USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 590 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 49 GLN : amide:sc= -4.54! C(o=-12!,f=-19!) USER MOD Set 1.2: A 81 ASN : amide:sc= -7.32! C(o=-12!,f=-14!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 160:sc= -0.0445 (180deg=-0.398) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 23 ASN :FLIP amide:sc= -4.05 F(o=-13!,f=-4) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0.138 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HE2:sc= -4.94! C(o=-4.9!,f=-5.2!) USER MOD Single : A 35 MET CE :methyl 151:sc= -0.215 (180deg=-1.78!) USER MOD Single : A 37 ASN : amide:sc= -1.35 K(o=-1.4,f=-3.4!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.114 USER MOD Single : A 50 MET CE :methyl 169:sc= -0.25 (180deg=-0.655) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 63 ASN : amide:sc= -0.106 K(o=-0.11,f=-3.3!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 168:sc= -1.68 (180deg=-1.84) USER MOD Single : A 70 MET CE :methyl -141:sc= -1.58 (180deg=-3.91!) USER MOD Single : A 71 MET CE :methyl -130:sc= -0.0723 (180deg=-1.71) USER MOD Single : A 72 MET CE :methyl -121:sc= 0 (180deg=-0.0556) USER MOD Single : A 73 THR OG1 : rot 76:sc= 0.425 USER MOD Single : A 84 SER OG : rot 101:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 107 N GLU A 9 14.081 -1.153 -2.403 1.00 0.00 N ATOM 108 CA GLU A 9 13.852 -0.335 -3.588 1.00 0.00 C ATOM 109 C GLU A 9 12.413 -0.483 -4.073 1.00 0.00 C ATOM 110 O GLU A 9 11.792 0.482 -4.513 1.00 0.00 O ATOM 111 CB GLU A 9 14.814 -0.744 -4.702 1.00 0.00 C ATOM 112 CG GLU A 9 16.247 -0.403 -4.289 1.00 0.00 C ATOM 113 CD GLU A 9 17.225 -0.882 -5.356 1.00 0.00 C ATOM 114 OE1 GLU A 9 16.766 -1.361 -6.380 1.00 0.00 O ATOM 115 OE2 GLU A 9 18.419 -0.769 -5.131 1.00 0.00 O ATOM 0 HA GLU A 9 14.028 0.708 -3.324 1.00 0.00 H new ATOM 0 HB2 GLU A 9 14.726 -1.812 -4.899 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.558 -0.227 -5.627 1.00 0.00 H new ATOM 0 HG2 GLU A 9 16.347 0.673 -4.149 1.00 0.00 H new ATOM 0 HG3 GLU A 9 16.480 -0.872 -3.333 1.00 0.00 H new ATOM 122 N GLU A 10 11.890 -1.701 -3.992 1.00 0.00 N ATOM 123 CA GLU A 10 10.525 -1.960 -4.431 1.00 0.00 C ATOM 124 C GLU A 10 9.529 -1.144 -3.613 1.00 0.00 C ATOM 125 O GLU A 10 8.700 -0.426 -4.170 1.00 0.00 O ATOM 126 CB GLU A 10 10.205 -3.452 -4.280 1.00 0.00 C ATOM 127 CG GLU A 10 8.768 -3.724 -4.743 1.00 0.00 C ATOM 128 CD GLU A 10 8.441 -5.203 -4.594 1.00 0.00 C ATOM 129 OE1 GLU A 10 9.370 -5.989 -4.507 1.00 0.00 O ATOM 130 OE2 GLU A 10 7.264 -5.529 -4.571 1.00 0.00 O ATOM 0 H GLU A 10 12.385 -2.517 -3.630 1.00 0.00 H new ATOM 0 HA GLU A 10 10.441 -1.669 -5.478 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.905 -4.045 -4.869 1.00 0.00 H new ATOM 0 HB3 GLU A 10 10.326 -3.756 -3.240 1.00 0.00 H new ATOM 0 HG2 GLU A 10 8.070 -3.128 -4.155 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.649 -3.420 -5.783 1.00 0.00 H new ATOM 137 N LEU A 11 9.610 -1.267 -2.293 1.00 0.00 N ATOM 138 CA LEU A 11 8.702 -0.543 -1.417 1.00 0.00 C ATOM 139 C LEU A 11 8.885 0.960 -1.574 1.00 0.00 C ATOM 140 O LEU A 11 7.909 1.710 -1.617 1.00 0.00 O ATOM 141 CB LEU A 11 8.965 -0.942 0.044 1.00 0.00 C ATOM 142 CG LEU A 11 8.245 -2.254 0.357 1.00 0.00 C ATOM 143 CD1 LEU A 11 8.761 -3.358 -0.564 1.00 0.00 C ATOM 144 CD2 LEU A 11 8.502 -2.642 1.814 1.00 0.00 C ATOM 0 H LEU A 11 10.289 -1.856 -1.811 1.00 0.00 H new ATOM 0 HA LEU A 11 7.679 -0.800 -1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.036 -1.054 0.213 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.617 -0.156 0.714 1.00 0.00 H new ATOM 0 HG LEU A 11 7.174 -2.124 0.198 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.245 -4.291 -0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.574 -3.083 -1.602 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.832 -3.489 -0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.989 -3.577 2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 11 9.573 -2.769 1.973 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.128 -1.857 2.471 1.00 0.00 H new ATOM 156 N LYS A 12 10.138 1.394 -1.650 1.00 0.00 N ATOM 157 CA LYS A 12 10.425 2.816 -1.796 1.00 0.00 C ATOM 158 C LYS A 12 9.941 3.341 -3.141 1.00 0.00 C ATOM 159 O LYS A 12 9.219 4.339 -3.208 1.00 0.00 O ATOM 160 CB LYS A 12 11.930 3.049 -1.669 1.00 0.00 C ATOM 161 CG LYS A 12 12.219 4.552 -1.696 1.00 0.00 C ATOM 162 CD LYS A 12 13.715 4.797 -1.450 1.00 0.00 C ATOM 163 CE LYS A 12 14.027 4.657 0.044 1.00 0.00 C ATOM 164 NZ LYS A 12 15.373 5.216 0.324 1.00 0.00 N ATOM 0 H LYS A 12 10.960 0.792 -1.614 1.00 0.00 H new ATOM 0 HA LYS A 12 9.896 3.354 -1.009 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.299 2.614 -0.740 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.456 2.552 -2.485 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.926 4.971 -2.659 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.628 5.059 -0.934 1.00 0.00 H new ATOM 0 HD2 LYS A 12 14.308 4.084 -2.023 1.00 0.00 H new ATOM 0 HD3 LYS A 12 13.991 5.793 -1.796 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.275 5.180 0.634 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.989 3.608 0.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 15.584 5.121 1.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 16.086 4.698 -0.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.393 6.221 0.059 1.00 0.00 H new ATOM 178 N GLU A 13 10.336 2.662 -4.211 1.00 0.00 N ATOM 179 CA GLU A 13 9.938 3.073 -5.552 1.00 0.00 C ATOM 180 C GLU A 13 8.424 2.978 -5.718 1.00 0.00 C ATOM 181 O GLU A 13 7.779 3.918 -6.204 1.00 0.00 O ATOM 182 CB GLU A 13 10.626 2.186 -6.593 1.00 0.00 C ATOM 183 CG GLU A 13 12.127 2.489 -6.613 1.00 0.00 C ATOM 184 CD GLU A 13 12.845 1.500 -7.527 1.00 0.00 C ATOM 185 OE1 GLU A 13 12.174 0.660 -8.102 1.00 0.00 O ATOM 186 OE2 GLU A 13 14.057 1.594 -7.632 1.00 0.00 O ATOM 0 H GLU A 13 10.927 1.831 -4.178 1.00 0.00 H new ATOM 0 HA GLU A 13 10.241 4.110 -5.699 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.460 1.135 -6.357 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.196 2.363 -7.579 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.296 3.508 -6.961 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.533 2.425 -5.603 1.00 0.00 H new ATOM 193 N ALA A 14 7.861 1.846 -5.302 1.00 0.00 N ATOM 194 CA ALA A 14 6.423 1.639 -5.407 1.00 0.00 C ATOM 195 C ALA A 14 5.669 2.686 -4.587 1.00 0.00 C ATOM 196 O ALA A 14 4.700 3.289 -5.049 1.00 0.00 O ATOM 197 CB ALA A 14 6.057 0.241 -4.909 1.00 0.00 C ATOM 0 H ALA A 14 8.375 1.066 -4.893 1.00 0.00 H new ATOM 0 HA ALA A 14 6.138 1.737 -6.454 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.980 0.096 -4.991 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.571 -0.507 -5.513 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.359 0.135 -3.867 1.00 0.00 H new ATOM 203 N PHE A 15 6.116 2.897 -3.360 1.00 0.00 N ATOM 204 CA PHE A 15 5.471 3.868 -2.485 1.00 0.00 C ATOM 205 C PHE A 15 5.645 5.282 -3.031 1.00 0.00 C ATOM 206 O PHE A 15 4.846 6.173 -2.743 1.00 0.00 O ATOM 207 CB PHE A 15 6.081 3.792 -1.083 1.00 0.00 C ATOM 208 CG PHE A 15 5.451 4.846 -0.201 1.00 0.00 C ATOM 209 CD1 PHE A 15 5.933 6.161 -0.228 1.00 0.00 C ATOM 210 CD2 PHE A 15 4.389 4.508 0.646 1.00 0.00 C ATOM 211 CE1 PHE A 15 5.352 7.137 0.591 1.00 0.00 C ATOM 212 CE2 PHE A 15 3.809 5.485 1.466 1.00 0.00 C ATOM 213 CZ PHE A 15 4.290 6.799 1.437 1.00 0.00 C ATOM 0 H PHE A 15 6.915 2.415 -2.948 1.00 0.00 H new ATOM 0 HA PHE A 15 4.408 3.633 -2.438 1.00 0.00 H new ATOM 0 HB2 PHE A 15 5.918 2.802 -0.657 1.00 0.00 H new ATOM 0 HB3 PHE A 15 7.159 3.943 -1.135 1.00 0.00 H new ATOM 0 HD1 PHE A 15 6.753 6.422 -0.881 1.00 0.00 H new ATOM 0 HD2 PHE A 15 4.017 3.494 0.667 1.00 0.00 H new ATOM 0 HE1 PHE A 15 5.724 8.151 0.570 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.991 5.224 2.121 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.841 7.552 2.068 1.00 0.00 H new ATOM 223 N LYS A 16 6.712 5.488 -3.795 1.00 0.00 N ATOM 224 CA LYS A 16 6.995 6.801 -4.359 1.00 0.00 C ATOM 225 C LYS A 16 6.022 7.151 -5.477 1.00 0.00 C ATOM 226 O LYS A 16 5.650 8.314 -5.645 1.00 0.00 O ATOM 227 CB LYS A 16 8.427 6.838 -4.897 1.00 0.00 C ATOM 228 CG LYS A 16 8.770 8.260 -5.351 1.00 0.00 C ATOM 229 CD LYS A 16 10.217 8.303 -5.849 1.00 0.00 C ATOM 230 CE LYS A 16 10.563 9.727 -6.288 1.00 0.00 C ATOM 231 NZ LYS A 16 10.555 10.630 -5.101 1.00 0.00 N ATOM 0 H LYS A 16 7.391 4.767 -4.037 1.00 0.00 H new ATOM 0 HA LYS A 16 6.878 7.538 -3.564 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.125 6.514 -4.125 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.531 6.144 -5.731 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.092 8.573 -6.145 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.638 8.959 -4.525 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.895 7.980 -5.059 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.347 7.612 -6.682 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.543 9.744 -6.764 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.843 10.076 -7.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.101 11.489 -5.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.575 10.891 -4.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.983 10.140 -4.289 1.00 0.00 H new ATOM 245 N VAL A 17 5.624 6.137 -6.239 1.00 0.00 N ATOM 246 CA VAL A 17 4.690 6.347 -7.346 1.00 0.00 C ATOM 247 C VAL A 17 3.249 6.352 -6.849 1.00 0.00 C ATOM 248 O VAL A 17 2.372 6.958 -7.467 1.00 0.00 O ATOM 249 CB VAL A 17 4.877 5.259 -8.397 1.00 0.00 C ATOM 250 CG1 VAL A 17 6.250 5.415 -9.053 1.00 0.00 C ATOM 251 CG2 VAL A 17 4.789 3.894 -7.728 1.00 0.00 C ATOM 0 H VAL A 17 5.928 5.171 -6.115 1.00 0.00 H new ATOM 0 HA VAL A 17 4.900 7.319 -7.793 1.00 0.00 H new ATOM 0 HB VAL A 17 4.100 5.346 -9.156 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.385 4.637 -9.805 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.317 6.394 -9.528 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.028 5.325 -8.295 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.922 3.113 -8.476 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.569 3.809 -6.971 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.813 3.782 -7.257 1.00 0.00 H new ATOM 261 N PHE A 18 3.010 5.675 -5.732 1.00 0.00 N ATOM 262 CA PHE A 18 1.667 5.616 -5.167 1.00 0.00 C ATOM 263 C PHE A 18 1.180 7.015 -4.814 1.00 0.00 C ATOM 264 O PHE A 18 0.031 7.367 -5.084 1.00 0.00 O ATOM 265 CB PHE A 18 1.668 4.722 -3.907 1.00 0.00 C ATOM 266 CG PHE A 18 0.847 3.478 -4.154 1.00 0.00 C ATOM 267 CD1 PHE A 18 -0.543 3.529 -3.999 1.00 0.00 C ATOM 268 CD2 PHE A 18 1.470 2.294 -4.549 1.00 0.00 C ATOM 269 CE1 PHE A 18 -1.311 2.387 -4.234 1.00 0.00 C ATOM 270 CE2 PHE A 18 0.702 1.151 -4.785 1.00 0.00 C ATOM 271 CZ PHE A 18 -0.690 1.198 -4.626 1.00 0.00 C ATOM 0 H PHE A 18 3.719 5.165 -5.205 1.00 0.00 H new ATOM 0 HA PHE A 18 0.991 5.189 -5.908 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.690 4.447 -3.647 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.261 5.274 -3.060 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.021 4.450 -3.698 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.542 2.261 -4.672 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.384 2.422 -4.113 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.180 0.232 -5.090 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.283 0.314 -4.807 1.00 0.00 H new ATOM 281 N ASP A 19 2.053 7.804 -4.197 1.00 0.00 N ATOM 282 CA ASP A 19 1.692 9.161 -3.805 1.00 0.00 C ATOM 283 C ASP A 19 1.914 10.113 -4.978 1.00 0.00 C ATOM 284 O ASP A 19 2.931 10.805 -5.047 1.00 0.00 O ATOM 285 CB ASP A 19 2.546 9.606 -2.614 1.00 0.00 C ATOM 286 CG ASP A 19 1.909 10.812 -1.943 1.00 0.00 C ATOM 287 OD1 ASP A 19 0.691 10.839 -1.853 1.00 0.00 O ATOM 288 OD2 ASP A 19 2.644 11.696 -1.538 1.00 0.00 O ATOM 0 H ASP A 19 3.007 7.531 -3.959 1.00 0.00 H new ATOM 0 HA ASP A 19 0.641 9.180 -3.518 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.642 8.789 -1.899 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.553 9.855 -2.950 1.00 0.00 H new ATOM 293 N LYS A 20 0.958 10.143 -5.896 1.00 0.00 N ATOM 294 CA LYS A 20 1.062 11.009 -7.063 1.00 0.00 C ATOM 295 C LYS A 20 1.350 12.446 -6.645 1.00 0.00 C ATOM 296 O LYS A 20 2.100 13.157 -7.313 1.00 0.00 O ATOM 297 CB LYS A 20 -0.244 10.962 -7.861 1.00 0.00 C ATOM 298 CG LYS A 20 -1.370 11.603 -7.044 1.00 0.00 C ATOM 299 CD LYS A 20 -2.711 11.371 -7.744 1.00 0.00 C ATOM 300 CE LYS A 20 -2.704 12.060 -9.111 1.00 0.00 C ATOM 301 NZ LYS A 20 -4.105 12.233 -9.587 1.00 0.00 N ATOM 0 H LYS A 20 0.107 9.582 -5.857 1.00 0.00 H new ATOM 0 HA LYS A 20 1.885 10.653 -7.683 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.123 11.489 -8.807 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.498 9.930 -8.101 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.393 11.176 -6.041 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.188 12.672 -6.931 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.889 10.303 -7.865 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.524 11.762 -7.133 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.211 13.029 -9.039 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.136 11.466 -9.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.101 12.701 -10.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.561 11.302 -9.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.633 12.817 -8.907 1.00 0.00 H new ATOM 315 N ASP A 21 0.744 12.867 -5.539 1.00 0.00 N ATOM 316 CA ASP A 21 0.940 14.225 -5.046 1.00 0.00 C ATOM 317 C ASP A 21 2.269 14.341 -4.310 1.00 0.00 C ATOM 318 O ASP A 21 2.699 15.439 -3.954 1.00 0.00 O ATOM 319 CB ASP A 21 -0.210 14.611 -4.112 1.00 0.00 C ATOM 320 CG ASP A 21 -0.067 13.900 -2.770 1.00 0.00 C ATOM 321 OD1 ASP A 21 0.768 13.022 -2.679 1.00 0.00 O ATOM 322 OD2 ASP A 21 -0.782 14.258 -1.853 1.00 0.00 O ATOM 0 H ASP A 21 0.119 12.294 -4.972 1.00 0.00 H new ATOM 0 HA ASP A 21 0.955 14.905 -5.898 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.217 15.690 -3.960 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -1.163 14.348 -4.570 1.00 0.00 H new ATOM 327 N GLN A 22 2.912 13.202 -4.077 1.00 0.00 N ATOM 328 CA GLN A 22 4.191 13.192 -3.376 1.00 0.00 C ATOM 329 C GLN A 22 4.179 14.149 -2.190 1.00 0.00 C ATOM 330 O GLN A 22 5.122 14.913 -1.990 1.00 0.00 O ATOM 331 CB GLN A 22 5.309 13.581 -4.342 1.00 0.00 C ATOM 332 CG GLN A 22 5.502 12.470 -5.376 1.00 0.00 C ATOM 333 CD GLN A 22 6.576 12.874 -6.382 1.00 0.00 C ATOM 334 OE1 GLN A 22 6.542 13.981 -6.917 1.00 0.00 O ATOM 335 NE2 GLN A 22 7.536 12.037 -6.669 1.00 0.00 N ATOM 0 H GLN A 22 2.573 12.282 -4.360 1.00 0.00 H new ATOM 0 HA GLN A 22 4.364 12.185 -2.997 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.062 14.518 -4.841 1.00 0.00 H new ATOM 0 HB3 GLN A 22 6.236 13.747 -3.794 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.789 11.544 -4.878 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.562 12.276 -5.893 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.563 11.119 -6.224 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.260 12.301 -7.338 1.00 0.00 H new ATOM 344 N ASN A 23 3.105 14.103 -1.407 1.00 0.00 N ATOM 345 CA ASN A 23 2.982 14.973 -0.242 1.00 0.00 C ATOM 346 C ASN A 23 3.626 14.319 0.974 1.00 0.00 C ATOM 347 O ASN A 23 3.664 14.902 2.056 1.00 0.00 O ATOM 348 CB ASN A 23 1.507 15.257 0.046 1.00 0.00 C ATOM 349 CG ASN A 23 0.775 13.959 0.359 1.00 0.00 C ATOM 350 OD1 ASN A 23 1.364 12.821 0.129 1.00 0.00 O flip ATOM 351 ND2 ASN A 23 -0.362 13.981 0.828 1.00 0.00 N flip ATOM 0 H ASN A 23 2.313 13.478 -1.556 1.00 0.00 H new ATOM 0 HA ASN A 23 3.494 15.912 -0.452 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.419 15.945 0.887 1.00 0.00 H new ATOM 0 HB3 ASN A 23 1.048 15.744 -0.814 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.822 14.873 1.008 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.844 13.107 1.037 1.00 0.00 H new ATOM 358 N GLY A 24 4.136 13.103 0.787 1.00 0.00 N ATOM 359 CA GLY A 24 4.784 12.376 1.879 1.00 0.00 C ATOM 360 C GLY A 24 3.802 11.450 2.581 1.00 0.00 C ATOM 361 O GLY A 24 4.093 10.920 3.654 1.00 0.00 O ATOM 0 H GLY A 24 4.114 12.603 -0.102 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.619 11.795 1.488 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.197 13.085 2.597 1.00 0.00 H new ATOM 365 N TYR A 25 2.635 11.264 1.977 1.00 0.00 N ATOM 366 CA TYR A 25 1.617 10.399 2.561 1.00 0.00 C ATOM 367 C TYR A 25 0.656 9.902 1.492 1.00 0.00 C ATOM 368 O TYR A 25 0.503 10.522 0.448 1.00 0.00 O ATOM 369 CB TYR A 25 0.829 11.163 3.626 1.00 0.00 C ATOM 370 CG TYR A 25 1.781 11.755 4.634 1.00 0.00 C ATOM 371 CD1 TYR A 25 2.320 13.028 4.422 1.00 0.00 C ATOM 372 CD2 TYR A 25 2.130 11.028 5.778 1.00 0.00 C ATOM 373 CE1 TYR A 25 3.210 13.576 5.354 1.00 0.00 C ATOM 374 CE2 TYR A 25 3.019 11.576 6.710 1.00 0.00 C ATOM 375 CZ TYR A 25 3.559 12.850 6.498 1.00 0.00 C ATOM 376 OH TYR A 25 4.435 13.390 7.416 1.00 0.00 O ATOM 0 H TYR A 25 2.371 11.696 1.091 1.00 0.00 H new ATOM 0 HA TYR A 25 2.118 9.544 3.015 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.240 11.953 3.160 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.127 10.493 4.123 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.050 13.589 3.539 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.714 10.045 5.941 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.627 14.559 5.190 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.288 11.016 7.593 1.00 0.00 H new ATOM 0 HH TYR A 25 4.570 12.757 8.152 1.00 0.00 H new ATOM 386 N ILE A 26 0.008 8.772 1.755 1.00 0.00 N ATOM 387 CA ILE A 26 -0.948 8.202 0.799 1.00 0.00 C ATOM 388 C ILE A 26 -2.370 8.400 1.299 1.00 0.00 C ATOM 389 O ILE A 26 -2.700 8.037 2.428 1.00 0.00 O ATOM 390 CB ILE A 26 -0.674 6.714 0.599 1.00 0.00 C ATOM 391 CG1 ILE A 26 0.672 6.533 -0.105 1.00 0.00 C ATOM 392 CG2 ILE A 26 -1.789 6.096 -0.250 1.00 0.00 C ATOM 393 CD1 ILE A 26 1.070 5.055 -0.069 1.00 0.00 C ATOM 0 H ILE A 26 0.122 8.233 2.613 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.831 8.715 -0.156 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.644 6.217 1.568 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.604 6.878 -1.137 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.435 7.139 0.384 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.592 5.033 -0.392 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.745 6.223 0.257 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.824 6.591 -1.220 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.029 4.924 -0.570 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.154 4.726 0.967 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.311 4.461 -0.578 1.00 0.00 H new ATOM 405 N SER A 27 -3.216 8.983 0.451 1.00 0.00 N ATOM 406 CA SER A 27 -4.612 9.224 0.815 1.00 0.00 C ATOM 407 C SER A 27 -5.517 8.163 0.197 1.00 0.00 C ATOM 408 O SER A 27 -5.045 7.234 -0.460 1.00 0.00 O ATOM 409 CB SER A 27 -5.046 10.610 0.335 1.00 0.00 C ATOM 410 OG SER A 27 -5.539 10.512 -0.994 1.00 0.00 O ATOM 0 H SER A 27 -2.962 9.295 -0.486 1.00 0.00 H new ATOM 0 HA SER A 27 -4.699 9.173 1.900 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.817 11.011 0.993 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.204 11.301 0.373 1.00 0.00 H new ATOM 0 HG SER A 27 -5.820 11.398 -1.305 1.00 0.00 H new ATOM 416 N ALA A 28 -6.819 8.309 0.409 1.00 0.00 N ATOM 417 CA ALA A 28 -7.783 7.362 -0.140 1.00 0.00 C ATOM 418 C ALA A 28 -7.984 7.599 -1.633 1.00 0.00 C ATOM 419 O ALA A 28 -8.001 6.658 -2.425 1.00 0.00 O ATOM 420 CB ALA A 28 -9.125 7.505 0.589 1.00 0.00 C ATOM 0 H ALA A 28 -7.230 9.068 0.953 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.395 6.354 0.003 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.841 6.795 0.175 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.986 7.302 1.651 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.503 8.519 0.460 1.00 0.00 H new ATOM 426 N SER A 29 -8.147 8.862 -2.007 1.00 0.00 N ATOM 427 CA SER A 29 -8.365 9.210 -3.408 1.00 0.00 C ATOM 428 C SER A 29 -7.196 8.739 -4.262 1.00 0.00 C ATOM 429 O SER A 29 -7.390 8.179 -5.342 1.00 0.00 O ATOM 430 CB SER A 29 -8.523 10.726 -3.551 1.00 0.00 C ATOM 431 OG SER A 29 -8.790 11.044 -4.910 1.00 0.00 O ATOM 0 H SER A 29 -8.133 9.657 -1.368 1.00 0.00 H new ATOM 0 HA SER A 29 -9.275 8.716 -3.749 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.335 11.080 -2.916 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.616 11.231 -3.219 1.00 0.00 H new ATOM 0 HG SER A 29 -8.893 12.014 -5.005 1.00 0.00 H new ATOM 437 N GLU A 30 -5.980 8.961 -3.770 1.00 0.00 N ATOM 438 CA GLU A 30 -4.786 8.549 -4.499 1.00 0.00 C ATOM 439 C GLU A 30 -4.720 7.029 -4.601 1.00 0.00 C ATOM 440 O GLU A 30 -4.425 6.476 -5.665 1.00 0.00 O ATOM 441 CB GLU A 30 -3.538 9.074 -3.789 1.00 0.00 C ATOM 442 CG GLU A 30 -3.501 10.601 -3.886 1.00 0.00 C ATOM 443 CD GLU A 30 -2.313 11.144 -3.102 1.00 0.00 C ATOM 444 OE1 GLU A 30 -1.559 10.345 -2.571 1.00 0.00 O ATOM 445 OE2 GLU A 30 -2.179 12.354 -3.029 1.00 0.00 O ATOM 0 H GLU A 30 -5.797 9.420 -2.878 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.832 8.965 -5.505 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.544 8.765 -2.744 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.643 8.648 -4.242 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.428 10.906 -4.930 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.428 11.021 -3.495 1.00 0.00 H new ATOM 452 N LEU A 31 -4.998 6.356 -3.492 1.00 0.00 N ATOM 453 CA LEU A 31 -4.964 4.902 -3.469 1.00 0.00 C ATOM 454 C LEU A 31 -5.970 4.330 -4.462 1.00 0.00 C ATOM 455 O LEU A 31 -5.674 3.371 -5.183 1.00 0.00 O ATOM 456 CB LEU A 31 -5.289 4.394 -2.061 1.00 0.00 C ATOM 457 CG LEU A 31 -4.834 2.929 -1.919 1.00 0.00 C ATOM 458 CD1 LEU A 31 -3.373 2.886 -1.455 1.00 0.00 C ATOM 459 CD2 LEU A 31 -5.714 2.217 -0.893 1.00 0.00 C ATOM 0 H LEU A 31 -5.248 6.791 -2.604 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.963 4.575 -3.751 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.790 5.014 -1.316 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.360 4.472 -1.874 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.923 2.429 -2.884 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.053 1.849 -1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.744 3.391 -2.188 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.282 3.388 -0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.391 1.181 -0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.627 2.718 0.071 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.752 2.243 -1.224 1.00 0.00 H new ATOM 471 N ARG A 32 -7.155 4.924 -4.500 1.00 0.00 N ATOM 472 CA ARG A 32 -8.189 4.472 -5.419 1.00 0.00 C ATOM 473 C ARG A 32 -7.737 4.671 -6.865 1.00 0.00 C ATOM 474 O ARG A 32 -7.931 3.794 -7.707 1.00 0.00 O ATOM 475 CB ARG A 32 -9.483 5.256 -5.171 1.00 0.00 C ATOM 476 CG ARG A 32 -10.543 4.844 -6.199 1.00 0.00 C ATOM 477 CD ARG A 32 -11.815 5.656 -5.977 1.00 0.00 C ATOM 478 NE ARG A 32 -12.426 5.301 -4.702 1.00 0.00 N ATOM 479 CZ ARG A 32 -13.339 6.082 -4.135 1.00 0.00 C ATOM 480 NH1 ARG A 32 -13.701 7.192 -4.718 1.00 0.00 N ATOM 481 NH2 ARG A 32 -13.870 5.742 -2.992 1.00 0.00 N ATOM 0 H ARG A 32 -7.422 5.713 -3.911 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.370 3.411 -5.248 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.848 5.064 -4.162 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.290 6.326 -5.242 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.167 5.007 -7.209 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.759 3.779 -6.107 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.582 6.721 -5.992 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -12.519 5.472 -6.789 1.00 0.00 H new ATOM 0 HE ARG A 32 -12.147 4.437 -4.237 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -13.283 7.460 -5.609 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -14.402 7.792 -4.283 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -13.584 4.877 -2.534 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -14.571 6.342 -2.557 1.00 0.00 H new ATOM 495 N HIS A 33 -7.152 5.833 -7.153 1.00 0.00 N ATOM 496 CA HIS A 33 -6.706 6.131 -8.503 1.00 0.00 C ATOM 497 C HIS A 33 -5.736 5.056 -8.970 1.00 0.00 C ATOM 498 O HIS A 33 -5.771 4.632 -10.123 1.00 0.00 O ATOM 499 CB HIS A 33 -6.047 7.530 -8.529 1.00 0.00 C ATOM 500 CG HIS A 33 -4.588 7.416 -8.885 1.00 0.00 C ATOM 501 ND1 HIS A 33 -3.588 7.620 -7.964 1.00 0.00 N ATOM 502 CD2 HIS A 33 -3.968 7.062 -10.053 1.00 0.00 C ATOM 503 CE1 HIS A 33 -2.422 7.395 -8.584 1.00 0.00 C ATOM 504 NE2 HIS A 33 -2.592 7.049 -9.863 1.00 0.00 N ATOM 0 H HIS A 33 -6.979 6.574 -6.473 1.00 0.00 H new ATOM 0 HA HIS A 33 -7.557 6.139 -9.184 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -6.556 8.166 -9.254 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -6.154 8.008 -7.555 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -3.711 7.892 -6.989 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -4.471 6.829 -10.980 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -1.458 7.483 -8.106 1.00 0.00 H new ATOM 512 N VAL A 34 -4.845 4.660 -8.074 1.00 0.00 N ATOM 513 CA VAL A 34 -3.845 3.652 -8.405 1.00 0.00 C ATOM 514 C VAL A 34 -4.533 2.321 -8.680 1.00 0.00 C ATOM 515 O VAL A 34 -4.165 1.594 -9.606 1.00 0.00 O ATOM 516 CB VAL A 34 -2.846 3.494 -7.255 1.00 0.00 C ATOM 517 CG1 VAL A 34 -1.940 2.286 -7.522 1.00 0.00 C ATOM 518 CG2 VAL A 34 -1.988 4.754 -7.145 1.00 0.00 C ATOM 0 H VAL A 34 -4.792 5.016 -7.120 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.303 3.971 -9.295 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.392 3.341 -6.324 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.230 2.176 -6.702 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.548 1.385 -7.599 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.397 2.438 -8.455 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.278 4.640 -6.326 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.445 4.907 -8.078 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.629 5.615 -6.953 1.00 0.00 H new ATOM 528 N MET A 35 -5.530 1.996 -7.858 1.00 0.00 N ATOM 529 CA MET A 35 -6.249 0.736 -8.015 1.00 0.00 C ATOM 530 C MET A 35 -6.901 0.670 -9.392 1.00 0.00 C ATOM 531 O MET A 35 -6.856 -0.364 -10.058 1.00 0.00 O ATOM 532 CB MET A 35 -7.328 0.622 -6.929 1.00 0.00 C ATOM 533 CG MET A 35 -6.679 0.233 -5.601 1.00 0.00 C ATOM 534 SD MET A 35 -6.119 -1.486 -5.684 1.00 0.00 S ATOM 535 CE MET A 35 -5.535 -1.621 -3.976 1.00 0.00 C ATOM 0 H MET A 35 -5.854 2.580 -7.087 1.00 0.00 H new ATOM 0 HA MET A 35 -5.544 -0.089 -7.918 1.00 0.00 H new ATOM 0 HB2 MET A 35 -7.854 1.571 -6.824 1.00 0.00 H new ATOM 0 HB3 MET A 35 -8.069 -0.124 -7.215 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.836 0.891 -5.389 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.392 0.355 -4.786 1.00 0.00 H new ATOM 0 HE1 MET A 35 -5.626 -2.654 -3.641 1.00 0.00 H new ATOM 0 HE2 MET A 35 -4.491 -1.313 -3.923 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.136 -0.977 -3.334 1.00 0.00 H new ATOM 545 N ILE A 36 -7.500 1.776 -9.815 1.00 0.00 N ATOM 546 CA ILE A 36 -8.146 1.829 -11.120 1.00 0.00 C ATOM 547 C ILE A 36 -7.110 1.728 -12.232 1.00 0.00 C ATOM 548 O ILE A 36 -7.312 1.026 -13.222 1.00 0.00 O ATOM 549 CB ILE A 36 -8.937 3.133 -11.258 1.00 0.00 C ATOM 550 CG1 ILE A 36 -10.093 3.140 -10.239 1.00 0.00 C ATOM 551 CG2 ILE A 36 -9.507 3.239 -12.681 1.00 0.00 C ATOM 552 CD1 ILE A 36 -11.300 2.371 -10.798 1.00 0.00 C ATOM 0 H ILE A 36 -7.552 2.642 -9.278 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.830 0.985 -11.205 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.278 3.980 -11.068 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.765 2.686 -9.304 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.381 4.167 -10.012 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.070 4.167 -12.779 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -8.689 3.233 -13.402 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.166 2.393 -12.873 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.109 2.384 -10.068 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.636 2.843 -11.721 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -11.012 1.340 -11.002 1.00 0.00 H new ATOM 564 N ASN A 37 -6.004 2.446 -12.062 1.00 0.00 N ATOM 565 CA ASN A 37 -4.937 2.440 -13.058 1.00 0.00 C ATOM 566 C ASN A 37 -4.421 1.018 -13.257 1.00 0.00 C ATOM 567 O ASN A 37 -4.015 0.640 -14.356 1.00 0.00 O ATOM 568 CB ASN A 37 -3.794 3.349 -12.609 1.00 0.00 C ATOM 569 CG ASN A 37 -2.683 3.340 -13.653 1.00 0.00 C ATOM 570 OD1 ASN A 37 -2.100 2.292 -13.932 1.00 0.00 O ATOM 571 ND2 ASN A 37 -2.355 4.452 -14.250 1.00 0.00 N ATOM 0 H ASN A 37 -5.823 3.036 -11.250 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.334 2.812 -14.003 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -4.161 4.365 -12.465 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.405 3.011 -11.648 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.614 4.455 -14.950 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -2.840 5.318 -14.017 1.00 0.00 H new ATOM 578 N LEU A 38 -4.441 0.230 -12.186 1.00 0.00 N ATOM 579 CA LEU A 38 -3.979 -1.152 -12.257 1.00 0.00 C ATOM 580 C LEU A 38 -5.050 -2.043 -12.872 1.00 0.00 C ATOM 581 O LEU A 38 -4.879 -3.257 -12.972 1.00 0.00 O ATOM 582 CB LEU A 38 -3.640 -1.660 -10.853 1.00 0.00 C ATOM 583 CG LEU A 38 -2.401 -0.927 -10.328 1.00 0.00 C ATOM 584 CD1 LEU A 38 -2.282 -1.144 -8.817 1.00 0.00 C ATOM 585 CD2 LEU A 38 -1.139 -1.470 -11.020 1.00 0.00 C ATOM 0 H LEU A 38 -4.769 0.522 -11.266 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.088 -1.186 -12.884 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.484 -1.496 -10.182 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.456 -2.734 -10.878 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.499 0.138 -10.541 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.401 -0.623 -8.443 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.172 -0.754 -8.322 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.189 -2.210 -8.609 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.262 -0.944 -10.642 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.041 -2.536 -10.813 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.219 -1.315 -12.096 1.00 0.00 H new ATOM 597 N GLY A 39 -6.153 -1.429 -13.287 1.00 0.00 N ATOM 598 CA GLY A 39 -7.248 -2.176 -13.896 1.00 0.00 C ATOM 599 C GLY A 39 -8.106 -2.840 -12.833 1.00 0.00 C ATOM 600 O GLY A 39 -8.827 -3.797 -13.112 1.00 0.00 O ATOM 0 H GLY A 39 -6.312 -0.424 -13.214 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.861 -1.505 -14.498 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.847 -2.932 -14.571 1.00 0.00 H new ATOM 604 N GLU A 40 -8.025 -2.329 -11.605 1.00 0.00 N ATOM 605 CA GLU A 40 -8.801 -2.885 -10.495 1.00 0.00 C ATOM 606 C GLU A 40 -9.776 -1.855 -9.952 1.00 0.00 C ATOM 607 O GLU A 40 -9.406 -0.710 -9.700 1.00 0.00 O ATOM 608 CB GLU A 40 -7.857 -3.325 -9.376 1.00 0.00 C ATOM 609 CG GLU A 40 -6.917 -4.418 -9.895 1.00 0.00 C ATOM 610 CD GLU A 40 -7.641 -5.761 -9.936 1.00 0.00 C ATOM 611 OE1 GLU A 40 -8.855 -5.764 -9.818 1.00 0.00 O ATOM 612 OE2 GLU A 40 -6.970 -6.769 -10.071 1.00 0.00 O ATOM 0 H GLU A 40 -7.434 -1.536 -11.354 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.364 -3.742 -10.864 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.278 -2.473 -9.019 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.431 -3.698 -8.528 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.561 -4.158 -10.892 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.040 -4.489 -9.252 1.00 0.00 H new ATOM 619 N LYS A 41 -11.026 -2.267 -9.769 1.00 0.00 N ATOM 620 CA LYS A 41 -12.059 -1.371 -9.249 1.00 0.00 C ATOM 621 C LYS A 41 -12.442 -1.793 -7.839 1.00 0.00 C ATOM 622 O LYS A 41 -13.194 -2.749 -7.647 1.00 0.00 O ATOM 623 CB LYS A 41 -13.295 -1.407 -10.155 1.00 0.00 C ATOM 624 CG LYS A 41 -13.490 -2.824 -10.699 1.00 0.00 C ATOM 625 CD LYS A 41 -14.768 -2.875 -11.534 1.00 0.00 C ATOM 626 CE LYS A 41 -14.964 -4.288 -12.083 1.00 0.00 C ATOM 627 NZ LYS A 41 -16.188 -4.327 -12.933 1.00 0.00 N ATOM 0 H LYS A 41 -11.350 -3.213 -9.972 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.667 -0.354 -9.227 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.178 -1.096 -9.596 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -13.175 -0.703 -10.979 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.633 -3.113 -11.307 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -13.551 -3.536 -9.876 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -15.625 -2.589 -10.924 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.707 -2.160 -12.355 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.093 -4.586 -12.667 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -15.056 -4.999 -11.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -16.321 -5.289 -13.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -17.015 -4.060 -12.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -16.083 -3.660 -13.724 1.00 0.00 H new ATOM 641 N LEU A 42 -11.927 -1.072 -6.848 1.00 0.00 N ATOM 642 CA LEU A 42 -12.223 -1.381 -5.448 1.00 0.00 C ATOM 643 C LEU A 42 -13.207 -0.373 -4.872 1.00 0.00 C ATOM 644 O LEU A 42 -13.221 0.793 -5.262 1.00 0.00 O ATOM 645 CB LEU A 42 -10.922 -1.358 -4.629 1.00 0.00 C ATOM 646 CG LEU A 42 -10.203 -2.705 -4.759 1.00 0.00 C ATOM 647 CD1 LEU A 42 -9.794 -2.934 -6.218 1.00 0.00 C ATOM 648 CD2 LEU A 42 -8.960 -2.704 -3.870 1.00 0.00 C ATOM 0 H LEU A 42 -11.306 -0.274 -6.984 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.672 -2.373 -5.398 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.275 -0.554 -4.980 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.144 -1.154 -3.582 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.873 -3.506 -4.446 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.283 -3.893 -6.306 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.683 -2.937 -6.849 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.125 -2.135 -6.538 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.447 -3.661 -3.961 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.290 -1.902 -4.182 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.255 -2.548 -2.832 1.00 0.00 H new ATOM 660 N THR A 43 -14.028 -0.835 -3.939 1.00 0.00 N ATOM 661 CA THR A 43 -15.017 0.033 -3.314 1.00 0.00 C ATOM 662 C THR A 43 -14.361 0.937 -2.276 1.00 0.00 C ATOM 663 O THR A 43 -13.338 0.592 -1.696 1.00 0.00 O ATOM 664 CB THR A 43 -16.113 -0.823 -2.643 1.00 0.00 C ATOM 665 OG1 THR A 43 -15.592 -2.118 -2.373 1.00 0.00 O ATOM 666 CG2 THR A 43 -17.324 -0.938 -3.566 1.00 0.00 C ATOM 0 H THR A 43 -14.030 -1.797 -3.600 1.00 0.00 H new ATOM 0 HA THR A 43 -15.466 0.659 -4.085 1.00 0.00 H new ATOM 0 HB THR A 43 -16.424 -0.349 -1.712 1.00 0.00 H new ATOM 0 HG1 THR A 43 -16.283 -2.666 -1.945 1.00 0.00 H new ATOM 0 HG21 THR A 43 -18.092 -1.543 -3.085 1.00 0.00 H new ATOM 0 HG22 THR A 43 -17.721 0.056 -3.771 1.00 0.00 H new ATOM 0 HG23 THR A 43 -17.024 -1.409 -4.502 1.00 0.00 H new ATOM 674 N ASP A 44 -14.968 2.094 -2.045 1.00 0.00 N ATOM 675 CA ASP A 44 -14.437 3.041 -1.075 1.00 0.00 C ATOM 676 C ASP A 44 -14.155 2.337 0.250 1.00 0.00 C ATOM 677 O ASP A 44 -13.149 2.613 0.905 1.00 0.00 O ATOM 678 CB ASP A 44 -15.441 4.173 -0.848 1.00 0.00 C ATOM 679 CG ASP A 44 -14.842 5.220 0.087 1.00 0.00 C ATOM 680 OD1 ASP A 44 -13.749 4.991 0.578 1.00 0.00 O ATOM 681 OD2 ASP A 44 -15.487 6.233 0.299 1.00 0.00 O ATOM 0 H ASP A 44 -15.822 2.397 -2.513 1.00 0.00 H new ATOM 0 HA ASP A 44 -13.507 3.455 -1.464 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -15.706 4.632 -1.800 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -16.361 3.774 -0.420 1.00 0.00 H new ATOM 686 N GLU A 45 -15.051 1.433 0.640 1.00 0.00 N ATOM 687 CA GLU A 45 -14.885 0.705 1.895 1.00 0.00 C ATOM 688 C GLU A 45 -13.517 0.022 1.929 1.00 0.00 C ATOM 689 O GLU A 45 -12.848 -0.016 2.946 1.00 0.00 O ATOM 690 CB GLU A 45 -15.988 -0.345 2.033 1.00 0.00 C ATOM 691 CG GLU A 45 -17.344 0.354 2.169 1.00 0.00 C ATOM 692 CD GLU A 45 -18.465 -0.680 2.165 1.00 0.00 C ATOM 693 OE1 GLU A 45 -18.155 -1.859 2.198 1.00 0.00 O ATOM 694 OE2 GLU A 45 -19.615 -0.276 2.133 1.00 0.00 O ATOM 0 H GLU A 45 -15.889 1.189 0.112 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.951 1.410 2.724 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.991 -1.001 1.163 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.801 -0.972 2.905 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.374 0.932 3.093 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.484 1.058 1.348 1.00 0.00 H new ATOM 701 N GLU A 46 -13.111 -0.540 0.810 1.00 0.00 N ATOM 702 CA GLU A 46 -11.819 -1.214 0.739 1.00 0.00 C ATOM 703 C GLU A 46 -10.689 -0.214 0.979 1.00 0.00 C ATOM 704 O GLU A 46 -9.743 -0.482 1.701 1.00 0.00 O ATOM 705 CB GLU A 46 -11.639 -1.841 -0.643 1.00 0.00 C ATOM 706 CG GLU A 46 -12.677 -2.945 -0.848 1.00 0.00 C ATOM 707 CD GLU A 46 -12.413 -4.093 0.119 1.00 0.00 C ATOM 708 OE1 GLU A 46 -11.288 -4.564 0.153 1.00 0.00 O ATOM 709 OE2 GLU A 46 -13.337 -4.482 0.812 1.00 0.00 O ATOM 0 H GLU A 46 -13.646 -0.547 -0.058 1.00 0.00 H new ATOM 0 HA GLU A 46 -11.788 -1.989 1.505 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.747 -1.079 -1.415 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.634 -2.252 -0.738 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -13.679 -2.547 -0.689 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.637 -3.307 -1.875 1.00 0.00 H new ATOM 716 N VAL A 47 -10.790 0.948 0.364 1.00 0.00 N ATOM 717 CA VAL A 47 -9.760 1.966 0.528 1.00 0.00 C ATOM 718 C VAL A 47 -9.677 2.465 1.967 1.00 0.00 C ATOM 719 O VAL A 47 -8.588 2.559 2.550 1.00 0.00 O ATOM 720 CB VAL A 47 -10.064 3.159 -0.392 1.00 0.00 C ATOM 721 CG1 VAL A 47 -9.098 4.313 -0.087 1.00 0.00 C ATOM 722 CG2 VAL A 47 -9.900 2.737 -1.854 1.00 0.00 C ATOM 0 H VAL A 47 -11.562 1.213 -0.247 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.805 1.511 0.267 1.00 0.00 H new ATOM 0 HB VAL A 47 -11.088 3.489 -0.219 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.319 5.155 -0.743 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.216 4.621 0.952 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.073 3.983 -0.254 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.116 3.585 -2.504 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.877 2.402 -2.023 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -10.590 1.923 -2.077 1.00 0.00 H new ATOM 732 N GLU A 48 -10.825 2.808 2.532 1.00 0.00 N ATOM 733 CA GLU A 48 -10.860 3.326 3.889 1.00 0.00 C ATOM 734 C GLU A 48 -10.355 2.293 4.894 1.00 0.00 C ATOM 735 O GLU A 48 -9.533 2.607 5.755 1.00 0.00 O ATOM 736 CB GLU A 48 -12.301 3.761 4.238 1.00 0.00 C ATOM 737 CG GLU A 48 -13.172 2.537 4.533 1.00 0.00 C ATOM 738 CD GLU A 48 -12.964 2.059 5.970 1.00 0.00 C ATOM 739 OE1 GLU A 48 -12.558 2.868 6.786 1.00 0.00 O ATOM 740 OE2 GLU A 48 -13.174 0.887 6.225 1.00 0.00 O ATOM 0 H GLU A 48 -11.735 2.738 2.077 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.196 4.189 3.946 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.288 4.423 5.104 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -12.727 4.327 3.410 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -14.222 2.785 4.375 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.926 1.734 3.838 1.00 0.00 H new ATOM 747 N GLN A 49 -10.880 1.077 4.797 1.00 0.00 N ATOM 748 CA GLN A 49 -10.510 0.024 5.717 1.00 0.00 C ATOM 749 C GLN A 49 -9.013 -0.226 5.625 1.00 0.00 C ATOM 750 O GLN A 49 -8.369 -0.555 6.613 1.00 0.00 O ATOM 751 CB GLN A 49 -11.305 -1.258 5.390 1.00 0.00 C ATOM 752 CG GLN A 49 -10.538 -2.103 4.369 1.00 0.00 C ATOM 753 CD GLN A 49 -11.430 -3.163 3.771 1.00 0.00 C ATOM 754 OE1 GLN A 49 -11.052 -3.809 2.795 1.00 0.00 O ATOM 755 NE2 GLN A 49 -12.603 -3.377 4.292 1.00 0.00 N ATOM 0 H GLN A 49 -11.562 0.802 4.090 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.750 0.324 6.737 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.472 -1.835 6.300 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -12.286 -0.996 4.994 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.148 -1.461 3.579 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.680 -2.573 4.850 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -12.908 -2.836 5.101 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -13.218 -4.085 3.891 1.00 0.00 H new ATOM 764 N MET A 50 -8.470 -0.085 4.415 1.00 0.00 N ATOM 765 CA MET A 50 -7.049 -0.305 4.201 1.00 0.00 C ATOM 766 C MET A 50 -6.244 0.744 4.958 1.00 0.00 C ATOM 767 O MET A 50 -5.205 0.439 5.552 1.00 0.00 O ATOM 768 CB MET A 50 -6.734 -0.223 2.702 1.00 0.00 C ATOM 769 CG MET A 50 -7.062 -1.559 2.032 1.00 0.00 C ATOM 770 SD MET A 50 -6.965 -1.363 0.232 1.00 0.00 S ATOM 771 CE MET A 50 -5.166 -1.445 0.090 1.00 0.00 C ATOM 0 H MET A 50 -8.991 0.178 3.579 1.00 0.00 H new ATOM 0 HA MET A 50 -6.779 -1.294 4.570 1.00 0.00 H new ATOM 0 HB2 MET A 50 -7.314 0.577 2.242 1.00 0.00 H new ATOM 0 HB3 MET A 50 -5.682 0.020 2.554 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.364 -2.327 2.364 1.00 0.00 H new ATOM 0 HG3 MET A 50 -8.060 -1.889 2.321 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.888 -1.540 -0.960 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.727 -0.536 0.501 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.796 -2.308 0.643 1.00 0.00 H new ATOM 781 N ILE A 51 -6.733 1.983 4.936 1.00 0.00 N ATOM 782 CA ILE A 51 -6.053 3.067 5.636 1.00 0.00 C ATOM 783 C ILE A 51 -6.069 2.822 7.140 1.00 0.00 C ATOM 784 O ILE A 51 -5.071 3.035 7.818 1.00 0.00 O ATOM 785 CB ILE A 51 -6.723 4.404 5.319 1.00 0.00 C ATOM 786 CG1 ILE A 51 -6.479 4.759 3.850 1.00 0.00 C ATOM 787 CG2 ILE A 51 -6.140 5.502 6.213 1.00 0.00 C ATOM 788 CD1 ILE A 51 -7.366 5.938 3.454 1.00 0.00 C ATOM 0 H ILE A 51 -7.586 2.257 4.448 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.018 3.100 5.297 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.794 4.323 5.503 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.430 5.012 3.696 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.696 3.899 3.217 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.621 6.453 5.983 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.315 5.251 7.259 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.068 5.585 6.035 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.191 6.190 2.408 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.413 5.668 3.592 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.128 6.799 4.079 1.00 0.00 H new ATOM 800 N LYS A 52 -7.218 2.399 7.656 1.00 0.00 N ATOM 801 CA LYS A 52 -7.352 2.157 9.087 1.00 0.00 C ATOM 802 C LYS A 52 -6.381 1.071 9.536 1.00 0.00 C ATOM 803 O LYS A 52 -5.687 1.223 10.542 1.00 0.00 O ATOM 804 CB LYS A 52 -8.781 1.714 9.402 1.00 0.00 C ATOM 805 CG LYS A 52 -9.747 2.850 9.081 1.00 0.00 C ATOM 806 CD LYS A 52 -11.188 2.395 9.337 1.00 0.00 C ATOM 807 CE LYS A 52 -11.390 2.134 10.835 1.00 0.00 C ATOM 808 NZ LYS A 52 -12.838 2.197 11.160 1.00 0.00 N ATOM 0 H LYS A 52 -8.061 2.218 7.111 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.125 3.081 9.619 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.036 0.829 8.818 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.864 1.437 10.453 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.516 3.720 9.695 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.632 3.155 8.041 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -11.887 3.158 8.994 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.400 1.489 8.769 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.989 1.156 11.101 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.843 2.873 11.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.974 2.020 12.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.207 3.139 10.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.349 1.476 10.612 1.00 0.00 H new ATOM 822 N GLU A 53 -6.330 -0.021 8.780 1.00 0.00 N ATOM 823 CA GLU A 53 -5.433 -1.121 9.114 1.00 0.00 C ATOM 824 C GLU A 53 -3.988 -0.641 9.162 1.00 0.00 C ATOM 825 O GLU A 53 -3.273 -0.887 10.136 1.00 0.00 O ATOM 826 CB GLU A 53 -5.564 -2.233 8.070 1.00 0.00 C ATOM 827 CG GLU A 53 -6.940 -2.889 8.186 1.00 0.00 C ATOM 828 CD GLU A 53 -7.035 -3.677 9.486 1.00 0.00 C ATOM 829 OE1 GLU A 53 -5.996 -4.007 10.032 1.00 0.00 O ATOM 830 OE2 GLU A 53 -8.146 -3.936 9.921 1.00 0.00 O ATOM 0 H GLU A 53 -6.892 -0.167 7.942 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.710 -1.504 10.096 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.429 -1.823 7.069 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.782 -2.978 8.218 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.719 -2.127 8.156 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.109 -3.551 7.337 1.00 0.00 H new ATOM 837 N ALA A 54 -3.563 0.049 8.108 1.00 0.00 N ATOM 838 CA ALA A 54 -2.200 0.564 8.050 1.00 0.00 C ATOM 839 C ALA A 54 -2.018 1.738 9.002 1.00 0.00 C ATOM 840 O ALA A 54 -1.005 1.839 9.686 1.00 0.00 O ATOM 841 CB ALA A 54 -1.875 1.012 6.623 1.00 0.00 C ATOM 0 H ALA A 54 -4.136 0.263 7.291 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.522 -0.235 8.350 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.856 1.396 6.585 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.968 0.164 5.945 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.569 1.796 6.321 1.00 0.00 H new ATOM 847 N ASP A 55 -3.005 2.623 9.035 1.00 0.00 N ATOM 848 CA ASP A 55 -2.945 3.794 9.899 1.00 0.00 C ATOM 849 C ASP A 55 -3.149 3.401 11.352 1.00 0.00 C ATOM 850 O ASP A 55 -4.161 2.797 11.707 1.00 0.00 O ATOM 851 CB ASP A 55 -4.022 4.803 9.496 1.00 0.00 C ATOM 852 CG ASP A 55 -3.836 6.100 10.268 1.00 0.00 C ATOM 853 OD1 ASP A 55 -3.039 6.107 11.188 1.00 0.00 O ATOM 854 OD2 ASP A 55 -4.478 7.074 9.913 1.00 0.00 O ATOM 0 H ASP A 55 -3.855 2.553 8.475 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.959 4.246 9.787 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.967 4.997 8.425 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.011 4.390 9.695 1.00 0.00 H new ATOM 859 N LEU A 56 -2.178 3.741 12.197 1.00 0.00 N ATOM 860 CA LEU A 56 -2.263 3.418 13.623 1.00 0.00 C ATOM 861 C LEU A 56 -2.644 4.653 14.422 1.00 0.00 C ATOM 862 O LEU A 56 -2.917 4.562 15.619 1.00 0.00 O ATOM 863 CB LEU A 56 -0.917 2.880 14.123 1.00 0.00 C ATOM 864 CG LEU A 56 -0.793 1.395 13.771 1.00 0.00 C ATOM 865 CD1 LEU A 56 -0.748 1.225 12.252 1.00 0.00 C ATOM 866 CD2 LEU A 56 0.485 0.831 14.389 1.00 0.00 C ATOM 0 H LEU A 56 -1.329 4.236 11.924 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.029 2.655 13.759 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.099 3.441 13.670 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.838 3.016 15.202 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.655 0.857 14.165 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.660 0.167 12.007 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.663 1.624 11.814 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.111 1.763 11.851 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.574 -0.226 14.139 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.347 1.371 13.997 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.447 0.946 15.472 1.00 0.00 H new ATOM 878 N ASP A 57 -2.661 5.807 13.761 1.00 0.00 N ATOM 879 CA ASP A 57 -3.012 7.064 14.423 1.00 0.00 C ATOM 880 C ASP A 57 -4.289 7.646 13.830 1.00 0.00 C ATOM 881 O ASP A 57 -4.741 8.713 14.240 1.00 0.00 O ATOM 882 CB ASP A 57 -1.865 8.064 14.271 1.00 0.00 C ATOM 883 CG ASP A 57 -1.341 8.049 12.837 1.00 0.00 C ATOM 884 OD1 ASP A 57 -2.148 8.134 11.925 1.00 0.00 O ATOM 885 OD2 ASP A 57 -0.137 7.954 12.673 1.00 0.00 O ATOM 0 H ASP A 57 -2.437 5.900 12.770 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.183 6.865 15.481 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.209 9.065 14.530 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.061 7.814 14.963 1.00 0.00 H new ATOM 890 N GLY A 58 -4.867 6.936 12.866 1.00 0.00 N ATOM 891 CA GLY A 58 -6.095 7.396 12.230 1.00 0.00 C ATOM 892 C GLY A 58 -5.999 8.871 11.865 1.00 0.00 C ATOM 893 O GLY A 58 -6.868 9.666 12.227 1.00 0.00 O ATOM 0 H GLY A 58 -4.509 6.049 12.512 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.287 6.807 11.333 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.939 7.238 12.902 1.00 0.00 H new ATOM 897 N ASP A 59 -4.937 9.237 11.151 1.00 0.00 N ATOM 898 CA ASP A 59 -4.738 10.626 10.744 1.00 0.00 C ATOM 899 C ASP A 59 -5.400 10.890 9.397 1.00 0.00 C ATOM 900 O ASP A 59 -5.295 11.986 8.848 1.00 0.00 O ATOM 901 CB ASP A 59 -3.243 10.934 10.653 1.00 0.00 C ATOM 902 CG ASP A 59 -2.549 9.903 9.771 1.00 0.00 C ATOM 903 OD1 ASP A 59 -3.205 8.958 9.373 1.00 0.00 O ATOM 904 OD2 ASP A 59 -1.370 10.070 9.513 1.00 0.00 O ATOM 0 H ASP A 59 -4.205 8.596 10.844 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.196 11.274 11.492 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.094 11.933 10.244 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.801 10.928 11.649 1.00 0.00 H new ATOM 909 N GLY A 60 -6.089 9.881 8.873 1.00 0.00 N ATOM 910 CA GLY A 60 -6.774 10.016 7.592 1.00 0.00 C ATOM 911 C GLY A 60 -5.837 9.704 6.437 1.00 0.00 C ATOM 912 O GLY A 60 -6.264 9.617 5.286 1.00 0.00 O ATOM 0 H GLY A 60 -6.188 8.966 9.313 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.631 9.343 7.561 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.161 11.030 7.487 1.00 0.00 H new ATOM 916 N GLN A 61 -4.555 9.535 6.747 1.00 0.00 N ATOM 917 CA GLN A 61 -3.559 9.233 5.720 1.00 0.00 C ATOM 918 C GLN A 61 -2.607 8.148 6.204 1.00 0.00 C ATOM 919 O GLN A 61 -2.463 7.919 7.405 1.00 0.00 O ATOM 920 CB GLN A 61 -2.769 10.496 5.378 1.00 0.00 C ATOM 921 CG GLN A 61 -1.993 10.969 6.609 1.00 0.00 C ATOM 922 CD GLN A 61 -1.292 12.288 6.310 1.00 0.00 C ATOM 923 OE1 GLN A 61 -1.465 12.852 5.230 1.00 0.00 O ATOM 924 NE2 GLN A 61 -0.509 12.818 7.209 1.00 0.00 N ATOM 0 H GLN A 61 -4.182 9.601 7.694 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.075 8.875 4.829 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.080 10.295 4.557 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -3.447 11.280 5.040 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.673 11.092 7.452 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.260 10.216 6.898 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.368 12.348 8.103 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.038 13.702 7.018 1.00 0.00 H new ATOM 933 N VAL A 62 -1.955 7.477 5.261 1.00 0.00 N ATOM 934 CA VAL A 62 -1.018 6.408 5.601 1.00 0.00 C ATOM 935 C VAL A 62 0.418 6.907 5.493 1.00 0.00 C ATOM 936 O VAL A 62 0.792 7.550 4.503 1.00 0.00 O ATOM 937 CB VAL A 62 -1.218 5.221 4.662 1.00 0.00 C ATOM 938 CG1 VAL A 62 -0.417 4.023 5.174 1.00 0.00 C ATOM 939 CG2 VAL A 62 -2.701 4.858 4.604 1.00 0.00 C ATOM 0 H VAL A 62 -2.056 7.651 4.261 1.00 0.00 H new ATOM 0 HA VAL A 62 -1.208 6.094 6.627 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.872 5.488 3.663 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.560 3.176 4.503 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.641 4.282 5.211 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.760 3.756 6.174 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.842 4.010 3.933 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.050 4.593 5.602 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.270 5.711 4.235 1.00 0.00 H new ATOM 949 N ASN A 63 1.216 6.614 6.518 1.00 0.00 N ATOM 950 CA ASN A 63 2.616 7.035 6.536 1.00 0.00 C ATOM 951 C ASN A 63 3.500 5.982 5.879 1.00 0.00 C ATOM 952 O ASN A 63 3.135 4.809 5.801 1.00 0.00 O ATOM 953 CB ASN A 63 3.074 7.264 7.977 1.00 0.00 C ATOM 954 CG ASN A 63 4.493 7.819 7.990 1.00 0.00 C ATOM 955 OD1 ASN A 63 4.867 8.594 7.107 1.00 0.00 O ATOM 956 ND2 ASN A 63 5.313 7.468 8.941 1.00 0.00 N ATOM 0 H ASN A 63 0.920 6.090 7.342 1.00 0.00 H new ATOM 0 HA ASN A 63 2.704 7.966 5.976 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.398 7.959 8.476 1.00 0.00 H new ATOM 0 HB3 ASN A 63 3.036 6.327 8.533 1.00 0.00 H new ATOM 0 HD21 ASN A 63 6.265 7.835 8.955 1.00 0.00 H new ATOM 0 HD22 ASN A 63 5.003 6.827 9.671 1.00 0.00 H new ATOM 963 N TYR A 64 4.663 6.410 5.402 1.00 0.00 N ATOM 964 CA TYR A 64 5.588 5.496 4.747 1.00 0.00 C ATOM 965 C TYR A 64 5.888 4.302 5.648 1.00 0.00 C ATOM 966 O TYR A 64 5.920 3.163 5.189 1.00 0.00 O ATOM 967 CB TYR A 64 6.894 6.227 4.415 1.00 0.00 C ATOM 968 CG TYR A 64 7.892 5.248 3.834 1.00 0.00 C ATOM 969 CD1 TYR A 64 7.702 4.739 2.546 1.00 0.00 C ATOM 970 CD2 TYR A 64 9.001 4.846 4.588 1.00 0.00 C ATOM 971 CE1 TYR A 64 8.619 3.830 2.008 1.00 0.00 C ATOM 972 CE2 TYR A 64 9.919 3.938 4.052 1.00 0.00 C ATOM 973 CZ TYR A 64 9.730 3.430 2.761 1.00 0.00 C ATOM 974 OH TYR A 64 10.635 2.534 2.232 1.00 0.00 O ATOM 0 H TYR A 64 4.985 7.376 5.456 1.00 0.00 H new ATOM 0 HA TYR A 64 5.127 5.137 3.827 1.00 0.00 H new ATOM 0 HB2 TYR A 64 6.702 7.031 3.704 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.303 6.688 5.314 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.846 5.048 1.965 1.00 0.00 H new ATOM 0 HD2 TYR A 64 9.147 5.237 5.584 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.470 3.437 1.013 1.00 0.00 H new ATOM 0 HE2 TYR A 64 10.774 3.628 4.634 1.00 0.00 H new ATOM 0 HH TYR A 64 11.346 2.364 2.884 1.00 0.00 H new ATOM 984 N GLU A 65 6.109 4.573 6.929 1.00 0.00 N ATOM 985 CA GLU A 65 6.414 3.511 7.880 1.00 0.00 C ATOM 986 C GLU A 65 5.251 2.525 7.970 1.00 0.00 C ATOM 987 O GLU A 65 5.453 1.310 8.016 1.00 0.00 O ATOM 988 CB GLU A 65 6.678 4.112 9.262 1.00 0.00 C ATOM 989 CG GLU A 65 7.802 5.143 9.161 1.00 0.00 C ATOM 990 CD GLU A 65 8.090 5.738 10.536 1.00 0.00 C ATOM 991 OE1 GLU A 65 7.437 5.335 11.482 1.00 0.00 O ATOM 992 OE2 GLU A 65 8.964 6.587 10.622 1.00 0.00 O ATOM 0 H GLU A 65 6.083 5.510 7.330 1.00 0.00 H new ATOM 0 HA GLU A 65 7.302 2.982 7.535 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.772 4.582 9.646 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.952 3.326 9.966 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.702 4.674 8.763 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.520 5.933 8.465 1.00 0.00 H new ATOM 999 N GLU A 66 4.035 3.059 7.991 1.00 0.00 N ATOM 1000 CA GLU A 66 2.841 2.217 8.075 1.00 0.00 C ATOM 1001 C GLU A 66 2.732 1.321 6.839 1.00 0.00 C ATOM 1002 O GLU A 66 2.263 0.180 6.909 1.00 0.00 O ATOM 1003 CB GLU A 66 1.594 3.093 8.194 1.00 0.00 C ATOM 1004 CG GLU A 66 1.599 3.808 9.545 1.00 0.00 C ATOM 1005 CD GLU A 66 0.511 4.879 9.575 1.00 0.00 C ATOM 1006 OE1 GLU A 66 -0.127 5.085 8.555 1.00 0.00 O ATOM 1007 OE2 GLU A 66 0.339 5.487 10.616 1.00 0.00 O ATOM 0 H GLU A 66 3.848 4.061 7.952 1.00 0.00 H new ATOM 0 HA GLU A 66 2.921 1.585 8.959 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.571 3.823 7.385 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.697 2.482 8.098 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.434 3.088 10.347 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.574 4.263 9.721 1.00 0.00 H new ATOM 1014 N PHE A 67 3.161 1.848 5.702 1.00 0.00 N ATOM 1015 CA PHE A 67 3.116 1.090 4.460 1.00 0.00 C ATOM 1016 C PHE A 67 4.150 -0.031 4.476 1.00 0.00 C ATOM 1017 O PHE A 67 3.877 -1.153 4.047 1.00 0.00 O ATOM 1018 CB PHE A 67 3.380 2.013 3.269 1.00 0.00 C ATOM 1019 CG PHE A 67 3.342 1.210 1.989 1.00 0.00 C ATOM 1020 CD1 PHE A 67 4.499 0.565 1.535 1.00 0.00 C ATOM 1021 CD2 PHE A 67 2.153 1.115 1.257 1.00 0.00 C ATOM 1022 CE1 PHE A 67 4.466 -0.177 0.349 1.00 0.00 C ATOM 1023 CE2 PHE A 67 2.122 0.372 0.070 1.00 0.00 C ATOM 1024 CZ PHE A 67 3.278 -0.275 -0.384 1.00 0.00 C ATOM 0 H PHE A 67 3.542 2.790 5.613 1.00 0.00 H new ATOM 0 HA PHE A 67 2.123 0.652 4.364 1.00 0.00 H new ATOM 0 HB2 PHE A 67 2.631 2.805 3.236 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.351 2.497 3.379 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.416 0.640 2.100 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.261 1.614 1.607 1.00 0.00 H new ATOM 0 HE1 PHE A 67 5.358 -0.675 -0.001 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.205 0.298 -0.496 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.253 -0.849 -1.299 1.00 0.00 H new ATOM 1034 N VAL A 68 5.351 0.287 4.952 1.00 0.00 N ATOM 1035 CA VAL A 68 6.422 -0.700 4.995 1.00 0.00 C ATOM 1036 C VAL A 68 6.049 -1.880 5.891 1.00 0.00 C ATOM 1037 O VAL A 68 6.113 -3.044 5.470 1.00 0.00 O ATOM 1038 CB VAL A 68 7.704 -0.046 5.534 1.00 0.00 C ATOM 1039 CG1 VAL A 68 8.771 -1.119 5.773 1.00 0.00 C ATOM 1040 CG2 VAL A 68 8.228 0.970 4.516 1.00 0.00 C ATOM 0 H VAL A 68 5.604 1.209 5.309 1.00 0.00 H new ATOM 0 HA VAL A 68 6.584 -1.069 3.982 1.00 0.00 H new ATOM 0 HB VAL A 68 7.480 0.459 6.474 1.00 0.00 H new ATOM 0 HG11 VAL A 68 9.678 -0.651 6.155 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.402 -1.843 6.500 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.992 -1.627 4.835 1.00 0.00 H new ATOM 0 HG21 VAL A 68 9.137 1.433 4.899 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.447 0.463 3.576 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.473 1.738 4.347 1.00 0.00 H new ATOM 1050 N LYS A 69 5.658 -1.577 7.125 1.00 0.00 N ATOM 1051 CA LYS A 69 5.290 -2.623 8.070 1.00 0.00 C ATOM 1052 C LYS A 69 4.137 -3.452 7.524 1.00 0.00 C ATOM 1053 O LYS A 69 4.105 -4.675 7.690 1.00 0.00 O ATOM 1054 CB LYS A 69 4.904 -2.000 9.411 1.00 0.00 C ATOM 1055 CG LYS A 69 3.580 -1.252 9.270 1.00 0.00 C ATOM 1056 CD LYS A 69 3.270 -0.497 10.560 1.00 0.00 C ATOM 1057 CE LYS A 69 3.191 -1.486 11.724 1.00 0.00 C ATOM 1058 NZ LYS A 69 2.403 -0.883 12.832 1.00 0.00 N ATOM 0 H LYS A 69 5.589 -0.627 7.490 1.00 0.00 H new ATOM 0 HA LYS A 69 6.147 -3.280 8.217 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.815 -2.776 10.171 1.00 0.00 H new ATOM 0 HB3 LYS A 69 5.685 -1.316 9.743 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.634 -0.555 8.434 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.777 -1.955 9.048 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.043 0.247 10.753 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.327 0.041 10.461 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.725 -2.415 11.395 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.193 -1.737 12.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.175 -1.615 13.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.960 -0.131 13.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.522 -0.481 12.453 1.00 0.00 H new ATOM 1072 N MET A 70 3.191 -2.781 6.874 1.00 0.00 N ATOM 1073 CA MET A 70 2.048 -3.474 6.304 1.00 0.00 C ATOM 1074 C MET A 70 2.487 -4.399 5.179 1.00 0.00 C ATOM 1075 O MET A 70 1.976 -5.505 5.048 1.00 0.00 O ATOM 1076 CB MET A 70 1.033 -2.454 5.768 1.00 0.00 C ATOM 1077 CG MET A 70 0.165 -1.928 6.912 1.00 0.00 C ATOM 1078 SD MET A 70 -0.801 -3.285 7.635 1.00 0.00 S ATOM 1079 CE MET A 70 -1.780 -3.676 6.168 1.00 0.00 C ATOM 0 H MET A 70 3.195 -1.771 6.732 1.00 0.00 H new ATOM 0 HA MET A 70 1.583 -4.073 7.087 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.556 -1.627 5.287 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.405 -2.919 5.008 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.794 -1.471 7.676 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.504 -1.151 6.544 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.802 -3.912 6.465 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.786 -2.818 5.496 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.343 -4.534 5.657 1.00 0.00 H new ATOM 1089 N MET A 71 3.436 -3.942 4.377 1.00 0.00 N ATOM 1090 CA MET A 71 3.934 -4.738 3.270 1.00 0.00 C ATOM 1091 C MET A 71 4.605 -6.003 3.781 1.00 0.00 C ATOM 1092 O MET A 71 4.586 -7.041 3.115 1.00 0.00 O ATOM 1093 CB MET A 71 4.929 -3.920 2.442 1.00 0.00 C ATOM 1094 CG MET A 71 5.396 -4.741 1.236 1.00 0.00 C ATOM 1095 SD MET A 71 3.989 -5.097 0.153 1.00 0.00 S ATOM 1096 CE MET A 71 4.107 -3.612 -0.867 1.00 0.00 C ATOM 0 H MET A 71 3.875 -3.026 4.473 1.00 0.00 H new ATOM 0 HA MET A 71 3.090 -5.021 2.641 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.462 -2.995 2.105 1.00 0.00 H new ATOM 0 HB3 MET A 71 5.785 -3.640 3.057 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.161 -4.193 0.686 1.00 0.00 H new ATOM 0 HG3 MET A 71 5.852 -5.672 1.573 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.130 -3.133 -0.927 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.823 -2.921 -0.422 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.439 -3.884 -1.869 1.00 0.00 H new ATOM 1106 N MET A 72 5.204 -5.909 4.960 1.00 0.00 N ATOM 1107 CA MET A 72 5.881 -7.061 5.553 1.00 0.00 C ATOM 1108 C MET A 72 4.875 -7.996 6.222 1.00 0.00 C ATOM 1109 O MET A 72 4.824 -9.189 5.919 1.00 0.00 O ATOM 1110 CB MET A 72 6.903 -6.591 6.586 1.00 0.00 C ATOM 1111 CG MET A 72 8.079 -5.922 5.871 1.00 0.00 C ATOM 1112 SD MET A 72 9.285 -5.356 7.094 1.00 0.00 S ATOM 1113 CE MET A 72 10.379 -4.486 5.945 1.00 0.00 C ATOM 0 H MET A 72 5.237 -5.058 5.522 1.00 0.00 H new ATOM 0 HA MET A 72 6.389 -7.605 4.757 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.439 -5.890 7.280 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.256 -7.437 7.176 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.547 -6.625 5.182 1.00 0.00 H new ATOM 0 HG3 MET A 72 7.725 -5.080 5.276 1.00 0.00 H new ATOM 0 HE1 MET A 72 11.380 -4.915 6.000 1.00 0.00 H new ATOM 0 HE2 MET A 72 9.996 -4.588 4.930 1.00 0.00 H new ATOM 0 HE3 MET A 72 10.422 -3.430 6.212 1.00 0.00 H new ATOM 1123 N THR A 73 4.080 -7.448 7.139 1.00 0.00 N ATOM 1124 CA THR A 73 3.092 -8.245 7.850 1.00 0.00 C ATOM 1125 C THR A 73 2.296 -9.109 6.879 1.00 0.00 C ATOM 1126 O THR A 73 1.799 -10.172 7.247 1.00 0.00 O ATOM 1127 CB THR A 73 2.135 -7.327 8.615 1.00 0.00 C ATOM 1128 OG1 THR A 73 2.863 -6.598 9.595 1.00 0.00 O ATOM 1129 CG2 THR A 73 1.051 -8.165 9.296 1.00 0.00 C ATOM 0 H THR A 73 4.103 -6.463 7.403 1.00 0.00 H new ATOM 0 HA THR A 73 3.616 -8.895 8.551 1.00 0.00 H new ATOM 0 HB THR A 73 1.665 -6.631 7.920 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.370 -5.881 9.160 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.372 -7.509 9.840 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.493 -8.721 8.542 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.515 -8.864 9.992 1.00 0.00 H new ATOM 1137 N VAL A 74 2.182 -8.648 5.642 1.00 0.00 N ATOM 1138 CA VAL A 74 1.435 -9.391 4.635 1.00 0.00 C ATOM 1139 C VAL A 74 1.994 -10.798 4.484 1.00 0.00 C ATOM 1140 O VAL A 74 1.239 -11.769 4.451 1.00 0.00 O ATOM 1141 CB VAL A 74 1.512 -8.656 3.287 1.00 0.00 C ATOM 1142 CG1 VAL A 74 1.051 -9.590 2.160 1.00 0.00 C ATOM 1143 CG2 VAL A 74 0.602 -7.411 3.327 1.00 0.00 C ATOM 0 H VAL A 74 2.591 -7.774 5.313 1.00 0.00 H new ATOM 0 HA VAL A 74 0.395 -9.462 4.954 1.00 0.00 H new ATOM 0 HB VAL A 74 2.542 -8.350 3.103 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.107 -9.065 1.206 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.695 -10.469 2.129 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.022 -9.901 2.343 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.656 -6.890 2.371 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.427 -7.718 3.515 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.933 -6.744 4.123 1.00 0.00 H new ATOM 1205 N GLY A 80 -5.430 -7.488 6.624 1.00 0.00 N ATOM 1206 CA GLY A 80 -6.326 -6.693 5.777 1.00 0.00 C ATOM 1207 C GLY A 80 -6.640 -7.431 4.477 1.00 0.00 C ATOM 1208 O GLY A 80 -5.827 -8.218 3.986 1.00 0.00 O ATOM 0 HA2 GLY A 80 -7.251 -6.484 6.314 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.864 -5.732 5.552 1.00 0.00 H new ATOM 1212 N ASN A 81 -7.814 -7.182 3.926 1.00 0.00 N ATOM 1213 CA ASN A 81 -8.220 -7.845 2.691 1.00 0.00 C ATOM 1214 C ASN A 81 -7.810 -7.020 1.476 1.00 0.00 C ATOM 1215 O ASN A 81 -7.523 -7.565 0.406 1.00 0.00 O ATOM 1216 CB ASN A 81 -9.737 -8.049 2.695 1.00 0.00 C ATOM 1217 CG ASN A 81 -10.446 -6.701 2.733 1.00 0.00 C ATOM 1218 OD1 ASN A 81 -10.147 -5.819 1.931 1.00 0.00 O ATOM 1219 ND2 ASN A 81 -11.373 -6.484 3.625 1.00 0.00 N ATOM 0 H ASN A 81 -8.501 -6.532 4.307 1.00 0.00 H new ATOM 0 HA ASN A 81 -7.722 -8.813 2.633 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -10.040 -8.603 1.806 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.029 -8.647 3.558 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -11.849 -5.583 3.657 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -11.621 -7.216 4.291 1.00 0.00 H new ATOM 1226 N GLY A 82 -7.772 -5.702 1.647 1.00 0.00 N ATOM 1227 CA GLY A 82 -7.394 -4.818 0.557 1.00 0.00 C ATOM 1228 C GLY A 82 -5.897 -4.905 0.272 1.00 0.00 C ATOM 1229 O GLY A 82 -5.480 -5.060 -0.878 1.00 0.00 O ATOM 0 H GLY A 82 -7.997 -5.229 2.522 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.954 -5.082 -0.340 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.660 -3.791 0.808 1.00 0.00 H new ATOM 1233 N TRP A 83 -5.095 -4.815 1.330 1.00 0.00 N ATOM 1234 CA TRP A 83 -3.646 -4.892 1.183 1.00 0.00 C ATOM 1235 C TRP A 83 -3.253 -6.231 0.564 1.00 0.00 C ATOM 1236 O TRP A 83 -2.415 -6.288 -0.333 1.00 0.00 O ATOM 1237 CB TRP A 83 -2.977 -4.741 2.550 1.00 0.00 C ATOM 1238 CG TRP A 83 -3.257 -3.381 3.095 1.00 0.00 C ATOM 1239 CD1 TRP A 83 -4.114 -3.112 4.107 1.00 0.00 C ATOM 1240 CD2 TRP A 83 -2.703 -2.102 2.676 1.00 0.00 C ATOM 1241 NE1 TRP A 83 -4.118 -1.748 4.338 1.00 0.00 N ATOM 1242 CE2 TRP A 83 -3.264 -1.082 3.482 1.00 0.00 C ATOM 1243 CE3 TRP A 83 -1.776 -1.729 1.686 1.00 0.00 C ATOM 1244 CZ2 TRP A 83 -2.919 0.260 3.311 1.00 0.00 C ATOM 1245 CZ3 TRP A 83 -1.427 -0.381 1.512 1.00 0.00 C ATOM 1246 CH2 TRP A 83 -1.996 0.611 2.322 1.00 0.00 C ATOM 0 H TRP A 83 -5.420 -4.690 2.289 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.314 -4.086 0.529 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.350 -5.502 3.235 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -1.902 -4.893 2.459 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -4.699 -3.842 4.646 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -4.683 -1.290 5.053 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -1.330 -2.485 1.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -3.362 1.020 3.938 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -0.715 -0.106 0.748 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -1.721 1.646 2.182 1.00 0.00 H new ATOM 1257 N SER A 84 -3.872 -7.305 1.046 1.00 0.00 N ATOM 1258 CA SER A 84 -3.583 -8.639 0.529 1.00 0.00 C ATOM 1259 C SER A 84 -3.916 -8.719 -0.958 1.00 0.00 C ATOM 1260 O SER A 84 -3.193 -9.349 -1.735 1.00 0.00 O ATOM 1261 CB SER A 84 -4.402 -9.684 1.289 1.00 0.00 C ATOM 1262 OG SER A 84 -3.995 -9.701 2.650 1.00 0.00 O ATOM 0 H SER A 84 -4.571 -7.279 1.788 1.00 0.00 H new ATOM 0 HA SER A 84 -2.520 -8.838 0.667 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.465 -9.452 1.218 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.260 -10.668 0.843 1.00 0.00 H new ATOM 0 HG SER A 84 -4.642 -9.202 3.191 1.00 0.00 H new ATOM 1268 N ARG A 85 -5.006 -8.060 -1.352 1.00 0.00 N ATOM 1269 CA ARG A 85 -5.406 -8.051 -2.757 1.00 0.00 C ATOM 1270 C ARG A 85 -4.371 -7.342 -3.622 1.00 0.00 C ATOM 1271 O ARG A 85 -4.051 -7.799 -4.721 1.00 0.00 O ATOM 1272 CB ARG A 85 -6.774 -7.376 -2.905 1.00 0.00 C ATOM 1273 CG ARG A 85 -7.883 -8.372 -2.550 1.00 0.00 C ATOM 1274 CD ARG A 85 -9.240 -7.680 -2.658 1.00 0.00 C ATOM 1275 NE ARG A 85 -10.309 -8.617 -2.335 1.00 0.00 N ATOM 1276 CZ ARG A 85 -11.566 -8.371 -2.688 1.00 0.00 C ATOM 1277 NH1 ARG A 85 -11.860 -7.278 -3.336 1.00 0.00 N ATOM 1278 NH2 ARG A 85 -12.506 -9.224 -2.384 1.00 0.00 N ATOM 0 H ARG A 85 -5.618 -7.534 -0.729 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.475 -9.084 -3.099 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.833 -6.504 -2.253 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.906 -7.019 -3.927 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -7.845 -9.230 -3.222 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.736 -8.752 -1.539 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -9.277 -6.827 -1.980 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -9.379 -7.292 -3.667 1.00 0.00 H new ATOM 0 HE ARG A 85 -10.088 -9.475 -1.830 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -11.125 -6.612 -3.572 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -12.825 -7.090 -3.607 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -12.275 -10.078 -1.876 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -13.472 -9.037 -2.654 1.00 0.00 H new ATOM 1292 N LEU A 86 -3.863 -6.224 -3.122 1.00 0.00 N ATOM 1293 CA LEU A 86 -2.866 -5.465 -3.857 1.00 0.00 C ATOM 1294 C LEU A 86 -1.540 -6.221 -3.895 1.00 0.00 C ATOM 1295 O LEU A 86 -0.863 -6.254 -4.920 1.00 0.00 O ATOM 1296 CB LEU A 86 -2.664 -4.096 -3.202 1.00 0.00 C ATOM 1297 CG LEU A 86 -1.638 -3.283 -4.003 1.00 0.00 C ATOM 1298 CD1 LEU A 86 -2.193 -2.974 -5.403 1.00 0.00 C ATOM 1299 CD2 LEU A 86 -1.340 -1.977 -3.267 1.00 0.00 C ATOM 0 H LEU A 86 -4.123 -5.827 -2.219 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.219 -5.326 -4.879 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.612 -3.560 -3.158 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.321 -4.221 -2.175 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.720 -3.861 -4.105 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.460 -2.397 -5.966 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.400 -3.907 -5.927 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.114 -2.398 -5.310 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.611 -1.398 -3.834 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.259 -1.401 -3.162 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.937 -2.200 -2.279 1.00 0.00 H new ATOM 1311 N ARG A 87 -1.173 -6.805 -2.762 1.00 0.00 N ATOM 1312 CA ARG A 87 0.077 -7.543 -2.667 1.00 0.00 C ATOM 1313 C ARG A 87 -0.019 -8.871 -3.409 1.00 0.00 C ATOM 1314 O ARG A 87 0.989 -9.537 -3.647 1.00 0.00 O ATOM 1315 CB ARG A 87 0.434 -7.780 -1.182 1.00 0.00 C ATOM 1316 CG ARG A 87 1.778 -7.113 -0.851 1.00 0.00 C ATOM 1317 CD ARG A 87 2.924 -7.951 -1.451 1.00 0.00 C ATOM 1318 NE ARG A 87 3.977 -7.078 -1.945 1.00 0.00 N ATOM 1319 CZ ARG A 87 5.063 -7.576 -2.523 1.00 0.00 C ATOM 1320 NH1 ARG A 87 5.199 -8.868 -2.653 1.00 0.00 N ATOM 1321 NH2 ARG A 87 5.996 -6.777 -2.965 1.00 0.00 N ATOM 0 H ARG A 87 -1.720 -6.782 -1.901 1.00 0.00 H new ATOM 0 HA ARG A 87 0.866 -6.953 -3.133 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -0.350 -7.375 -0.542 1.00 0.00 H new ATOM 0 HB3 ARG A 87 0.490 -8.850 -0.979 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.803 -6.100 -1.253 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.900 -7.030 0.229 1.00 0.00 H new ATOM 0 HD2 ARG A 87 3.325 -8.626 -0.695 1.00 0.00 H new ATOM 0 HD3 ARG A 87 2.545 -8.571 -2.263 1.00 0.00 H new ATOM 0 HE ARG A 87 3.879 -6.068 -1.846 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.471 -9.495 -2.310 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.034 -9.251 -3.097 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.891 -5.767 -2.867 1.00 0.00 H new ATOM 0 HH22 ARG A 87 6.830 -7.163 -3.409 1.00 0.00 H new ATOM 1335 N ARG A 88 -1.232 -9.250 -3.758 1.00 0.00 N ATOM 1336 CA ARG A 88 -1.447 -10.499 -4.475 1.00 0.00 C ATOM 1337 C ARG A 88 -1.155 -10.336 -5.960 1.00 0.00 C ATOM 1338 O ARG A 88 -0.495 -11.176 -6.573 1.00 0.00 O ATOM 1339 CB ARG A 88 -2.890 -10.965 -4.289 1.00 0.00 C ATOM 1340 CG ARG A 88 -3.097 -12.299 -5.004 1.00 0.00 C ATOM 1341 CD ARG A 88 -4.506 -12.821 -4.720 1.00 0.00 C ATOM 1342 NE ARG A 88 -4.742 -14.062 -5.447 1.00 0.00 N ATOM 1343 CZ ARG A 88 -5.968 -14.553 -5.589 1.00 0.00 C ATOM 1344 NH1 ARG A 88 -6.987 -13.922 -5.072 1.00 0.00 N ATOM 1345 NH2 ARG A 88 -6.154 -15.666 -6.246 1.00 0.00 N ATOM 0 H ARG A 88 -2.080 -8.719 -3.561 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.764 -11.244 -4.067 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -3.114 -11.072 -3.228 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.577 -10.218 -4.686 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.954 -12.174 -6.077 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.355 -13.023 -4.666 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.630 -12.989 -3.650 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -5.244 -12.074 -5.013 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.952 -14.562 -5.854 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -6.842 -13.052 -4.559 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -7.929 -14.299 -5.181 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -5.358 -16.159 -6.650 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -7.096 -16.043 -6.355 1.00 0.00 H new