0.550 -4.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.325 0.436 -5.646 1.00 0.00 H new ATOM 1242 N VAL A 77 7.782 -4.249 -3.703 1.00 0.00 N ATOM 1243 CA VAL A 77 8.641 -5.433 -3.576 1.00 0.00 C ATOM 1244 C VAL A 77 10.011 -5.199 -4.243 1.00 0.00 C ATOM 1245 O VAL A 77 10.092 -4.950 -5.453 1.00 0.00 O ATOM 1246 CB VAL A 77 7.922 -6.693 -4.171 1.00 0.00 C ATOM 1247 CG1 VAL A 77 8.827 -7.943 -4.150 1.00 0.00 C ATOM 1248 CG2 VAL A 77 6.604 -6.956 -3.421 1.00 0.00 C ATOM 0 H VAL A 77 7.022 -4.369 -4.373 1.00 0.00 H new ATOM 0 HA VAL A 77 8.824 -5.615 -2.517 1.00 0.00 H new ATOM 0 HB VAL A 77 7.698 -6.482 -5.217 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.287 -8.791 -4.572 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.723 -7.753 -4.741 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.111 -8.169 -3.122 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.114 -7.833 -3.843 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.814 -7.130 -2.366 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.949 -6.091 -3.522 1.00 0.00 H new ATOM 1258 N SER A 78 11.066 -5.258 -3.416 1.00 0.00 N ATOM 1259 CA SER A 78 12.463 -5.041 -3.833 1.00 0.00 C ATOM 1260 C SER A 78 13.054 -6.274 -4.558 1.00 0.00 C ATOM 1261 O SER A 78 14.029 -6.148 -5.307 1.00 0.00 O ATOM 1262 CB SER A 78 13.293 -4.687 -2.587 1.00 0.00 C ATOM 1263 OG SER A 78 12.724 -3.576 -1.922 1.00 0.00 O ATOM 0 H SER A 78 10.972 -5.461 -2.421 1.00 0.00 H new ATOM 0 HA SER A 78 12.493 -4.221 -4.550 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.333 -5.542 -1.913 1.00 0.00 H new ATOM 0 HB3 SER A 78 14.319 -4.461 -2.877 1.00 0.00 H new ATOM 0 HG SER A 78 13.420 -2.908 -1.746 1.00 0.00 H new ATOM 1269 N THR A 79 12.451 -7.450 -4.317 1.00 0.00 N ATOM 1270 CA THR A 79 12.842 -8.718 -4.961 1.00 0.00 C ATOM 1271 C THR A 79 11.763 -9.778 -4.694 1.00 0.00 C ATOM 1272 O THR A 79 11.285 -9.902 -3.558 1.00 0.00 O ATOM 1273 CB THR A 79 14.255 -9.231 -4.497 1.00 0.00 C ATOM 1274 OG1 THR A 79 14.599 -10.425 -5.209 1.00 0.00 O ATOM 1275 CG2 THR A 79 14.348 -9.488 -2.978 1.00 0.00 C ATOM 0 H THR A 79 11.673 -7.550 -3.665 1.00 0.00 H new ATOM 0 HA THR A 79 12.924 -8.533 -6.032 1.00 0.00 H new ATOM 0 HB THR A 79 14.962 -8.433 -4.724 1.00 0.00 H new ATOM 0 HG1 THR A 79 15.480 -10.738 -4.916 1.00 0.00 H new ATOM 0 HG21 THR A 79 15.349 -9.840 -2.729 1.00 0.00 H new ATOM 0 HG22 THR A 79 14.144 -8.563 -2.439 1.00 0.00 H new ATOM 0 HG23 THR A 79 13.617 -10.244 -2.691 1.00 0.00 H new ATOM 1283 N GLY A 80 11.349 -10.501 -5.753 1.00 0.00 N ATOM 1284 CA GLY A 80 10.295 -11.512 -5.650 1.00 0.00 C ATOM 1285 C GLY A 80 9.537 -11.715 -6.957 1.00 0.00 C ATOM 1286 O GLY A 80 10.019 -11.293 -8.014 1.00 0.00 O ATOM 0 H GLY A 80 11.735 -10.398 -6.691 1.00 0.00 H new ATOM 0 HA2 GLY A 80 10.737 -12.460 -5.341 1.00 0.00 H new ATOM 0 HA3 GLY A 80 9.592 -11.219 -4.870 1.00 0.00 H new ATOM 1290 N PRO A 81 8.327 -12.367 -6.917 1.00 0.00 N ATOM 1291 CA PRO A 81 7.485 -12.594 -8.123 1.00 0.00 C ATOM 1292 C PRO A 81 6.739 -11.313 -8.561 1.00 0.00 C ATOM 1293 O PRO A 81 6.237 -11.217 -9.685 1.00 0.00 O ATOM 1294 CB PRO A 81 6.500 -13.691 -7.647 1.00 0.00 C ATOM 1295 CG PRO A 81 6.328 -13.408 -6.181 1.00 0.00 C ATOM 1296 CD PRO A 81 7.688 -12.944 -5.693 1.00 0.00 C ATOM 0 HA PRO A 81 8.066 -12.881 -9.000 1.00 0.00 H new ATOM 0 HB2 PRO A 81 5.551 -13.634 -8.179 1.00 0.00 H new ATOM 0 HB3 PRO A 81 6.901 -14.690 -7.817 1.00 0.00 H new ATOM 0 HG2 PRO A 81 5.570 -12.642 -6.016 1.00 0.00 H new ATOM 0 HG3 PRO A 81 6.002 -14.300 -5.645 1.00 0.00 H new ATOM 0 HD2 PRO A 81 7.597 -12.201 -4.901 1.00 0.00 H new ATOM 0 HD3 PRO A 81 8.272 -13.771 -5.289 1.00 0.00 H new ATOM 1304 N LEU A 82 6.682 -10.331 -7.646 1.00 0.00 N ATOM 1305 CA LEU A 82 6.027 -9.031 -7.863 1.00 0.00 C ATOM 1306 C LEU A 82 7.060 -7.897 -7.725 1.00 0.00 C ATOM 1307 O LEU A 82 6.712 -6.767 -7.356 1.00 0.00 O ATOM 1308 CB LEU A 82 4.876 -8.866 -6.837 1.00 0.00 C ATOM 1309 CG LEU A 82 3.757 -9.951 -6.893 1.00 0.00 C ATOM 1310 CD1 LEU A 82 2.760 -9.769 -5.739 1.00 0.00 C ATOM 1311 CD2 LEU A 82 3.044 -9.959 -8.270 1.00 0.00 C ATOM 0 H LEU A 82 7.097 -10.420 -6.719 1.00 0.00 H new ATOM 0 HA LEU A 82 5.609 -8.986 -8.869 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.305 -8.865 -5.835 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.417 -7.889 -6.988 1.00 0.00 H new ATOM 0 HG LEU A 82 4.229 -10.926 -6.772 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.989 -10.537 -5.800 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.285 -9.856 -4.788 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.297 -8.785 -5.810 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.270 -10.727 -8.275 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.590 -8.985 -8.450 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.770 -10.171 -9.055 1.00 0.00 H new ATOM 1323 N ALA A 83 8.332 -8.213 -8.045 1.00 0.00 N ATOM 1324 CA ALA A 83 9.452 -7.264 -7.947 1.00 0.00 C ATOM 1325 C ALA A 83 9.263 -6.098 -8.942 1.00 0.00 C ATOM 1326 O ALA A 83 9.250 -6.312 -10.165 1.00 0.00 O ATOM 1327 CB ALA A 83 10.783 -7.991 -8.199 1.00 0.00 C ATOM 0 H ALA A 83 8.608 -9.136 -8.379 1.00 0.00 H new ATOM 0 HA ALA A 83 9.473 -6.846 -6.940 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.606 -7.280 -8.124 1.00 0.00 H new ATOM 0 HB2 ALA A 83 10.914 -8.777 -7.456 1.00 0.00 H new ATOM 0 HB3 ALA A 83 10.774 -8.432 -9.196 1.00 0.00 H new ATOM 1333 N GLY A 84 9.089 -4.878 -8.391 1.00 0.00 N ATOM 1334 CA GLY A 84 8.845 -3.666 -9.190 1.00 0.00 C ATOM 1335 C GLY A 84 7.392 -3.188 -9.121 1.00 0.00 C ATOM 1336 O GLY A 84 7.040 -2.168 -9.725 1.00 0.00 O ATOM 0 H GLY A 84 9.114 -4.710 -7.385 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.501 -2.869 -8.841 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.108 -3.863 -10.229 1.00 0.00 H new ATOM 1340 N ARG A 85 6.549 -3.924 -8.372 1.00 0.00 N ATOM 1341 CA ARG A 85 5.121 -3.581 -8.155 1.00 0.00 C ATOM 1342 C ARG A 85 4.917 -3.082 -6.716 1.00 0.00 C ATOM 1343 O ARG A 85 5.564 -3.584 -5.788 1.00 0.00 O ATOM 1344 CB ARG A 85 4.224 -4.817 -8.417 1.00 0.00 C ATOM 1345 CG ARG A 85 4.380 -5.428 -9.825 1.00 0.00 C ATOM 1346 CD ARG A 85 3.500 -6.669 -10.028 1.00 0.00 C ATOM 1347 NE ARG A 85 3.654 -7.258 -11.374 1.00 0.00 N ATOM 1348 CZ ARG A 85 2.848 -8.191 -11.909 1.00 0.00 C ATOM 1349 NH1 ARG A 85 1.814 -8.680 -11.230 1.00 0.00 N ATOM 1350 NH2 ARG A 85 3.091 -8.639 -13.134 1.00 0.00 N ATOM 0 H ARG A 85 6.836 -4.779 -7.896 1.00 0.00 H new ATOM 0 HA ARG A 85 4.840 -2.791 -8.852 1.00 0.00 H new ATOM 0 HB2 ARG A 85 4.453 -5.581 -7.675 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.182 -4.533 -8.271 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.123 -4.678 -10.573 1.00 0.00 H new ATOM 0 HG3 ARG A 85 5.424 -5.696 -9.988 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.753 -7.417 -9.277 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.456 -6.400 -9.870 1.00 0.00 H new ATOM 0 HE ARG A 85 4.435 -6.930 -11.943 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.621 -8.347 -10.285 1.00 0.00 H new ATOM 0 HH12 ARG A 85 1.214 -9.388 -11.654 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.884 -8.275 -13.662 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.484 -9.347 -13.548 1.00 0.00 H new ATOM 1364 N VAL A 86 4.013 -2.091 -6.543 1.00 0.00 N ATOM 1365 CA VAL A 86 3.687 -1.504 -5.229 1.00 0.00 C ATOM 1366 C VAL A 86 2.255 -1.936 -4.787 1.00 0.00 C ATOM 1367 O VAL A 86 1.240 -1.290 -5.092 1.00 0.00 O ATOM 1368 CB VAL A 86 3.907 0.065 -5.223 1.00 0.00 C ATOM 1369 CG1 VAL A 86 3.057 0.796 -6.294 1.00 0.00 C ATOM 1370 CG2 VAL A 86 3.705 0.662 -3.805 1.00 0.00 C ATOM 0 H VAL A 86 3.489 -1.677 -7.314 1.00 0.00 H new ATOM 0 HA VAL A 86 4.378 -1.895 -4.482 1.00 0.00 H new ATOM 0 HB VAL A 86 4.947 0.236 -5.502 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.250 1.868 -6.242 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.324 0.427 -7.284 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.999 0.608 -6.109 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.864 1.740 -3.838 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.691 0.455 -3.464 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.419 0.211 -3.115 1.00 0.00 H new ATOM 1380 N LEU A 87 2.221 -3.093 -4.100 1.00 0.00 N ATOM 1381 CA LEU A 87 0.996 -3.775 -3.652 1.00 0.00 C ATOM 1382 C LEU A 87 0.207 -2.899 -2.656 1.00 0.00 C ATOM 1383 O LEU A 87 0.767 -2.347 -1.711 1.00 0.00 O ATOM 1384 CB LEU A 87 1.321 -5.169 -3.016 1.00 0.00 C ATOM 1385 CG LEU A 87 1.969 -6.259 -3.942 1.00 0.00 C ATOM 1386 CD1 LEU A 87 1.117 -6.512 -5.186 1.00 0.00 C ATOM 1387 CD2 LEU A 87 3.419 -5.933 -4.334 1.00 0.00 C ATOM 0 H LEU A 87 3.070 -3.592 -3.835 1.00 0.00 H new ATOM 0 HA LEU A 87 0.374 -3.941 -4.531 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.991 -5.005 -2.172 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.395 -5.578 -2.613 1.00 0.00 H new ATOM 0 HG LEU A 87 2.002 -7.174 -3.350 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.594 -7.272 -5.805 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.128 -6.857 -4.885 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.021 -5.588 -5.755 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.810 -6.724 -4.974 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.446 -4.985 -4.872 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.031 -5.858 -3.435 1.00 0.00 H new ATOM 1399 N ASN A 88 -1.099 -2.790 -2.897 1.00 0.00 N ATOM 1400 CA ASN A 88 -2.011 -1.903 -2.149 1.00 0.00 C ATOM 1401 C ASN A 88 -2.686 -2.699 -1.025 1.00 0.00 C ATOM 1402 O ASN A 88 -3.250 -3.762 -1.294 1.00 0.00 O ATOM 1403 CB ASN A 88 -3.074 -1.330 -3.126 1.00 0.00 C ATOM 1404 CG ASN A 88 -2.478 -0.431 -4.218 1.00 0.00 C ATOM 1405 OD1 ASN A 88 -2.744 0.769 -4.271 1.00 0.00 O ATOM 1406 ND2 ASN A 88 -1.640 -0.996 -5.080 1.00 0.00 N ATOM 0 H ASN A 88 -1.569 -3.322 -3.629 1.00 0.00 H new ATOM 0 HA ASN A 88 -1.454 -1.077 -1.706 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.606 -2.156 -3.597 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.809 -0.760 -2.558 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -1.200 -0.433 -5.808 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -1.436 -1.993 -5.014 1.00 0.00 H new ATOM 1413 N ILE A 89 -2.676 -2.165 0.215 1.00 0.00 N ATOM 1414 CA ILE A 89 -3.200 -2.890 1.397 1.00 0.00 C ATOM 1415 C ILE A 89 -4.737 -2.851 1.399 1.00 0.00 C ATOM 1416 O ILE A 89 -5.346 -1.783 1.224 1.00 0.00 O ATOM 1417 CB ILE A 89 -2.648 -2.288 2.755 1.00 0.00 C ATOM 1418 CG1 ILE A 89 -1.085 -2.369 2.797 1.00 0.00 C ATOM 1419 CG2 ILE A 89 -3.278 -2.983 4.007 1.00 0.00 C ATOM 1420 CD1 ILE A 89 -0.454 -1.860 4.091 1.00 0.00 C ATOM 0 H ILE A 89 -2.312 -1.236 0.425 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.856 -3.922 1.327 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.944 -1.240 2.791 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.784 -3.406 2.645 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.682 -1.795 1.962 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.870 -2.538 4.914 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.360 -2.849 3.992 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.044 -4.047 3.988 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.630 -1.955 4.029 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.719 -0.813 4.238 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.822 -2.448 4.931 1.00 0.00 H new ATOM 1432 N ILE A 90 -5.354 -4.030 1.566 1.00 0.00 N ATOM 1433 CA ILE A 90 -6.818 -4.169 1.718 1.00 0.00 C ATOM 1434 C ILE A 90 -7.167 -4.266 3.223 1.00 0.00 C ATOM 1435 O ILE A 90 -6.810 -5.241 3.893 1.00 0.00 O ATOM 1436 CB ILE A 90 -7.413 -5.412 0.921 1.00 0.00 C ATOM 1437 CG1 ILE A 90 -6.387 -6.586 0.828 1.00 0.00 C ATOM 1438 CG2 ILE A 90 -7.914 -4.999 -0.487 1.00 0.00 C ATOM 1439 CD1 ILE A 90 -6.958 -7.903 0.338 1.00 0.00 C ATOM 0 H ILE A 90 -4.855 -4.919 1.600 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.280 -3.283 1.282 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.272 -5.771 1.488 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.578 -6.288 0.161 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.947 -6.743 1.813 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.313 -5.873 -1.002 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -8.697 -4.247 -0.389 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -7.085 -4.587 -1.062 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.168 -8.654 0.309 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.746 -8.232 1.015 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -7.371 -7.771 -0.662 1.00 0.00 H new ATOM 1451 N GLY A 91 -7.830 -3.220 3.738 1.00 0.00 N ATOM 1452 CA GLY A 91 -8.265 -3.157 5.132 1.00 0.00 C ATOM 1453 C GLY A 91 -7.223 -2.498 6.025 1.00 0.00 C ATOM 1454 O GLY A 91 -7.180 -1.268 6.116 1.00 0.00 O ATOM 0 H GLY A 91 -8.078 -2.394 3.194 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -9.200 -2.601 5.195 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.468 -4.165 5.494 1.00 0.00 H new ATOM 1458 N GLN A 92 -6.365 -3.324 6.646 1.00 0.00 N ATOM 1459 CA GLN A 92 -5.314 -2.881 7.583 1.00 0.00 C ATOM 1460 C GLN A 92 -4.329 -4.047 7.836 1.00 0.00 C ATOM 1461 O GLN A 92 -4.719 -5.208 7.679 1.00 0.00 O ATOM 1462 CB GLN A 92 -5.932 -2.381 8.930 1.00 0.00 C ATOM 1463 CG GLN A 92 -6.746 -3.438 9.710 1.00 0.00 C ATOM 1464 CD GLN A 92 -7.229 -2.934 11.070 1.00 0.00 C ATOM 1465 OE1 GLN A 92 -6.555 -3.109 12.086 1.00 0.00 O ATOM 1466 NE2 GLN A 92 -8.372 -2.266 11.096 1.00 0.00 N ATOM 0 H GLN A 92 -6.381 -4.335 6.510 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.777 -2.043 7.138 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -5.126 -2.021 9.570 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.579 -1.529 8.721 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -7.607 -3.739 9.113 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -6.132 -4.327 9.855 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -8.907 -2.138 10.237 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -8.717 -1.880 11.975 1.00 0.00 H new ATOM 1475 N PRO A 93 -3.038 -3.768 8.227 1.00 0.00 N ATOM 1476 CA PRO A 93 -2.045 -4.833 8.552 1.00 0.00 C ATOM 1477 C PRO A 93 -2.540 -5.753 9.702 1.00 0.00 C ATOM 1478 O PRO A 93 -2.851 -5.273 10.797 1.00 0.00 O ATOM 1479 CB PRO A 93 -0.775 -4.028 8.956 1.00 0.00 C ATOM 1480 CG PRO A 93 -1.285 -2.668 9.318 1.00 0.00 C ATOM 1481 CD PRO A 93 -2.429 -2.413 8.370 1.00 0.00 C ATOM 0 HA PRO A 93 -1.866 -5.513 7.719 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -0.261 -4.495 9.796 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -0.061 -3.977 8.134 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.618 -2.635 10.355 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -0.507 -1.913 9.209 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.138 -1.690 8.774 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -2.084 -2.020 7.414 1.00 0.00 H new ATOM 1489 N LEU A 94 -2.602 -7.071 9.429 1.00 0.00 N ATOM 1490 CA LEU A 94 -3.195 -8.081 10.345 1.00 0.00 C ATOM 1491 C LEU A 94 -2.063 -8.866 11.067 1.00 0.00 C ATOM 1492 O LEU A 94 -1.333 -9.614 10.415 1.00 0.00 O ATOM 1493 CB LEU A 94 -4.134 -9.030 9.518 1.00 0.00 C ATOM 1494 CG LEU A 94 -5.071 -10.038 10.286 1.00 0.00 C ATOM 1495 CD1 LEU A 94 -4.324 -11.287 10.800 1.00 0.00 C ATOM 1496 CD2 LEU A 94 -5.849 -9.338 11.421 1.00 0.00 C ATOM 0 H LEU A 94 -2.242 -7.473 8.564 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.794 -7.594 11.114 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -4.769 -8.402 8.893 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.504 -9.613 8.847 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.795 -10.396 9.554 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.024 -11.941 11.320 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.885 -11.821 9.957 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.534 -10.982 11.487 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.484 -10.064 11.928 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.145 -8.911 12.135 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.468 -8.544 11.002 1.00 0.00 H new ATOM 1508 N PRO A 95 -1.886 -8.692 12.421 1.00 0.00 N ATOM 1509 CA PRO A 95 -0.836 -9.403 13.206 1.00 0.00 C ATOM 1510 C PRO A 95 -1.102 -10.915 13.371 1.00 0.00 C ATOM 1511 O PRO A 95 -2.250 -11.373 13.326 1.00 0.00 O ATOM 1512 CB PRO A 95 -0.845 -8.672 14.588 1.00 0.00 C ATOM 1513 CG PRO A 95 -1.644 -7.421 14.356 1.00 0.00 C ATOM 1514 CD PRO A 95 -2.655 -7.773 13.292 1.00 0.00 C ATOM 0 HA PRO A 95 0.128 -9.365 12.698 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -1.298 -9.293 15.361 1.00 0.00 H new ATOM 0 HB3 PRO A 95 0.167 -8.439 14.919 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.137 -7.096 15.272 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -1.003 -6.602 14.031 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -3.538 -8.254 13.713 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.000 -6.892 12.751 1.00 0.00 H new ATOM 1522 N ASP A 96 -0.013 -11.662 13.599 1.00 0.00 N ATOM 1523 CA ASP A 96 -0.033 -13.122 13.831 1.00 0.00 C ATOM 1524 C ASP A 96 -0.643 -13.452 15.207 1.00 0.00 C ATOM 1525 O ASP A 96 -0.584 -12.625 16.118 1.00 0.00 O ATOM 1526 CB ASP A 96 1.415 -13.653 13.753 1.00 0.00 C ATOM 1527 CG ASP A 96 1.565 -15.149 14.052 1.00 0.00 C ATOM 1528 OD1 ASP A 96 0.981 -15.976 13.326 1.00 0.00 O ATOM 1529 OD2 ASP A 96 2.277 -15.495 15.000 1.00 0.00 O ATOM 0 H ASP A 96 0.926 -11.266 13.629 1.00 0.00 H new ATOM 0 HA ASP A 96 -0.650 -13.599 13.069 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.807 -13.455 12.756 1.00 0.00 H new ATOM 0 HB3 ASP A 96 2.032 -13.092 14.455 1.00 0.00 H new ATOM 1534 N ALA A 97 -1.192 -14.674 15.350 1.00 0.00 N ATOM 1535 CA ALA A 97 -1.813 -15.146 16.611 1.00 0.00 C ATOM 1536 C ALA A 97 -0.776 -15.298 17.748 1.00 0.00 C ATOM 1537 O ALA A 97 -1.082 -15.031 18.912 1.00 0.00 O ATOM 1538 CB ALA A 97 -2.551 -16.467 16.377 1.00 0.00 C ATOM 0 H ALA A 97 -1.219 -15.363 14.599 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.530 -14.388 16.927 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.002 -16.802 17.311 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.331 -16.321 15.629 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.846 -17.220 16.024 1.00 0.00 H new ATOM 1544 N ALA A 98 0.443 -15.749 17.400 1.00 0.00 N ATOM 1545 CA ALA A 98 1.589 -15.790 18.344 1.00 0.00 C ATOM 1546 C ALA A 98 2.325 -14.424 18.381 1.00 0.00 C ATOM 1547 O ALA A 98 3.259 -14.237 19.171 1.00 0.00 O ATOM 1548 CB ALA A 98 2.559 -16.925 17.952 1.00 0.00 C ATOM 0 H ALA A 98 0.667 -16.094 16.466 1.00 0.00 H new ATOM 0 HA ALA A 98 1.206 -15.989 19.345 1.00 0.00 H new ATOM 0 HB1 ALA A 98 3.396 -16.946 18.650 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.034 -17.880 17.985 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.933 -16.752 16.943 1.00 0.00 H new ATOM 1554 N ARG A 99 1.900 -13.500 17.478 1.00 0.00 N ATOM 1555 CA ARG A 99 2.439 -12.120 17.342 1.00 0.00 C ATOM 1556 C ARG A 99 3.942 -12.112 16.979 1.00 0.00 C ATOM 1557 O ARG A 99 4.641 -11.119 17.203 1.00 0.00 O ATOM 1558 CB ARG A 99 2.157 -11.239 18.609 1.00 0.00 C ATOM 1559 CG ARG A 99 0.704 -10.700 18.760 1.00 0.00 C ATOM 1560 CD ARG A 99 -0.308 -11.758 19.225 1.00 0.00 C ATOM 1561 NE ARG A 99 -1.665 -11.201 19.380 1.00 0.00 N ATOM 1562 CZ ARG A 99 -2.726 -11.850 19.894 1.00 0.00 C ATOM 1563 NH1 ARG A 99 -2.637 -13.111 20.306 1.00 0.00 N ATOM 1564 NH2 ARG A 99 -3.882 -11.215 19.986 1.00 0.00 N ATOM 0 H ARG A 99 1.156 -13.699 16.809 1.00 0.00 H new ATOM 0 HA ARG A 99 1.900 -11.668 16.509 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.399 -11.826 19.495 1.00 0.00 H new ATOM 0 HB3 ARG A 99 2.838 -10.388 18.594 1.00 0.00 H new ATOM 0 HG2 ARG A 99 0.705 -9.875 19.472 1.00 0.00 H new ATOM 0 HG3 ARG A 99 0.376 -10.294 17.803 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -0.333 -12.576 18.505 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.020 -12.180 20.175 1.00 0.00 H new ATOM 0 HE ARG A 99 -1.812 -10.240 19.071 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -1.750 -13.609 20.236 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -3.456 -13.580 20.692 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -3.959 -10.248 19.670 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -4.696 -11.692 20.373 1.00 0.00 H new ATOM 1578 N THR A 100 4.419 -13.211 16.368 1.00 0.00 N ATOM 1579 CA THR A 100 5.835 -13.360 15.983 1.00 0.00 C ATOM 1580 C THR A 100 6.112 -12.734 14.591 1.00 0.00 C ATOM 1581 O THR A 100 7.271 -12.603 14.181 1.00 0.00 O ATOM 1582 CB THR A 100 6.268 -14.869 16.021 1.00 0.00 C ATOM 1583 OG1 THR A 100 7.695 -14.984 15.908 1.00 0.00 O ATOM 1584 CG2 THR A 100 5.598 -15.717 14.929 1.00 0.00 C ATOM 0 H THR A 100 3.840 -14.015 16.128 1.00 0.00 H new ATOM 0 HA THR A 100 6.437 -12.817 16.712 1.00 0.00 H new ATOM 0 HB THR A 100 5.935 -15.258 16.983 1.00 0.00 H new ATOM 0 HG1 THR A 100 8.034 -14.283 15.313 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.939 -16.749 15.009 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.516 -15.682 15.054 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.863 -15.323 13.948 1.00 0.00 H new ATOM 1592 N ARG A 101 5.040 -12.292 13.907 1.00 0.00 N ATOM 1593 CA ARG A 101 5.114 -11.743 12.545 1.00 0.00 C ATOM 1594 C ARG A 101 3.846 -10.923 12.249 1.00 0.00 C ATOM 1595 O ARG A 101 2.854 -11.012 12.977 1.00 0.00 O ATOM 1596 CB ARG A 101 5.390 -12.881 11.490 1.00 0.00 C ATOM 1597 CG ARG A 101 4.385 -14.069 11.463 1.00 0.00 C ATOM 1598 CD ARG A 101 3.182 -13.878 10.515 1.00 0.00 C ATOM 1599 NE ARG A 101 2.158 -14.919 10.746 1.00 0.00 N ATOM 1600 CZ ARG A 101 1.063 -15.127 10.010 1.00 0.00 C ATOM 1601 NH1 ARG A 101 0.875 -14.503 8.862 1.00 0.00 N ATOM 1602 NH2 ARG A 101 0.163 -15.997 10.433 1.00 0.00 N ATOM 0 H ARG A 101 4.094 -12.307 14.288 1.00 0.00 H new ATOM 0 HA ARG A 101 5.961 -11.062 12.467 1.00 0.00 H new ATOM 0 HB2 ARG A 101 5.408 -12.428 10.499 1.00 0.00 H new ATOM 0 HB3 ARG A 101 6.386 -13.282 11.676 1.00 0.00 H new ATOM 0 HG2 ARG A 101 4.920 -14.973 11.171 1.00 0.00 H new ATOM 0 HG3 ARG A 101 4.011 -14.233 12.474 1.00 0.00 H new ATOM 0 HD2 ARG A 101 2.745 -12.892 10.670 1.00 0.00 H new ATOM 0 HD3 ARG A 101 3.520 -13.918 9.479 1.00 0.00 H new ATOM 0 HE ARG A 101 2.301 -15.538 11.544 1.00 0.00 H new ATOM 0 HH11 ARG A 101 1.575 -13.845 8.519 1.00 0.00 H new ATOM 0 HH12 ARG A 101 0.030 -14.679 8.318 1.00 0.00 H new ATOM 0 HH21 ARG A 101 0.310 -16.498 11.309 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -0.679 -16.168 9.883 1.00 0.00 H new ATOM 1616 N LEU A 102 3.918 -10.079 11.219 1.00 0.00 N ATOM 1617 CA LEU A 102 2.806 -9.231 10.758 1.00 0.00 C ATOM 1618 C LEU A 102 2.427 -9.695 9.329 1.00 0.00 C ATOM 1619 O LEU A 102 3.273 -9.660 8.429 1.00 0.00 O ATOM 1620 CB LEU A 102 3.250 -7.712 10.771 1.00 0.00 C ATOM 1621 CG LEU A 102 2.241 -6.660 11.344 1.00 0.00 C ATOM 1622 CD1 LEU A 102 0.848 -6.805 10.720 1.00 0.00 C ATOM 1623 CD2 LEU A 102 2.183 -6.704 12.884 1.00 0.00 C ATOM 0 H LEU A 102 4.767 -9.960 10.667 1.00 0.00 H new ATOM 0 HA LEU A 102 1.941 -9.323 11.415 1.00 0.00 H new ATOM 0 HB2 LEU A 102 4.173 -7.638 11.346 1.00 0.00 H new ATOM 0 HB3 LEU A 102 3.488 -7.424 9.747 1.00 0.00 H new ATOM 0 HG LEU A 102 2.615 -5.675 11.064 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.179 -6.057 11.145 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.916 -6.661 9.642 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.458 -7.801 10.929 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.472 -5.960 13.243 1.00 0.00 H new ATOM 0 HD22 LEU A 102 1.865 -7.695 13.208 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.171 -6.488 13.292 1.00 0.00 H new ATOM 1635 N GLU A 103 1.181 -10.173 9.132 1.00 0.00 N ATOM 1636 CA GLU A 103 0.687 -10.551 7.795 1.00 0.00 C ATOM 1637 C GLU A 103 0.028 -9.336 7.140 1.00 0.00 C ATOM 1638 O GLU A 103 -1.080 -8.923 7.517 1.00 0.00 O ATOM 1639 CB GLU A 103 -0.304 -11.743 7.843 1.00 0.00 C ATOM 1640 CG GLU A 103 -0.740 -12.256 6.446 1.00 0.00 C ATOM 1641 CD GLU A 103 -1.604 -13.534 6.490 1.00 0.00 C ATOM 1642 OE1 GLU A 103 -1.044 -14.650 6.462 1.00 0.00 O ATOM 1643 OE2 GLU A 103 -2.841 -13.436 6.556 1.00 0.00 O ATOM 0 H GLU A 103 0.501 -10.306 9.881 1.00 0.00 H new ATOM 0 HA GLU A 103 1.541 -10.879 7.203 1.00 0.00 H new ATOM 0 HB2 GLU A 103 0.157 -12.564 8.393 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -1.191 -11.443 8.402 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -1.298 -11.469 5.939 1.00 0.00 H new ATOM 0 HG3 GLU A 103 0.150 -12.451 5.848 1.00 0.00 H new ATOM 1650 N ILE A 104 0.736 -8.755 6.179 1.00 0.00 N ATOM 1651 CA ILE A 104 0.276 -7.588 5.431 1.00 0.00 C ATOM 1652 C ILE A 104 -0.518 -8.090 4.222 1.00 0.00 C ATOM 1653 O ILE A 104 0.075 -8.509 3.217 1.00 0.00 O ATOM 1654 CB ILE A 104 1.477 -6.680 4.944 1.00 0.00 C ATOM 1655 CG1 ILE A 104 2.554 -6.500 6.060 1.00 0.00 C ATOM 1656 CG2 ILE A 104 0.956 -5.312 4.441 1.00 0.00 C ATOM 1657 CD1 ILE A 104 2.042 -5.910 7.356 1.00 0.00 C ATOM 0 H ILE A 104 1.658 -9.084 5.892 1.00 0.00 H new ATOM 0 HA ILE A 104 -0.343 -6.972 6.083 1.00 0.00 H new ATOM 0 HB ILE A 104 1.962 -7.188 4.110 1.00 0.00 H new ATOM 0 HG12 ILE A 104 3.001 -7.471 6.272 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.349 -5.860 5.677 1.00 0.00 H new ATOM 0 HG21 ILE A 104 1.796 -4.702 4.110 1.00 0.00 H new ATOM 0 HG22 ILE A 104 0.271 -5.468 3.608 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.433 -4.802 5.250 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.864 -5.825 8.067 1.00 0.00 H new ATOM 0 HD12 ILE A 104 1.623 -4.922 7.166 1.00 0.00 H new ATOM 0 HD13 ILE A 104 1.270 -6.558 7.771 1.00 0.00 H new ATOM 1669 N LEU A 105 -1.852 -8.115 4.346 1.00 0.00 N ATOM 1670 CA LEU A 105 -2.720 -8.538 3.238 1.00 0.00 C ATOM 1671 C LEU A 105 -2.892 -7.349 2.283 1.00 0.00 C ATOM 1672 O LEU A 105 -3.105 -6.205 2.705 1.00 0.00 O ATOM 1673 CB LEU A 105 -4.105 -9.114 3.693 1.00 0.00 C ATOM 1674 CG LEU A 105 -5.146 -8.128 4.315 1.00 0.00 C ATOM 1675 CD1 LEU A 105 -6.548 -8.772 4.382 1.00 0.00 C ATOM 1676 CD2 LEU A 105 -4.704 -7.619 5.702 1.00 0.00 C ATOM 0 H LEU A 105 -2.351 -7.850 5.195 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.234 -9.372 2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.570 -9.587 2.828 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.915 -9.901 4.422 1.00 0.00 H new ATOM 0 HG LEU A 105 -5.200 -7.261 3.657 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -7.253 -8.065 4.819 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.875 -9.036 3.377 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.507 -9.670 4.998 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.457 -6.937 6.096 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.589 -8.464 6.380 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.752 -7.095 5.611 1.00 0.00 H new ATOM 1688 N CYS A 106 -2.806 -7.656 1.000 1.00 0.00 N ATOM 1689 CA CYS A 106 -2.708 -6.673 -0.079 1.00 0.00 C ATOM 1690 C CYS A 106 -3.315 -7.266 -1.352 1.00 0.00 C ATOM 1691 O CYS A 106 -3.933 -8.329 -1.315 1.00 0.00 O ATOM 1692 CB CYS A 106 -1.227 -6.252 -0.314 1.00 0.00 C ATOM 1693 SG CYS A 106 -0.436 -5.478 1.114 1.00 0.00 S ATOM 0 H CYS A 106 -2.802 -8.620 0.665 1.00 0.00 H new ATOM 0 HA CYS A 106 -3.261 -5.776 0.200 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -0.652 -7.133 -0.599 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -1.188 -5.560 -1.155 1.00 0.00 H new ATOM 0 HG CYS A 106 -1.294 -5.381 2.086 1.00 0.00 H new ATOM 1699 N ARG A 107 -3.215 -6.522 -2.445 1.00 0.00 N ATOM 1700 CA ARG A 107 -3.452 -7.040 -3.805 1.00 0.00 C ATOM 1701 C ARG A 107 -2.655 -6.202 -4.809 1.00 0.00 C ATOM 1702 O ARG A 107 -2.229 -5.080 -4.485 1.00 0.00 O ATOM 1703 CB ARG A 107 -4.974 -7.070 -4.181 1.00 0.00 C ATOM 1704 CG ARG A 107 -5.638 -5.711 -4.534 1.00 0.00 C ATOM 1705 CD ARG A 107 -5.620 -4.704 -3.378 1.00 0.00 C ATOM 1706 NE ARG A 107 -6.310 -3.452 -3.718 1.00 0.00 N ATOM 1707 CZ ARG A 107 -6.514 -2.431 -2.873 1.00 0.00 C ATOM 1708 NH1 ARG A 107 -6.033 -2.457 -1.631 1.00 0.00 N ATOM 1709 NH2 ARG A 107 -7.188 -1.377 -3.283 1.00 0.00 N ATOM 0 H ARG A 107 -2.966 -5.533 -2.423 1.00 0.00 H new ATOM 0 HA ARG A 107 -3.111 -8.075 -3.837 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -5.100 -7.740 -5.031 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.521 -7.508 -3.346 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -5.125 -5.277 -5.392 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -6.670 -5.887 -4.836 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -6.092 -5.150 -2.503 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -4.587 -4.485 -3.106 1.00 0.00 H new ATOM 0 HE ARG A 107 -6.661 -3.352 -4.670 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -5.499 -3.264 -1.308 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -6.199 -1.670 -1.003 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -7.550 -1.342 -4.236 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -7.348 -0.595 -2.648 1.00 0.00 H new ATOM 1723 N GLU A 108 -2.426 -6.768 -6.001 1.00 0.00 N ATOM 1724 CA GLU A 108 -1.752 -6.076 -7.116 1.00 0.00 C ATOM 1725 C GLU A 108 -2.527 -4.800 -7.501 1.00 0.00 C ATOM 1726 O GLU A 108 -3.766 -4.800 -7.555 1.00 0.00 O ATOM 1727 CB GLU A 108 -1.571 -7.059 -8.316 1.00 0.00 C ATOM 1728 CG GLU A 108 -0.249 -6.917 -9.105 1.00 0.00 C ATOM 1729 CD GLU A 108 -0.047 -5.547 -9.765 1.00 0.00 C ATOM 1730 OE1 GLU A 108 -0.671 -5.279 -10.809 1.00 0.00 O ATOM 1731 OE2 GLU A 108 0.743 -4.733 -9.243 1.00 0.00 O ATOM 0 H GLU A 108 -2.703 -7.724 -6.224 1.00 0.00 H new ATOM 0 HA GLU A 108 -0.757 -5.756 -6.807 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -1.640 -8.080 -7.940 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.402 -6.917 -9.007 1.00 0.00 H new ATOM 0 HG2 GLU A 108 0.585 -7.107 -8.429 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -0.216 -7.686 -9.876 1.00 0.00 H new ATOM 1738 N GLY A 109 -1.772 -3.719 -7.768 1.00 0.00 N ATOM 1739 CA GLY A 109 -2.344 -2.393 -7.979 1.00 0.00 C ATOM 1740 C GLY A 109 -2.723 -2.108 -9.430 1.00 0.00 C ATOM 1741 O GLY A 109 -2.687 -0.950 -9.874 1.00 0.00 O ATOM 0 H GLY A 109 -0.755 -3.748 -7.842 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -3.231 -2.287 -7.354 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -1.628 -1.642 -7.646 1.00 0.00 H new