USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 584 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 54 SER OG : rot 86:sc= 0.0484 USER MOD Set 1.2: A 64 GLN : amide:sc= -0.0822 X(o=-0.034,f=0.03) USER MOD Single : A 17 SER OG : rot -104:sc= 0.852 USER MOD Single : A 18 GLN :FLIP amide:sc= -3.13! C(o=-5.6!,f=-3.1!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -118:sc= -3.31! USER MOD Single : A 27 SER OG : rot -128:sc= 1.16 USER MOD Single : A 29 LYS NZ :NH3+ -152:sc= 1.33 (180deg=0.361) USER MOD Single : A 35 MET CE :methyl 173:sc= 0 (180deg=-0.0366) USER MOD Single : A 45 SER OG : rot 85:sc= 0.752 USER MOD Single : A 48 THR OG1 : rot 131:sc= 0.681 USER MOD Single : A 52 THR OG1 : rot 30:sc= 0.0825 USER MOD Single : A 56 ASN : amide:sc= -0.412 X(o=-0.41,f=-0.82) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN :FLIP amide:sc= -7.31! C(o=-10!,f=-7.3!) USER MOD Single : A 66 ASN : amide:sc= -0.147 X(o=-0.15,f=-0.045) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.00778 USER MOD Single : A 73 SER OG : rot 180:sc= -1.14 USER MOD Single : A 75 GLN : amide:sc= 0.768 K(o=0.77,f=0) USER MOD Single : A 76 GLN : amide:sc= 0.156 K(o=0.16,f=-8.3!) USER MOD Single : A 82 THR OG1 : rot 82:sc= 0.382 USER MOD Single : A 84 GLN :FLIP amide:sc= 0 F(o=-0.99,f=0) USER MOD ----------------------------------------------------------------- ATOM 89 N ARG A 6 -8.035 -7.848 -0.197 1.00 0.00 N ATOM 90 CA ARG A 6 -8.271 -6.616 0.534 1.00 0.00 C ATOM 91 C ARG A 6 -7.575 -6.882 1.824 1.00 0.00 C ATOM 92 O ARG A 6 -7.846 -7.893 2.504 1.00 0.00 O ATOM 93 CB ARG A 6 -9.728 -6.230 0.778 1.00 0.00 C ATOM 94 CG ARG A 6 -10.515 -5.891 -0.461 1.00 0.00 C ATOM 95 CD ARG A 6 -11.856 -5.291 -0.114 1.00 0.00 C ATOM 96 NE ARG A 6 -12.612 -4.908 -1.308 1.00 0.00 N ATOM 97 CZ ARG A 6 -12.365 -3.811 -2.032 1.00 0.00 C ATOM 98 NH1 ARG A 6 -11.363 -3.001 -1.699 1.00 0.00 N ATOM 99 NH2 ARG A 6 -13.113 -3.532 -3.097 1.00 0.00 N ATOM 0 HA ARG A 6 -7.913 -5.762 -0.042 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -10.225 -7.053 1.291 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -9.753 -5.373 1.451 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -9.948 -5.190 -1.073 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -10.661 -6.791 -1.059 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -12.435 -6.009 0.467 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -11.709 -4.415 0.518 1.00 0.00 H new ATOM 0 HE ARG A 6 -13.375 -5.516 -1.606 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -10.781 -3.216 -0.890 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -11.177 -2.165 -2.253 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -13.876 -4.155 -3.362 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -12.923 -2.695 -3.648 1.00 0.00 H new ATOM 113 N LEU A 7 -6.548 -6.138 2.082 1.00 0.00 N ATOM 114 CA LEU A 7 -5.769 -6.530 3.200 1.00 0.00 C ATOM 115 C LEU A 7 -5.696 -5.390 4.167 1.00 0.00 C ATOM 116 O LEU A 7 -6.093 -4.274 3.842 1.00 0.00 O ATOM 117 CB LEU A 7 -4.373 -6.997 2.805 1.00 0.00 C ATOM 118 CG LEU A 7 -4.286 -7.606 1.421 1.00 0.00 C ATOM 119 CD1 LEU A 7 -2.893 -8.137 1.130 1.00 0.00 C ATOM 120 CD2 LEU A 7 -5.333 -8.660 1.179 1.00 0.00 C ATOM 0 H LEU A 7 -6.246 -5.309 1.570 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.255 -7.386 3.669 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.690 -6.149 2.859 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.029 -7.731 3.534 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.491 -6.797 0.720 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.869 -8.566 0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.172 -7.322 1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.636 -8.905 1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.221 -9.060 0.171 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.213 -9.465 1.904 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.324 -8.220 1.286 1.00 0.00 H new ATOM 132 N PHE A 8 -5.151 -5.645 5.317 1.00 0.00 N ATOM 133 CA PHE A 8 -5.066 -4.549 6.283 1.00 0.00 C ATOM 134 C PHE A 8 -3.729 -3.866 6.102 1.00 0.00 C ATOM 135 O PHE A 8 -2.757 -4.212 6.765 1.00 0.00 O ATOM 136 CB PHE A 8 -5.171 -5.023 7.744 1.00 0.00 C ATOM 137 CG PHE A 8 -6.437 -5.746 8.137 1.00 0.00 C ATOM 138 CD1 PHE A 8 -6.956 -6.773 7.365 1.00 0.00 C ATOM 139 CD2 PHE A 8 -7.079 -5.419 9.321 1.00 0.00 C ATOM 140 CE1 PHE A 8 -8.090 -7.458 7.763 1.00 0.00 C ATOM 141 CE2 PHE A 8 -8.217 -6.094 9.721 1.00 0.00 C ATOM 142 CZ PHE A 8 -8.722 -7.116 8.942 1.00 0.00 C ATOM 0 H PHE A 8 -4.772 -6.544 5.616 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.905 -3.879 6.096 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.327 -5.681 7.949 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -5.062 -4.153 8.392 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -6.468 -7.042 6.440 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -6.685 -4.626 9.939 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -8.480 -8.259 7.153 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -8.711 -5.822 10.642 1.00 0.00 H new ATOM 0 HZ PHE A 8 -9.609 -7.647 9.254 1.00 0.00 H new ATOM 152 N ALA A 9 -3.662 -2.906 5.205 1.00 0.00 N ATOM 153 CA ALA A 9 -2.380 -2.319 4.905 1.00 0.00 C ATOM 154 C ALA A 9 -2.177 -1.024 5.653 1.00 0.00 C ATOM 155 O ALA A 9 -2.864 -0.032 5.408 1.00 0.00 O ATOM 156 CB ALA A 9 -2.219 -2.108 3.419 1.00 0.00 C ATOM 0 H ALA A 9 -4.454 -2.527 4.687 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.613 -3.018 5.237 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.244 -1.664 3.218 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.294 -3.066 2.905 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.002 -1.441 3.059 1.00 0.00 H new ATOM 162 N ILE A 10 -1.246 -1.061 6.581 1.00 0.00 N ATOM 163 CA ILE A 10 -0.818 0.142 7.260 1.00 0.00 C ATOM 164 C ILE A 10 0.490 0.604 6.642 1.00 0.00 C ATOM 165 O ILE A 10 1.572 0.176 7.041 1.00 0.00 O ATOM 166 CB ILE A 10 -0.634 -0.080 8.777 1.00 0.00 C ATOM 167 CG1 ILE A 10 -1.915 -0.663 9.386 1.00 0.00 C ATOM 168 CG2 ILE A 10 -0.262 1.232 9.452 1.00 0.00 C ATOM 169 CD1 ILE A 10 -1.791 -1.017 10.855 1.00 0.00 C ATOM 0 H ILE A 10 -0.771 -1.912 6.883 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.591 0.901 7.140 1.00 0.00 H new ATOM 0 HB ILE A 10 0.175 -0.793 8.938 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.724 0.057 9.263 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.196 -1.557 8.829 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.134 1.067 10.522 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.670 1.608 9.029 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.055 1.962 9.290 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.737 -1.423 11.213 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.005 -1.761 10.985 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.541 -0.122 11.425 1.00 0.00 H new ATOM 181 N LEU A 11 0.379 1.444 5.636 1.00 0.00 N ATOM 182 CA LEU A 11 1.548 1.864 4.917 1.00 0.00 C ATOM 183 C LEU A 11 1.928 3.261 5.348 1.00 0.00 C ATOM 184 O LEU A 11 1.082 4.142 5.460 1.00 0.00 O ATOM 185 CB LEU A 11 1.322 1.805 3.400 1.00 0.00 C ATOM 186 CG LEU A 11 0.099 2.563 2.871 1.00 0.00 C ATOM 187 CD1 LEU A 11 0.339 3.012 1.440 1.00 0.00 C ATOM 188 CD2 LEU A 11 -1.144 1.684 2.933 1.00 0.00 C ATOM 0 H LEU A 11 -0.500 1.842 5.305 1.00 0.00 H new ATOM 0 HA LEU A 11 2.365 1.181 5.149 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.210 2.198 2.905 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.231 0.759 3.107 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.059 3.439 3.500 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.537 3.549 1.075 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.208 3.669 1.406 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.518 2.140 0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.002 2.239 2.553 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.990 0.793 2.324 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.331 1.390 3.966 1.00 0.00 H new ATOM 200 N ARG A 12 3.197 3.427 5.635 1.00 0.00 N ATOM 201 CA ARG A 12 3.754 4.716 6.043 1.00 0.00 C ATOM 202 C ARG A 12 5.136 4.887 5.420 1.00 0.00 C ATOM 203 O ARG A 12 5.787 3.895 5.078 1.00 0.00 O ATOM 204 CB ARG A 12 3.815 4.809 7.570 1.00 0.00 C ATOM 205 CG ARG A 12 2.432 4.830 8.203 1.00 0.00 C ATOM 206 CD ARG A 12 2.467 5.287 9.645 1.00 0.00 C ATOM 207 NE ARG A 12 2.972 4.254 10.551 1.00 0.00 N ATOM 208 CZ ARG A 12 2.205 3.606 11.433 1.00 0.00 C ATOM 209 NH1 ARG A 12 0.895 3.820 11.462 1.00 0.00 N ATOM 210 NH2 ARG A 12 2.745 2.722 12.265 1.00 0.00 N ATOM 0 H ARG A 12 3.884 2.674 5.595 1.00 0.00 H new ATOM 0 HA ARG A 12 3.111 5.523 5.690 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.378 3.962 7.961 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.357 5.711 7.855 1.00 0.00 H new ATOM 0 HG2 ARG A 12 1.783 5.492 7.630 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.996 3.832 8.151 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.095 6.174 9.726 1.00 0.00 H new ATOM 0 HD3 ARG A 12 1.463 5.577 9.955 1.00 0.00 H new ATOM 0 HE ARG A 12 3.963 4.016 10.507 1.00 0.00 H new ATOM 0 HH11 ARG A 12 0.472 4.480 10.810 1.00 0.00 H new ATOM 0 HH12 ARG A 12 0.312 3.324 12.136 1.00 0.00 H new ATOM 0 HH21 ARG A 12 3.747 2.536 12.232 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.157 2.229 12.937 1.00 0.00 H new ATOM 224 N LEU A 13 5.582 6.127 5.239 1.00 0.00 N ATOM 225 CA LEU A 13 6.891 6.295 4.656 1.00 0.00 C ATOM 226 C LEU A 13 7.927 6.333 5.767 1.00 0.00 C ATOM 227 O LEU A 13 7.735 6.975 6.797 1.00 0.00 O ATOM 228 CB LEU A 13 7.020 7.509 3.698 1.00 0.00 C ATOM 229 CG LEU A 13 6.060 8.699 3.837 1.00 0.00 C ATOM 230 CD1 LEU A 13 6.574 9.827 2.963 1.00 0.00 C ATOM 231 CD2 LEU A 13 4.639 8.355 3.398 1.00 0.00 C ATOM 0 H LEU A 13 5.081 6.983 5.476 1.00 0.00 H new ATOM 0 HA LEU A 13 7.068 5.434 4.011 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.034 7.896 3.799 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.923 7.131 2.680 1.00 0.00 H new ATOM 0 HG LEU A 13 6.023 8.982 4.889 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.906 10.685 3.046 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.574 10.113 3.289 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.611 9.495 1.925 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.000 9.230 3.516 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.645 8.049 2.352 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.256 7.540 4.012 1.00 0.00 H new ATOM 243 N ALA A 14 9.004 5.604 5.537 1.00 0.00 N ATOM 244 CA ALA A 14 10.029 5.321 6.557 1.00 0.00 C ATOM 245 C ALA A 14 10.676 6.576 7.147 1.00 0.00 C ATOM 246 O ALA A 14 11.390 6.497 8.145 1.00 0.00 O ATOM 247 CB ALA A 14 11.099 4.414 5.967 1.00 0.00 C ATOM 0 H ALA A 14 9.205 5.182 4.631 1.00 0.00 H new ATOM 0 HA ALA A 14 9.517 4.826 7.383 1.00 0.00 H new ATOM 0 HB1 ALA A 14 11.856 4.206 6.723 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.644 3.478 5.642 1.00 0.00 H new ATOM 0 HB3 ALA A 14 11.564 4.907 5.114 1.00 0.00 H new ATOM 253 N ASP A 15 10.430 7.719 6.527 1.00 0.00 N ATOM 254 CA ASP A 15 10.917 8.995 7.044 1.00 0.00 C ATOM 255 C ASP A 15 10.219 9.344 8.363 1.00 0.00 C ATOM 256 O ASP A 15 10.720 10.133 9.166 1.00 0.00 O ATOM 257 CB ASP A 15 10.679 10.082 5.986 1.00 0.00 C ATOM 258 CG ASP A 15 10.663 11.489 6.553 1.00 0.00 C ATOM 259 OD1 ASP A 15 11.747 12.084 6.714 1.00 0.00 O ATOM 260 OD2 ASP A 15 9.554 12.002 6.821 1.00 0.00 O ATOM 0 H ASP A 15 9.894 7.793 5.662 1.00 0.00 H new ATOM 0 HA ASP A 15 11.985 8.925 7.250 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.458 10.014 5.226 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.729 9.890 5.487 1.00 0.00 H new ATOM 265 N GLY A 16 9.082 8.702 8.597 1.00 0.00 N ATOM 266 CA GLY A 16 8.261 9.030 9.744 1.00 0.00 C ATOM 267 C GLY A 16 6.946 9.600 9.279 1.00 0.00 C ATOM 268 O GLY A 16 6.009 9.789 10.055 1.00 0.00 O ATOM 0 H GLY A 16 8.713 7.955 8.008 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.089 8.139 10.348 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.777 9.750 10.379 1.00 0.00 H new ATOM 272 N SER A 17 6.899 9.850 7.983 1.00 0.00 N ATOM 273 CA SER A 17 5.739 10.411 7.328 1.00 0.00 C ATOM 274 C SER A 17 4.698 9.339 6.998 1.00 0.00 C ATOM 275 O SER A 17 4.880 8.154 7.295 1.00 0.00 O ATOM 276 CB SER A 17 6.213 11.101 6.058 1.00 0.00 C ATOM 277 OG SER A 17 7.532 10.686 5.741 1.00 0.00 O ATOM 0 H SER A 17 7.678 9.665 7.350 1.00 0.00 H new ATOM 0 HA SER A 17 5.253 11.122 7.997 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.541 10.864 5.233 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.186 12.183 6.191 1.00 0.00 H new ATOM 0 HG SER A 17 8.164 11.399 5.972 1.00 0.00 H new ATOM 283 N GLN A 18 3.620 9.763 6.356 1.00 0.00 N ATOM 284 CA GLN A 18 2.508 8.877 6.051 1.00 0.00 C ATOM 285 C GLN A 18 2.036 9.074 4.638 1.00 0.00 C ATOM 286 O GLN A 18 2.041 10.197 4.140 1.00 0.00 O ATOM 287 CB GLN A 18 1.325 9.209 6.933 1.00 0.00 C ATOM 288 CG GLN A 18 0.875 8.090 7.846 1.00 0.00 C ATOM 289 CD GLN A 18 0.007 8.599 8.981 1.00 0.00 C ATOM 290 OE1 GLN A 18 0.028 7.902 10.104 1.00 0.00 O flip ATOM 291 NE2 GLN A 18 -0.683 9.608 8.849 1.00 0.00 N flip ATOM 0 H GLN A 18 3.492 10.722 6.034 1.00 0.00 H new ATOM 0 HA GLN A 18 2.860 7.857 6.208 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.578 10.076 7.543 1.00 0.00 H new ATOM 0 HB3 GLN A 18 0.488 9.499 6.298 1.00 0.00 H new ATOM 0 HG2 GLN A 18 0.320 7.351 7.268 1.00 0.00 H new ATOM 0 HG3 GLN A 18 1.748 7.583 8.256 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -0.674 10.120 7.967 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -1.265 9.933 9.621 1.00 0.00 H new ATOM 300 N PRO A 19 1.646 7.997 3.957 1.00 0.00 N ATOM 301 CA PRO A 19 0.759 8.124 2.852 1.00 0.00 C ATOM 302 C PRO A 19 -0.603 8.247 3.465 1.00 0.00 C ATOM 303 O PRO A 19 -1.180 7.271 3.942 1.00 0.00 O ATOM 304 CB PRO A 19 0.915 6.822 2.062 1.00 0.00 C ATOM 305 CG PRO A 19 1.799 5.939 2.886 1.00 0.00 C ATOM 306 CD PRO A 19 2.005 6.611 4.217 1.00 0.00 C ATOM 0 HA PRO A 19 0.940 8.971 2.190 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.053 6.352 1.890 1.00 0.00 H new ATOM 0 HB3 PRO A 19 1.356 7.011 1.083 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.342 4.958 3.019 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.754 5.780 2.386 1.00 0.00 H new ATOM 0 HD2 PRO A 19 1.375 6.171 4.990 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.037 6.521 4.557 1.00 0.00 H new ATOM 314 N PRO A 20 -1.113 9.456 3.500 1.00 0.00 N ATOM 315 CA PRO A 20 -2.195 9.812 4.351 1.00 0.00 C ATOM 316 C PRO A 20 -3.503 9.865 3.578 1.00 0.00 C ATOM 317 O PRO A 20 -3.496 9.657 2.363 1.00 0.00 O ATOM 318 CB PRO A 20 -1.671 11.166 4.820 1.00 0.00 C ATOM 319 CG PRO A 20 -1.115 11.779 3.586 1.00 0.00 C ATOM 320 CD PRO A 20 -0.673 10.620 2.728 1.00 0.00 C ATOM 0 HA PRO A 20 -2.443 9.129 5.164 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -2.467 11.777 5.246 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -0.908 11.054 5.590 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.865 12.383 3.075 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.278 12.438 3.817 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -1.135 10.649 1.741 1.00 0.00 H new ATOM 0 HD3 PRO A 20 0.406 10.619 2.575 1.00 0.00 H new ATOM 328 N PHE A 21 -4.604 10.104 4.292 1.00 0.00 N ATOM 329 CA PHE A 21 -5.965 9.974 3.751 1.00 0.00 C ATOM 330 C PHE A 21 -6.052 10.272 2.248 1.00 0.00 C ATOM 331 O PHE A 21 -6.065 11.426 1.819 1.00 0.00 O ATOM 332 CB PHE A 21 -6.907 10.864 4.546 1.00 0.00 C ATOM 333 CG PHE A 21 -8.311 10.929 4.009 1.00 0.00 C ATOM 334 CD1 PHE A 21 -9.176 9.866 4.185 1.00 0.00 C ATOM 335 CD2 PHE A 21 -8.765 12.051 3.330 1.00 0.00 C ATOM 336 CE1 PHE A 21 -10.467 9.911 3.694 1.00 0.00 C ATOM 337 CE2 PHE A 21 -10.054 12.103 2.836 1.00 0.00 C ATOM 338 CZ PHE A 21 -10.906 11.032 3.018 1.00 0.00 C ATOM 0 H PHE A 21 -4.580 10.395 5.269 1.00 0.00 H new ATOM 0 HA PHE A 21 -6.265 8.931 3.857 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -6.942 10.506 5.575 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.496 11.873 4.573 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -8.838 8.987 4.714 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -8.103 12.892 3.186 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -11.131 9.071 3.839 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -10.395 12.981 2.308 1.00 0.00 H new ATOM 0 HZ PHE A 21 -11.914 11.071 2.632 1.00 0.00 H new ATOM 348 N GLY A 22 -6.080 9.196 1.463 1.00 0.00 N ATOM 349 CA GLY A 22 -6.117 9.303 0.035 1.00 0.00 C ATOM 350 C GLY A 22 -4.903 8.660 -0.577 1.00 0.00 C ATOM 351 O GLY A 22 -4.639 8.842 -1.765 1.00 0.00 O ATOM 0 H GLY A 22 -6.077 8.238 1.812 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.019 8.826 -0.347 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.164 10.353 -0.255 1.00 0.00 H new ATOM 355 N ALA A 23 -4.147 7.926 0.252 1.00 0.00 N ATOM 356 CA ALA A 23 -3.011 7.182 -0.265 1.00 0.00 C ATOM 357 C ALA A 23 -3.465 6.202 -1.318 1.00 0.00 C ATOM 358 O ALA A 23 -3.969 5.124 -1.004 1.00 0.00 O ATOM 359 CB ALA A 23 -2.243 6.467 0.818 1.00 0.00 C ATOM 0 H ALA A 23 -4.302 7.838 1.256 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.331 7.908 -0.711 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.406 5.928 0.375 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.866 7.194 1.538 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.901 5.762 1.326 1.00 0.00 H new ATOM 365 N SER A 24 -3.347 6.654 -2.547 1.00 0.00 N ATOM 366 CA SER A 24 -3.718 5.890 -3.730 1.00 0.00 C ATOM 367 C SER A 24 -2.672 4.847 -4.089 1.00 0.00 C ATOM 368 O SER A 24 -1.684 5.167 -4.731 1.00 0.00 O ATOM 369 CB SER A 24 -3.877 6.859 -4.899 1.00 0.00 C ATOM 370 OG SER A 24 -5.230 7.234 -5.078 1.00 0.00 O ATOM 0 H SER A 24 -2.983 7.582 -2.762 1.00 0.00 H new ATOM 0 HA SER A 24 -4.649 5.364 -3.520 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.272 7.748 -4.722 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.502 6.395 -5.812 1.00 0.00 H new ATOM 0 HG SER A 24 -5.300 7.856 -5.832 1.00 0.00 H new ATOM 376 N VAL A 25 -2.887 3.605 -3.698 1.00 0.00 N ATOM 377 CA VAL A 25 -1.904 2.569 -3.958 1.00 0.00 C ATOM 378 C VAL A 25 -2.327 1.658 -5.122 1.00 0.00 C ATOM 379 O VAL A 25 -3.359 0.941 -5.050 1.00 0.00 O ATOM 380 CB VAL A 25 -1.615 1.733 -2.687 1.00 0.00 C ATOM 381 CG1 VAL A 25 -1.252 2.638 -1.523 1.00 0.00 C ATOM 382 CG2 VAL A 25 -2.792 0.865 -2.297 1.00 0.00 C ATOM 0 H VAL A 25 -3.723 3.291 -3.205 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.983 3.073 -4.250 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.774 1.081 -2.923 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.053 2.032 -0.639 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.363 3.216 -1.775 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.080 3.317 -1.318 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.544 0.297 -1.401 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.659 1.495 -2.099 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.022 0.177 -3.111 1.00 0.00 H new ATOM 392 N THR A 26 -1.535 1.709 -6.209 1.00 0.00 N ATOM 393 CA THR A 26 -1.749 0.837 -7.369 1.00 0.00 C ATOM 394 C THR A 26 -0.412 0.508 -8.000 1.00 0.00 C ATOM 395 O THR A 26 0.329 1.411 -8.333 1.00 0.00 O ATOM 396 CB THR A 26 -2.680 1.474 -8.439 1.00 0.00 C ATOM 397 OG1 THR A 26 -2.445 0.887 -9.720 1.00 0.00 O ATOM 398 CG2 THR A 26 -2.496 2.987 -8.520 1.00 0.00 C ATOM 0 H THR A 26 -0.743 2.345 -6.304 1.00 0.00 H new ATOM 0 HA THR A 26 -2.242 -0.066 -7.009 1.00 0.00 H new ATOM 0 HB THR A 26 -3.708 1.276 -8.135 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.130 1.575 -10.343 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.164 3.395 -9.279 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.729 3.434 -7.554 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.464 3.214 -8.786 1.00 0.00 H new ATOM 406 N SER A 27 -0.116 -0.777 -8.172 1.00 0.00 N ATOM 407 CA SER A 27 1.207 -1.205 -8.645 1.00 0.00 C ATOM 408 C SER A 27 1.597 -0.485 -9.950 1.00 0.00 C ATOM 409 O SER A 27 0.755 0.147 -10.573 1.00 0.00 O ATOM 410 CB SER A 27 1.196 -2.711 -8.859 1.00 0.00 C ATOM 411 OG SER A 27 0.802 -3.394 -7.687 1.00 0.00 O ATOM 0 H SER A 27 -0.768 -1.541 -7.993 1.00 0.00 H new ATOM 0 HA SER A 27 1.949 -0.943 -7.891 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.515 -2.960 -9.673 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.189 -3.045 -9.160 1.00 0.00 H new ATOM 0 HG SER A 27 1.462 -4.087 -7.475 1.00 0.00 H new ATOM 417 N GLU A 28 2.855 -0.591 -10.373 1.00 0.00 N ATOM 418 CA GLU A 28 3.309 0.133 -11.572 1.00 0.00 C ATOM 419 C GLU A 28 2.514 -0.268 -12.823 1.00 0.00 C ATOM 420 O GLU A 28 2.504 0.455 -13.817 1.00 0.00 O ATOM 421 CB GLU A 28 4.806 -0.089 -11.809 1.00 0.00 C ATOM 422 CG GLU A 28 5.150 -1.298 -12.670 1.00 0.00 C ATOM 423 CD GLU A 28 4.833 -2.649 -12.033 1.00 0.00 C ATOM 424 OE1 GLU A 28 4.005 -2.711 -11.101 1.00 0.00 O ATOM 425 OE2 GLU A 28 5.386 -3.668 -12.485 1.00 0.00 O ATOM 0 H GLU A 28 3.571 -1.158 -9.918 1.00 0.00 H new ATOM 0 HA GLU A 28 3.131 1.193 -11.389 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.220 0.803 -12.280 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.299 -0.198 -10.843 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.609 -1.221 -13.613 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.213 -1.265 -12.909 1.00 0.00 H new ATOM 432 N LYS A 29 1.871 -1.433 -12.780 1.00 0.00 N ATOM 433 CA LYS A 29 1.029 -1.848 -13.901 1.00 0.00 C ATOM 434 C LYS A 29 -0.460 -1.657 -13.592 1.00 0.00 C ATOM 435 O LYS A 29 -1.315 -2.050 -14.382 1.00 0.00 O ATOM 436 CB LYS A 29 1.320 -3.305 -14.311 1.00 0.00 C ATOM 437 CG LYS A 29 2.103 -4.111 -13.283 1.00 0.00 C ATOM 438 CD LYS A 29 1.199 -4.813 -12.287 1.00 0.00 C ATOM 439 CE LYS A 29 1.932 -5.135 -10.990 1.00 0.00 C ATOM 440 NZ LYS A 29 3.365 -5.494 -11.201 1.00 0.00 N ATOM 0 H LYS A 29 1.913 -2.092 -12.003 1.00 0.00 H new ATOM 0 HA LYS A 29 1.277 -1.203 -14.744 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.373 -3.810 -14.504 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.876 -3.300 -15.249 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.717 -4.851 -13.797 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.783 -3.449 -12.748 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.337 -4.182 -12.071 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.818 -5.734 -12.728 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.874 -4.275 -10.323 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.427 -5.961 -10.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.679 -6.130 -10.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.472 -5.972 -12.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.944 -4.630 -11.191 1.00 0.00 H new ATOM 454 N GLY A 30 -0.761 -1.074 -12.433 1.00 0.00 N ATOM 455 CA GLY A 30 -2.111 -0.764 -12.130 1.00 0.00 C ATOM 456 C GLY A 30 -2.740 -1.954 -11.521 1.00 0.00 C ATOM 457 O GLY A 30 -3.829 -2.358 -11.892 1.00 0.00 O ATOM 0 H GLY A 30 -0.083 -0.820 -11.714 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.161 0.083 -11.445 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.645 -0.474 -13.035 1.00 0.00 H new ATOM 461 N ARG A 31 -1.996 -2.575 -10.630 1.00 0.00 N ATOM 462 CA ARG A 31 -2.634 -3.529 -9.792 1.00 0.00 C ATOM 463 C ARG A 31 -3.014 -2.820 -8.525 1.00 0.00 C ATOM 464 O ARG A 31 -2.198 -2.594 -7.637 1.00 0.00 O ATOM 465 CB ARG A 31 -1.791 -4.775 -9.558 1.00 0.00 C ATOM 466 CG ARG A 31 -1.759 -5.703 -10.772 1.00 0.00 C ATOM 467 CD ARG A 31 -3.122 -6.345 -11.078 1.00 0.00 C ATOM 468 NE ARG A 31 -4.183 -5.361 -11.341 1.00 0.00 N ATOM 469 CZ ARG A 31 -5.005 -5.385 -12.392 1.00 0.00 C ATOM 470 NH1 ARG A 31 -4.894 -6.338 -13.315 1.00 0.00 N ATOM 471 NH2 ARG A 31 -5.939 -4.449 -12.515 1.00 0.00 N ATOM 0 H ARG A 31 -0.996 -2.437 -10.481 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.528 -3.917 -10.279 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.773 -4.478 -9.306 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.185 -5.320 -8.700 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.426 -5.140 -11.644 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.024 -6.490 -10.601 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.021 -7.000 -11.943 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.418 -6.972 -10.237 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.299 -4.603 -10.669 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.177 -7.057 -13.222 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.526 -6.349 -14.115 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.025 -3.718 -11.809 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.571 -4.461 -13.316 1.00 0.00 H new ATOM 485 N GLU A 32 -4.255 -2.416 -8.500 1.00 0.00 N ATOM 486 CA GLU A 32 -4.693 -1.379 -7.619 1.00 0.00 C ATOM 487 C GLU A 32 -5.293 -1.954 -6.354 1.00 0.00 C ATOM 488 O GLU A 32 -6.354 -2.575 -6.359 1.00 0.00 O ATOM 489 CB GLU A 32 -5.666 -0.482 -8.379 1.00 0.00 C ATOM 490 CG GLU A 32 -5.487 -0.590 -9.891 1.00 0.00 C ATOM 491 CD GLU A 32 -6.372 -1.661 -10.516 1.00 0.00 C ATOM 492 OE1 GLU A 32 -6.051 -2.868 -10.366 1.00 0.00 O ATOM 493 OE2 GLU A 32 -7.367 -1.306 -11.168 1.00 0.00 O ATOM 0 H GLU A 32 -4.990 -2.801 -9.094 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.845 -0.776 -7.294 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.689 -0.752 -8.115 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.520 0.553 -8.070 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.712 0.373 -10.349 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.443 -0.812 -10.114 1.00 0.00 H new ATOM 500 N LEU A 33 -4.572 -1.742 -5.274 1.00 0.00 N ATOM 501 CA LEU A 33 -4.920 -2.313 -3.992 1.00 0.00 C ATOM 502 C LEU A 33 -5.939 -1.433 -3.278 1.00 0.00 C ATOM 503 O LEU A 33 -6.972 -1.924 -2.818 1.00 0.00 O ATOM 504 CB LEU A 33 -3.657 -2.458 -3.158 1.00 0.00 C ATOM 505 CG LEU A 33 -2.849 -3.742 -3.387 1.00 0.00 C ATOM 506 CD1 LEU A 33 -2.684 -4.060 -4.867 1.00 0.00 C ATOM 507 CD2 LEU A 33 -1.493 -3.604 -2.739 1.00 0.00 C ATOM 0 H LEU A 33 -3.728 -1.169 -5.261 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.371 -3.295 -4.138 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.011 -1.604 -3.360 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.932 -2.407 -2.105 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.400 -4.567 -2.936 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.106 -4.977 -4.980 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.665 -4.192 -5.322 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.163 -3.239 -5.360 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.918 -4.516 -2.901 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.964 -2.758 -3.179 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.616 -3.438 -1.669 1.00 0.00 H new ATOM 519 N GLY A 34 -5.675 -0.126 -3.185 1.00 0.00 N ATOM 520 CA GLY A 34 -6.654 0.700 -2.489 1.00 0.00 C ATOM 521 C GLY A 34 -6.194 2.108 -2.179 1.00 0.00 C ATOM 522 O GLY A 34 -5.323 2.647 -2.850 1.00 0.00 O ATOM 0 H GLY A 34 -4.853 0.352 -3.554 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.559 0.754 -3.095 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.925 0.208 -1.555 1.00 0.00 H new ATOM 526 N MET A 35 -6.812 2.702 -1.154 1.00 0.00 N ATOM 527 CA MET A 35 -6.587 4.112 -0.803 1.00 0.00 C ATOM 528 C MET A 35 -6.773 4.288 0.682 1.00 0.00 C ATOM 529 O MET A 35 -7.789 3.855 1.230 1.00 0.00 O ATOM 530 CB MET A 35 -7.575 5.013 -1.533 1.00 0.00 C ATOM 531 CG MET A 35 -7.629 4.700 -2.999 1.00 0.00 C ATOM 532 SD MET A 35 -9.229 5.058 -3.751 1.00 0.00 S ATOM 533 CE MET A 35 -9.383 6.814 -3.424 1.00 0.00 C ATOM 0 H MET A 35 -7.478 2.225 -0.546 1.00 0.00 H new ATOM 0 HA MET A 35 -5.574 4.387 -1.096 1.00 0.00 H new ATOM 0 HB2 MET A 35 -8.567 4.893 -1.098 1.00 0.00 H new ATOM 0 HB3 MET A 35 -7.289 6.056 -1.393 1.00 0.00 H new ATOM 0 HG2 MET A 35 -6.858 5.273 -3.514 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.395 3.646 -3.147 1.00 0.00 H new ATOM 0 HE1 MET A 35 -10.262 7.204 -3.937 1.00 0.00 H new ATOM 0 HE2 MET A 35 -9.487 6.977 -2.351 1.00 0.00 H new ATOM 0 HE3 MET A 35 -8.494 7.331 -3.785 1.00 0.00 H new ATOM 543 N VAL A 36 -5.803 4.892 1.346 1.00 0.00 N ATOM 544 CA VAL A 36 -5.871 4.957 2.804 1.00 0.00 C ATOM 545 C VAL A 36 -6.959 5.921 3.260 1.00 0.00 C ATOM 546 O VAL A 36 -7.047 7.039 2.773 1.00 0.00 O ATOM 547 CB VAL A 36 -4.517 5.318 3.465 1.00 0.00 C ATOM 548 CG1 VAL A 36 -3.407 4.430 2.937 1.00 0.00 C ATOM 549 CG2 VAL A 36 -4.174 6.789 3.328 1.00 0.00 C ATOM 0 H VAL A 36 -4.985 5.331 0.923 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.124 3.950 3.137 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.621 5.131 4.534 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.466 4.701 3.415 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.639 3.388 3.157 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.318 4.562 1.859 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.216 6.985 3.809 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.111 7.051 2.272 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -4.949 7.389 3.805 1.00 0.00 H new ATOM 559 N ALA A 37 -7.817 5.477 4.167 1.00 0.00 N ATOM 560 CA ALA A 37 -8.854 6.363 4.670 1.00 0.00 C ATOM 561 C ALA A 37 -8.750 6.514 6.178 1.00 0.00 C ATOM 562 O ALA A 37 -9.714 6.277 6.904 1.00 0.00 O ATOM 563 CB ALA A 37 -10.232 5.868 4.264 1.00 0.00 C ATOM 0 H ALA A 37 -7.818 4.536 4.560 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.707 7.346 4.224 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.991 6.547 4.652 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.300 5.831 3.177 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -10.395 4.870 4.672 1.00 0.00 H new ATOM 569 N ASP A 38 -7.557 6.937 6.594 1.00 0.00 N ATOM 570 CA ASP A 38 -7.195 7.245 7.985 1.00 0.00 C ATOM 571 C ASP A 38 -5.717 6.965 8.145 1.00 0.00 C ATOM 572 O ASP A 38 -5.236 5.955 7.628 1.00 0.00 O ATOM 573 CB ASP A 38 -7.966 6.435 9.034 1.00 0.00 C ATOM 574 CG ASP A 38 -7.548 6.803 10.446 1.00 0.00 C ATOM 575 OD1 ASP A 38 -7.341 8.011 10.708 1.00 0.00 O ATOM 576 OD2 ASP A 38 -7.405 5.889 11.283 1.00 0.00 O ATOM 0 H ASP A 38 -6.781 7.082 5.948 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.453 8.289 8.162 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -9.035 6.609 8.914 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.796 5.371 8.870 1.00 0.00 H new ATOM 581 N GLU A 39 -5.031 7.846 8.875 1.00 0.00 N ATOM 582 CA GLU A 39 -3.563 7.885 8.913 1.00 0.00 C ATOM 583 C GLU A 39 -2.942 7.356 7.603 1.00 0.00 C ATOM 584 O GLU A 39 -2.908 8.072 6.603 1.00 0.00 O ATOM 585 CB GLU A 39 -2.986 7.199 10.177 1.00 0.00 C ATOM 586 CG GLU A 39 -3.202 5.693 10.301 1.00 0.00 C ATOM 587 CD GLU A 39 -1.923 4.983 10.721 1.00 0.00 C ATOM 588 OE1 GLU A 39 -0.916 5.073 9.974 1.00 0.00 O ATOM 589 OE2 GLU A 39 -1.902 4.346 11.793 1.00 0.00 O ATOM 0 H GLU A 39 -5.476 8.555 9.458 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.273 8.933 8.989 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.914 7.392 10.209 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.423 7.678 11.053 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.987 5.495 11.031 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.546 5.293 9.347 1.00 0.00 H new ATOM 596 N GLY A 40 -2.487 6.109 7.603 1.00 0.00 N ATOM 597 CA GLY A 40 -2.022 5.479 6.391 1.00 0.00 C ATOM 598 C GLY A 40 -2.543 4.060 6.276 1.00 0.00 C ATOM 599 O GLY A 40 -1.779 3.134 6.015 1.00 0.00 O ATOM 0 H GLY A 40 -2.433 5.520 8.434 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.348 6.060 5.528 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.932 5.471 6.377 1.00 0.00 H new ATOM 603 N LEU A 41 -3.845 3.878 6.478 1.00 0.00 N ATOM 604 CA LEU A 41 -4.425 2.543 6.430 1.00 0.00 C ATOM 605 C LEU A 41 -5.430 2.422 5.284 1.00 0.00 C ATOM 606 O LEU A 41 -6.448 3.120 5.255 1.00 0.00 O ATOM 607 CB LEU A 41 -5.114 2.212 7.762 1.00 0.00 C ATOM 608 CG LEU A 41 -5.148 0.725 8.145 1.00 0.00 C ATOM 609 CD1 LEU A 41 -5.635 0.555 9.576 1.00 0.00 C ATOM 610 CD2 LEU A 41 -6.039 -0.067 7.198 1.00 0.00 C ATOM 0 H LEU A 41 -4.509 4.627 6.674 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.617 1.832 6.258 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.609 2.761 8.557 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.139 2.581 7.721 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.132 0.338 8.065 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.653 -0.505 9.831 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.962 1.080 10.254 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.639 0.968 9.670 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.043 -1.116 7.494 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.055 0.326 7.240 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.658 0.021 6.181 1.00 0.00 H new ATOM 622 N ALA A 42 -5.134 1.539 4.339 1.00 0.00 N ATOM 623 CA ALA A 42 -6.097 1.204 3.295 1.00 0.00 C ATOM 624 C ALA A 42 -6.298 -0.297 3.277 1.00 0.00 C ATOM 625 O ALA A 42 -5.422 -1.048 3.721 1.00 0.00 O ATOM 626 CB ALA A 42 -5.637 1.698 1.920 1.00 0.00 C ATOM 0 H ALA A 42 -4.244 1.045 4.273 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.040 1.704 3.516 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.380 1.429 1.169 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.520 2.781 1.943 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.683 1.235 1.668 1.00 0.00 H new ATOM 632 N TRP A 43 -7.447 -0.742 2.800 1.00 0.00 N ATOM 633 CA TRP A 43 -7.645 -2.169 2.649 1.00 0.00 C ATOM 634 C TRP A 43 -7.053 -2.580 1.331 1.00 0.00 C ATOM 635 O TRP A 43 -7.740 -2.574 0.306 1.00 0.00 O ATOM 636 CB TRP A 43 -9.102 -2.541 2.705 1.00 0.00 C ATOM 637 CG TRP A 43 -9.557 -2.089 4.010 1.00 0.00 C ATOM 638 CD1 TRP A 43 -9.872 -0.824 4.395 1.00 0.00 C ATOM 639 CD2 TRP A 43 -9.569 -2.893 5.157 1.00 0.00 C ATOM 640 NE1 TRP A 43 -10.054 -0.795 5.740 1.00 0.00 N ATOM 641 CE2 TRP A 43 -9.891 -2.065 6.221 1.00 0.00 C ATOM 642 CE3 TRP A 43 -9.343 -4.249 5.386 1.00 0.00 C ATOM 643 CZ2 TRP A 43 -9.972 -2.529 7.490 1.00 0.00 C ATOM 644 CZ3 TRP A 43 -9.445 -4.717 6.671 1.00 0.00 C ATOM 645 CH2 TRP A 43 -9.751 -3.853 7.718 1.00 0.00 C ATOM 0 H TRP A 43 -8.233 -0.156 2.519 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.155 -2.689 3.473 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.663 -2.060 1.903 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -9.239 -3.616 2.590 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -9.963 0.025 3.734 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -10.274 0.031 6.296 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -9.094 -4.914 4.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -10.207 -1.862 8.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -9.286 -5.766 6.872 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -9.814 -4.238 8.725 1.00 0.00 H new ATOM 656 N LEU A 44 -5.783 -2.901 1.338 1.00 0.00 N ATOM 657 CA LEU A 44 -5.096 -3.092 0.080 1.00 0.00 C ATOM 658 C LEU A 44 -5.522 -4.394 -0.543 1.00 0.00 C ATOM 659 O LEU A 44 -5.086 -5.447 -0.121 1.00 0.00 O ATOM 660 CB LEU A 44 -3.577 -3.031 0.266 1.00 0.00 C ATOM 661 CG LEU A 44 -2.945 -1.678 -0.080 1.00 0.00 C ATOM 662 CD1 LEU A 44 -3.562 -0.566 0.739 1.00 0.00 C ATOM 663 CD2 LEU A 44 -1.444 -1.708 0.126 1.00 0.00 C ATOM 0 H LEU A 44 -5.215 -3.033 2.175 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.369 -2.281 -0.595 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.341 -3.273 1.302 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.117 -3.801 -0.354 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.144 -1.483 -1.134 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.096 0.383 0.474 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.631 -0.514 0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.404 -0.764 1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.022 -0.735 -0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.224 -1.939 1.168 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.004 -2.472 -0.515 1.00 0.00 H new ATOM 675 N SER A 45 -6.397 -4.296 -1.534 1.00 0.00 N ATOM 676 CA SER A 45 -6.954 -5.472 -2.174 1.00 0.00 C ATOM 677 C SER A 45 -5.875 -6.376 -2.733 1.00 0.00 C ATOM 678 O SER A 45 -5.505 -6.279 -3.901 1.00 0.00 O ATOM 679 CB SER A 45 -7.909 -5.033 -3.282 1.00 0.00 C ATOM 680 OG SER A 45 -8.779 -4.015 -2.816 1.00 0.00 O ATOM 0 H SER A 45 -6.735 -3.410 -1.911 1.00 0.00 H new ATOM 0 HA SER A 45 -7.495 -6.048 -1.424 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.340 -4.669 -4.137 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.492 -5.887 -3.627 1.00 0.00 H new ATOM 0 HG SER A 45 -8.339 -3.144 -2.902 1.00 0.00 H new ATOM 686 N GLY A 46 -5.398 -7.279 -1.867 1.00 0.00 N ATOM 687 CA GLY A 46 -4.442 -8.279 -2.289 1.00 0.00 C ATOM 688 C GLY A 46 -3.184 -7.716 -2.907 1.00 0.00 C ATOM 689 O GLY A 46 -3.117 -7.515 -4.122 1.00 0.00 O ATOM 0 H GLY A 46 -5.662 -7.328 -0.883 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.168 -8.889 -1.428 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.921 -8.942 -3.010 1.00 0.00 H new ATOM 693 N VAL A 47 -2.182 -7.491 -2.073 1.00 0.00 N ATOM 694 CA VAL A 47 -0.914 -6.977 -2.555 1.00 0.00 C ATOM 695 C VAL A 47 -0.163 -8.049 -3.332 1.00 0.00 C ATOM 696 O VAL A 47 -0.259 -9.237 -3.012 1.00 0.00 O ATOM 697 CB VAL A 47 -0.003 -6.507 -1.399 1.00 0.00 C ATOM 698 CG1 VAL A 47 1.126 -5.652 -1.942 1.00 0.00 C ATOM 699 CG2 VAL A 47 -0.781 -5.757 -0.329 1.00 0.00 C ATOM 0 H VAL A 47 -2.222 -7.655 -1.067 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.149 -6.128 -3.197 1.00 0.00 H new ATOM 0 HB VAL A 47 0.417 -7.394 -0.925 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.763 -5.325 -1.120 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.716 -6.235 -2.649 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.711 -4.780 -2.448 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -0.101 -5.445 0.464 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.251 -4.878 -0.770 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.549 -6.409 0.087 1.00 0.00 H new ATOM 709 N THR A 48 0.564 -7.634 -4.355 1.00 0.00 N ATOM 710 CA THR A 48 1.496 -8.519 -5.009 1.00 0.00 C ATOM 711 C THR A 48 2.789 -8.536 -4.200 1.00 0.00 C ATOM 712 O THR A 48 3.423 -7.496 -4.012 1.00 0.00 O ATOM 713 CB THR A 48 1.807 -8.051 -6.436 1.00 0.00 C ATOM 714 OG1 THR A 48 0.683 -7.354 -6.992 1.00 0.00 O ATOM 715 CG2 THR A 48 2.172 -9.226 -7.333 1.00 0.00 C ATOM 0 H THR A 48 0.523 -6.692 -4.745 1.00 0.00 H new ATOM 0 HA THR A 48 1.053 -9.513 -5.068 1.00 0.00 H new ATOM 0 HB THR A 48 2.661 -7.375 -6.383 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.984 -6.508 -7.384 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.387 -8.863 -8.338 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.052 -9.730 -6.933 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.338 -9.927 -7.371 1.00 0.00 H new ATOM 723 N PRO A 49 3.174 -9.700 -3.682 1.00 0.00 N ATOM 724 CA PRO A 49 4.370 -9.832 -2.853 1.00 0.00 C ATOM 725 C PRO A 49 5.652 -9.690 -3.665 1.00 0.00 C ATOM 726 O PRO A 49 5.992 -10.563 -4.464 1.00 0.00 O ATOM 727 CB PRO A 49 4.239 -11.249 -2.297 1.00 0.00 C ATOM 728 CG PRO A 49 3.478 -11.979 -3.345 1.00 0.00 C ATOM 729 CD PRO A 49 2.485 -10.983 -3.870 1.00 0.00 C ATOM 0 HA PRO A 49 4.436 -9.059 -2.088 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.215 -11.702 -2.125 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.712 -11.256 -1.343 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.138 -12.333 -4.137 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.978 -12.855 -2.931 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.248 -11.164 -4.918 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.545 -11.021 -3.319 1.00 0.00 H new ATOM 737 N GLY A 50 6.361 -8.585 -3.473 1.00 0.00 N ATOM 738 CA GLY A 50 7.614 -8.422 -4.177 1.00 0.00 C ATOM 739 C GLY A 50 7.634 -7.226 -5.107 1.00 0.00 C ATOM 740 O GLY A 50 8.276 -7.283 -6.154 1.00 0.00 O ATOM 0 H GLY A 50 6.098 -7.816 -2.857 1.00 0.00 H new ATOM 0 HA2 GLY A 50 8.420 -8.320 -3.450 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.817 -9.324 -4.754 1.00 0.00 H new ATOM 744 N GLU A 51 6.967 -6.124 -4.740 1.00 0.00 N ATOM 745 CA GLU A 51 6.940 -4.995 -5.692 1.00 0.00 C ATOM 746 C GLU A 51 6.499 -3.684 -5.083 1.00 0.00 C ATOM 747 O GLU A 51 6.174 -3.603 -3.910 1.00 0.00 O ATOM 748 CB GLU A 51 6.048 -5.298 -6.891 1.00 0.00 C ATOM 749 CG GLU A 51 4.573 -5.478 -6.558 1.00 0.00 C ATOM 750 CD GLU A 51 3.706 -5.683 -7.792 1.00 0.00 C ATOM 751 OE1 GLU A 51 4.212 -6.189 -8.814 1.00 0.00 O ATOM 752 OE2 GLU A 51 2.502 -5.338 -7.744 1.00 0.00 O ATOM 0 H GLU A 51 6.471 -5.987 -3.859 1.00 0.00 H new ATOM 0 HA GLU A 51 7.977 -4.880 -6.007 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.147 -4.488 -7.614 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.410 -6.204 -7.376 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.458 -6.334 -5.893 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.219 -4.602 -6.014 1.00 0.00 H new ATOM 759 N THR A 52 6.470 -2.662 -5.925 1.00 0.00 N ATOM 760 CA THR A 52 6.183 -1.314 -5.475 1.00 0.00 C ATOM 761 C THR A 52 4.835 -0.817 -5.994 1.00 0.00 C ATOM 762 O THR A 52 4.582 -0.833 -7.199 1.00 0.00 O ATOM 763 CB THR A 52 7.289 -0.338 -5.923 1.00 0.00 C ATOM 764 OG1 THR A 52 7.565 -0.520 -7.316 1.00 0.00 O ATOM 765 CG2 THR A 52 8.564 -0.545 -5.118 1.00 0.00 C ATOM 0 H THR A 52 6.643 -2.744 -6.927 1.00 0.00 H new ATOM 0 HA THR A 52 6.145 -1.347 -4.386 1.00 0.00 H new ATOM 0 HB THR A 52 6.934 0.678 -5.749 1.00 0.00 H new ATOM 0 HG1 THR A 52 6.754 -0.828 -7.773 1.00 0.00 H new ATOM 0 HG21 THR A 52 9.326 0.157 -5.456 1.00 0.00 H new ATOM 0 HG22 THR A 52 8.358 -0.376 -4.061 1.00 0.00 H new ATOM 0 HG23 THR A 52 8.922 -1.565 -5.259 1.00 0.00 H new ATOM 773 N LEU A 53 3.973 -0.389 -5.076 1.00 0.00 N ATOM 774 CA LEU A 53 2.721 0.217 -5.449 1.00 0.00 C ATOM 775 C LEU A 53 2.942 1.670 -5.753 1.00 0.00 C ATOM 776 O LEU A 53 3.609 2.356 -4.995 1.00 0.00 O ATOM 777 CB LEU A 53 1.714 0.155 -4.307 1.00 0.00 C ATOM 778 CG LEU A 53 1.370 -1.215 -3.744 1.00 0.00 C ATOM 779 CD1 LEU A 53 0.743 -2.085 -4.814 1.00 0.00 C ATOM 780 CD2 LEU A 53 2.578 -1.882 -3.144 1.00 0.00 C ATOM 0 H LEU A 53 4.129 -0.456 -4.070 1.00 0.00 H new ATOM 0 HA LEU A 53 2.339 -0.326 -6.313 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.095 0.768 -3.490 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.789 0.619 -4.649 1.00 0.00 H new ATOM 0 HG LEU A 53 0.643 -1.077 -2.943 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.503 -3.062 -4.394 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.169 -1.613 -5.179 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.443 -2.207 -5.640 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.297 -2.859 -2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.343 -2.006 -3.910 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.970 -1.265 -2.336 1.00 0.00 H new ATOM 792 N SER A 54 2.376 2.138 -6.829 1.00 0.00 N ATOM 793 CA SER A 54 2.377 3.547 -7.113 1.00 0.00 C ATOM 794 C SER A 54 1.421 4.243 -6.164 1.00 0.00 C ATOM 795 O SER A 54 0.206 4.133 -6.315 1.00 0.00 O ATOM 796 CB SER A 54 2.006 3.789 -8.579 1.00 0.00 C ATOM 797 OG SER A 54 2.659 2.851 -9.420 1.00 0.00 O ATOM 0 H SER A 54 1.906 1.562 -7.528 1.00 0.00 H new ATOM 0 HA SER A 54 3.374 3.961 -6.960 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.926 3.709 -8.705 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.286 4.802 -8.868 1.00 0.00 H new ATOM 0 HG SER A 54 2.126 2.030 -9.470 1.00 0.00 H new ATOM 803 N VAL A 55 1.976 4.914 -5.150 1.00 0.00 N ATOM 804 CA VAL A 55 1.161 5.485 -4.100 1.00 0.00 C ATOM 805 C VAL A 55 1.010 7.003 -4.275 1.00 0.00 C ATOM 806 O VAL A 55 1.875 7.808 -3.870 1.00 0.00 O ATOM 807 CB VAL A 55 1.724 5.130 -2.705 1.00 0.00 C ATOM 808 CG1 VAL A 55 0.819 5.660 -1.601 1.00 0.00 C ATOM 809 CG2 VAL A 55 1.920 3.626 -2.580 1.00 0.00 C ATOM 0 H VAL A 55 2.979 5.069 -5.044 1.00 0.00 H new ATOM 0 HA VAL A 55 0.165 5.048 -4.175 1.00 0.00 H new ATOM 0 HB VAL A 55 2.696 5.611 -2.593 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.238 5.397 -0.630 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.743 6.744 -1.682 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.173 5.219 -1.700 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.317 3.392 -1.592 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.963 3.122 -2.715 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.621 3.286 -3.343 1.00 0.00 H new ATOM 819 N ASN A 56 -0.088 7.374 -4.934 1.00 0.00 N ATOM 820 CA ASN A 56 -0.421 8.770 -5.179 1.00 0.00 C ATOM 821 C ASN A 56 -0.900 9.428 -3.900 1.00 0.00 C ATOM 822 O ASN A 56 -1.752 8.892 -3.189 1.00 0.00 O ATOM 823 CB ASN A 56 -1.494 8.907 -6.269 1.00 0.00 C ATOM 824 CG ASN A 56 -1.002 8.527 -7.650 1.00 0.00 C ATOM 825 OD1 ASN A 56 -0.498 9.365 -8.395 1.00 0.00 O ATOM 826 ND2 ASN A 56 -1.152 7.262 -8.007 1.00 0.00 N ATOM 0 H ASN A 56 -0.768 6.714 -5.311 1.00 0.00 H new ATOM 0 HA ASN A 56 0.483 9.271 -5.526 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.347 8.279 -6.010 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.851 9.937 -6.289 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.845 6.952 -8.929 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.575 6.596 -7.360 1.00 0.00 H new ATOM 833 N TRP A 57 -0.342 10.590 -3.619 1.00 0.00 N ATOM 834 CA TRP A 57 -0.646 11.307 -2.399 1.00 0.00 C ATOM 835 C TRP A 57 -0.549 12.823 -2.651 1.00 0.00 C ATOM 836 O TRP A 57 0.424 13.268 -3.211 1.00 0.00 O ATOM 837 CB TRP A 57 0.297 10.811 -1.267 1.00 0.00 C ATOM 838 CG TRP A 57 0.480 11.803 -0.171 1.00 0.00 C ATOM 839 CD1 TRP A 57 -0.388 12.777 0.158 1.00 0.00 C ATOM 840 CD2 TRP A 57 1.579 11.937 0.737 1.00 0.00 C ATOM 841 NE1 TRP A 57 0.126 13.577 1.104 1.00 0.00 N ATOM 842 CE2 TRP A 57 1.312 13.080 1.497 1.00 0.00 C ATOM 843 CE3 TRP A 57 2.769 11.248 0.973 1.00 0.00 C ATOM 844 CZ2 TRP A 57 2.155 13.560 2.438 1.00 0.00 C ATOM 845 CZ3 TRP A 57 3.617 11.733 1.955 1.00 0.00 C ATOM 846 CH2 TRP A 57 3.310 12.887 2.670 1.00 0.00 C ATOM 0 H TRP A 57 0.330 11.059 -4.226 1.00 0.00 H new ATOM 0 HA TRP A 57 -1.668 11.109 -2.076 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -0.105 9.888 -0.848 1.00 0.00 H new ATOM 0 HB3 TRP A 57 1.270 10.570 -1.695 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -1.367 12.898 -0.281 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -0.311 14.424 1.466 1.00 0.00 H new ATOM 0 HE3 TRP A 57 3.021 10.363 0.407 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 1.915 14.456 2.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 4.534 11.205 2.170 1.00 0.00 H new ATOM 0 HH2 TRP A 57 3.999 13.251 3.418 1.00 0.00 H new ATOM 857 N ASP A 58 -1.558 13.580 -2.155 1.00 0.00 N ATOM 858 CA ASP A 58 -1.758 15.038 -2.394 1.00 0.00 C ATOM 859 C ASP A 58 -0.585 15.791 -3.022 1.00 0.00 C ATOM 860 O ASP A 58 -0.757 16.386 -4.086 1.00 0.00 O ATOM 861 CB ASP A 58 -2.258 15.781 -1.126 1.00 0.00 C ATOM 862 CG ASP A 58 -1.294 15.890 0.050 1.00 0.00 C ATOM 863 OD1 ASP A 58 -0.198 16.459 -0.096 1.00 0.00 O ATOM 864 OD2 ASP A 58 -1.657 15.421 1.146 1.00 0.00 O ATOM 0 H ASP A 58 -2.282 13.182 -1.556 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.537 15.047 -3.156 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.547 16.790 -1.419 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.161 15.280 -0.776 1.00 0.00 H new ATOM 869 N GLY A 59 0.588 15.789 -2.395 1.00 0.00 N ATOM 870 CA GLY A 59 1.697 16.535 -2.991 1.00 0.00 C ATOM 871 C GLY A 59 2.107 16.048 -4.386 1.00 0.00 C ATOM 872 O GLY A 59 2.677 16.815 -5.164 1.00 0.00 O ATOM 0 H GLY A 59 0.793 15.307 -1.520 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.420 17.587 -3.053 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.560 16.471 -2.328 1.00 0.00 H new ATOM 876 N LYS A 60 1.808 14.783 -4.702 1.00 0.00 N ATOM 877 CA LYS A 60 2.308 14.116 -5.906 1.00 0.00 C ATOM 878 C LYS A 60 1.921 12.634 -5.891 1.00 0.00 C ATOM 879 O LYS A 60 0.815 12.260 -5.516 1.00 0.00 O ATOM 880 CB LYS A 60 3.827 14.252 -5.928 1.00 0.00 C ATOM 881 CG LYS A 60 4.483 13.666 -4.695 1.00 0.00 C ATOM 882 CD LYS A 60 5.651 14.528 -4.222 1.00 0.00 C ATOM 883 CE LYS A 60 6.508 13.804 -3.194 1.00 0.00 C ATOM 884 NZ LYS A 60 7.644 14.639 -2.723 1.00 0.00 N ATOM 0 H LYS A 60 1.209 14.192 -4.126 1.00 0.00 H new ATOM 0 HA LYS A 60 1.872 14.575 -6.793 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.220 13.755 -6.815 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.092 15.306 -6.010 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.747 13.578 -3.896 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.837 12.659 -4.914 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.267 14.807 -5.077 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.269 15.453 -3.790 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.890 13.521 -2.342 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.893 12.882 -3.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.200 14.106 -2.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.250 14.888 -3.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.278 15.508 -2.284 1.00 0.00 H new ATOM 898 N ILE A 61 2.827 11.808 -6.357 1.00 0.00 N ATOM 899 CA ILE A 61 2.781 10.401 -6.088 1.00 0.00 C ATOM 900 C ILE A 61 4.017 10.104 -5.252 1.00 0.00 C ATOM 901 O ILE A 61 5.131 9.937 -5.746 1.00 0.00 O ATOM 902 CB ILE A 61 2.696 9.587 -7.397 1.00 0.00 C ATOM 903 CG1 ILE A 61 2.335 8.129 -7.105 1.00 0.00 C ATOM 904 CG2 ILE A 61 3.976 9.667 -8.226 1.00 0.00 C ATOM 905 CD1 ILE A 61 2.220 7.280 -8.346 1.00 0.00 C ATOM 0 H ILE A 61 3.616 12.099 -6.934 1.00 0.00 H new ATOM 0 HA ILE A 61 1.887 10.107 -5.538 1.00 0.00 H new ATOM 0 HB ILE A 61 1.903 10.037 -7.995 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.092 7.699 -6.449 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.389 8.098 -6.564 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.859 9.076 -9.134 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.173 10.706 -8.492 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.811 9.277 -7.644 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.962 6.259 -8.066 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.443 7.686 -8.994 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.172 7.281 -8.877 1.00 0.00 H new ATOM 917 N GLN A 62 3.824 10.127 -3.956 1.00 0.00 N ATOM 918 CA GLN A 62 4.952 10.504 -3.121 1.00 0.00 C ATOM 919 C GLN A 62 5.768 9.327 -2.656 1.00 0.00 C ATOM 920 O GLN A 62 6.923 9.477 -2.257 1.00 0.00 O ATOM 921 CB GLN A 62 4.492 11.326 -1.935 1.00 0.00 C ATOM 922 CG GLN A 62 3.353 12.276 -2.250 1.00 0.00 C ATOM 923 CD GLN A 62 3.344 13.512 -1.368 1.00 0.00 C ATOM 924 OE1 GLN A 62 2.170 14.093 -1.217 1.00 0.00 O flip ATOM 925 NE2 GLN A 62 4.379 13.950 -0.865 1.00 0.00 N flip ATOM 0 H GLN A 62 2.954 9.905 -3.472 1.00 0.00 H new ATOM 0 HA GLN A 62 5.605 11.109 -3.749 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.180 10.652 -1.138 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.336 11.901 -1.554 1.00 0.00 H new ATOM 0 HG2 GLN A 62 3.422 12.583 -3.294 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.406 11.749 -2.135 1.00 0.00 H new ATOM 0 HE21 GLN A 62 5.263 13.463 -1.012 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.352 14.800 -0.301 1.00 0.00 H new ATOM 934 N CYS A 63 5.179 8.171 -2.705 1.00 0.00 N ATOM 935 CA CYS A 63 5.884 6.982 -2.325 1.00 0.00 C ATOM 936 C CYS A 63 5.393 5.813 -3.137 1.00 0.00 C ATOM 937 O CYS A 63 4.322 5.866 -3.750 1.00 0.00 O ATOM 938 CB CYS A 63 5.714 6.722 -0.834 1.00 0.00 C ATOM 939 SG CYS A 63 3.985 6.597 -0.283 1.00 0.00 S ATOM 0 H CYS A 63 4.215 8.024 -3.003 1.00 0.00 H new ATOM 0 HA CYS A 63 6.947 7.117 -2.525 1.00 0.00 H new ATOM 0 HB2 CYS A 63 6.232 5.798 -0.578 1.00 0.00 H new ATOM 0 HB3 CYS A 63 6.202 7.524 -0.280 1.00 0.00 H new ATOM 944 N GLN A 64 6.200 4.784 -3.195 1.00 0.00 N ATOM 945 CA GLN A 64 5.792 3.571 -3.835 1.00 0.00 C ATOM 946 C GLN A 64 6.060 2.443 -2.919 1.00 0.00 C ATOM 947 O GLN A 64 7.201 2.221 -2.508 1.00 0.00 O ATOM 948 CB GLN A 64 6.493 3.381 -5.154 1.00 0.00 C ATOM 949 CG GLN A 64 6.181 4.528 -6.050 1.00 0.00 C ATOM 950 CD GLN A 64 6.739 4.372 -7.448 1.00 0.00 C ATOM 951 OE1 GLN A 64 7.854 4.798 -7.735 1.00 0.00 O ATOM 952 NE2 GLN A 64 5.964 3.756 -8.328 1.00 0.00 N ATOM 0 H GLN A 64 7.142 4.767 -2.805 1.00 0.00 H new ATOM 0 HA GLN A 64 4.725 3.619 -4.054 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.570 3.309 -4.999 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.174 2.447 -5.616 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.099 4.648 -6.111 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.579 5.442 -5.609 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.044 3.417 -8.048 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.288 3.620 -9.286 1.00 0.00 H new ATOM 961 N VAL A 65 5.021 1.746 -2.559 1.00 0.00 N ATOM 962 CA VAL A 65 5.200 0.841 -1.482 1.00 0.00 C ATOM 963 C VAL A 65 5.897 -0.421 -1.915 1.00 0.00 C ATOM 964 O VAL A 65 5.438 -1.102 -2.816 1.00 0.00 O ATOM 965 CB VAL A 65 3.891 0.498 -0.741 1.00 0.00 C ATOM 966 CG1 VAL A 65 3.968 -0.867 -0.071 1.00 0.00 C ATOM 967 CG2 VAL A 65 3.628 1.547 0.298 1.00 0.00 C ATOM 0 H VAL A 65 4.090 1.786 -2.975 1.00 0.00 H new ATOM 0 HA VAL A 65 5.839 1.369 -0.774 1.00 0.00 H new ATOM 0 HB VAL A 65 3.082 0.470 -1.471 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.028 -1.075 0.441 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.147 -1.633 -0.825 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.784 -0.872 0.652 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.704 1.312 0.827 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.455 1.572 1.007 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.533 2.520 -0.184 1.00 0.00 H new ATOM 977 N ASN A 66 7.005 -0.730 -1.276 1.00 0.00 N ATOM 978 CA ASN A 66 7.681 -1.957 -1.626 1.00 0.00 C ATOM 979 C ASN A 66 7.187 -3.090 -0.749 1.00 0.00 C ATOM 980 O ASN A 66 7.062 -2.954 0.466 1.00 0.00 O ATOM 981 CB ASN A 66 9.200 -1.813 -1.525 1.00 0.00 C ATOM 982 CG ASN A 66 9.926 -3.100 -1.878 1.00 0.00 C ATOM 983 OD1 ASN A 66 10.208 -3.927 -1.014 1.00 0.00 O ATOM 984 ND2 ASN A 66 10.228 -3.279 -3.156 1.00 0.00 N ATOM 0 H ASN A 66 7.442 -0.174 -0.541 1.00 0.00 H new ATOM 0 HA ASN A 66 7.448 -2.187 -2.666 1.00 0.00 H new ATOM 0 HB2 ASN A 66 9.532 -1.017 -2.191 1.00 0.00 H new ATOM 0 HB3 ASN A 66 9.468 -1.514 -0.512 1.00 0.00 H new ATOM 0 HD21 ASN A 66 10.712 -4.127 -3.452 1.00 0.00 H new ATOM 0 HD22 ASN A 66 9.977 -2.569 -3.844 1.00 0.00 H new ATOM 991 N VAL A 67 6.888 -4.197 -1.391 1.00 0.00 N ATOM 992 CA VAL A 67 6.275 -5.323 -0.736 1.00 0.00 C ATOM 993 C VAL A 67 7.132 -6.551 -0.873 1.00 0.00 C ATOM 994 O VAL A 67 7.671 -6.797 -1.940 1.00 0.00 O ATOM 995 CB VAL A 67 4.874 -5.584 -1.316 1.00 0.00 C ATOM 996 CG1 VAL A 67 4.210 -6.769 -0.636 1.00 0.00 C ATOM 997 CG2 VAL A 67 4.021 -4.337 -1.174 1.00 0.00 C ATOM 0 H VAL A 67 7.065 -4.339 -2.385 1.00 0.00 H new ATOM 0 HA VAL A 67 6.177 -5.089 0.324 1.00 0.00 H new ATOM 0 HB VAL A 67 4.976 -5.827 -2.374 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.222 -6.929 -1.067 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.819 -7.661 -0.783 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.112 -6.569 0.431 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.030 -4.526 -1.586 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.932 -4.075 -0.120 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.488 -3.513 -1.714 1.00 0.00 H new ATOM 1007 N PRO A 68 7.318 -7.287 0.232 1.00 0.00 N ATOM 1008 CA PRO A 68 7.968 -8.585 0.253 1.00 0.00 C ATOM 1009 C PRO A 68 6.960 -9.728 0.107 1.00 0.00 C ATOM 1010 O PRO A 68 5.746 -9.508 0.122 1.00 0.00 O ATOM 1011 CB PRO A 68 8.630 -8.624 1.642 1.00 0.00 C ATOM 1012 CG PRO A 68 8.111 -7.426 2.388 1.00 0.00 C ATOM 1013 CD PRO A 68 6.955 -6.889 1.590 1.00 0.00 C ATOM 0 HA PRO A 68 8.671 -8.712 -0.571 1.00 0.00 H new ATOM 0 HB2 PRO A 68 8.381 -9.547 2.166 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.716 -8.589 1.557 1.00 0.00 H new ATOM 0 HG2 PRO A 68 7.792 -7.704 3.393 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.890 -6.671 2.498 1.00 0.00 H new ATOM 0 HD2 PRO A 68 6.005 -7.323 1.903 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.859 -5.808 1.687 1.00 0.00 H new ATOM 1021 N GLU A 69 7.475 -10.940 -0.034 1.00 0.00 N ATOM 1022 CA GLU A 69 6.637 -12.131 -0.208 1.00 0.00 C ATOM 1023 C GLU A 69 5.754 -12.402 1.019 1.00 0.00 C ATOM 1024 O GLU A 69 4.803 -13.180 0.949 1.00 0.00 O ATOM 1025 CB GLU A 69 7.520 -13.359 -0.498 1.00 0.00 C ATOM 1026 CG GLU A 69 8.416 -13.792 0.664 1.00 0.00 C ATOM 1027 CD GLU A 69 9.370 -12.707 1.123 1.00 0.00 C ATOM 1028 OE1 GLU A 69 8.975 -11.901 1.995 1.00 0.00 O ATOM 1029 OE2 GLU A 69 10.491 -12.635 0.591 1.00 0.00 O ATOM 0 H GLU A 69 8.477 -11.132 -0.032 1.00 0.00 H new ATOM 0 HA GLU A 69 5.976 -11.943 -1.054 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.877 -14.195 -0.774 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.148 -13.142 -1.362 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.790 -14.094 1.503 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.991 -14.668 0.363 1.00 0.00 H new ATOM 1036 N THR A 70 6.079 -11.753 2.133 1.00 0.00 N ATOM 1037 CA THR A 70 5.346 -11.967 3.382 1.00 0.00 C ATOM 1038 C THR A 70 3.860 -11.570 3.306 1.00 0.00 C ATOM 1039 O THR A 70 3.051 -12.044 4.104 1.00 0.00 O ATOM 1040 CB THR A 70 6.019 -11.191 4.531 1.00 0.00 C ATOM 1041 OG1 THR A 70 6.279 -9.844 4.116 1.00 0.00 O ATOM 1042 CG2 THR A 70 7.320 -11.861 4.951 1.00 0.00 C ATOM 0 H THR A 70 6.840 -11.078 2.199 1.00 0.00 H new ATOM 0 HA THR A 70 5.379 -13.041 3.568 1.00 0.00 H new ATOM 0 HB THR A 70 5.344 -11.187 5.387 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.705 -9.352 4.849 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.775 -11.294 5.763 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.114 -12.877 5.288 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.004 -11.892 4.103 1.00 0.00 H new ATOM 1050 N ALA A 71 3.496 -10.709 2.357 1.00 0.00 N ATOM 1051 CA ALA A 71 2.109 -10.245 2.280 1.00 0.00 C ATOM 1052 C ALA A 71 1.236 -11.234 1.530 1.00 0.00 C ATOM 1053 O ALA A 71 1.628 -11.785 0.502 1.00 0.00 O ATOM 1054 CB ALA A 71 2.041 -8.869 1.640 1.00 0.00 C ATOM 0 H ALA A 71 4.121 -10.326 1.648 1.00 0.00 H new ATOM 0 HA ALA A 71 1.724 -10.171 3.297 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.003 -8.541 1.592 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.617 -8.162 2.236 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.454 -8.916 0.632 1.00 0.00 H new ATOM 1060 N ILE A 72 0.035 -11.437 2.055 1.00 0.00 N ATOM 1061 CA ILE A 72 -0.830 -12.493 1.588 1.00 0.00 C ATOM 1062 C ILE A 72 -2.252 -11.981 1.290 1.00 0.00 C ATOM 1063 O ILE A 72 -2.574 -11.684 0.140 1.00 0.00 O ATOM 1064 CB ILE A 72 -0.864 -13.635 2.630 1.00 0.00 C ATOM 1065 CG1 ILE A 72 0.524 -14.271 2.786 1.00 0.00 C ATOM 1066 CG2 ILE A 72 -1.892 -14.701 2.265 1.00 0.00 C ATOM 1067 CD1 ILE A 72 1.068 -14.890 1.513 1.00 0.00 C ATOM 0 H ILE A 72 -0.358 -10.875 2.810 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.427 -12.873 0.649 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.160 -13.195 3.582 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.223 -13.511 3.135 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.475 -15.038 3.559 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.886 -15.486 3.021 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.883 -14.250 2.218 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.643 -15.130 1.294 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.052 -15.317 1.708 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.392 -15.675 1.172 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.152 -14.123 0.743 1.00 0.00 H new ATOM 1079 N SER A 73 -3.087 -11.858 2.326 1.00 0.00 N ATOM 1080 CA SER A 73 -4.487 -11.464 2.141 1.00 0.00 C ATOM 1081 C SER A 73 -5.154 -11.211 3.490 1.00 0.00 C ATOM 1082 O SER A 73 -4.925 -11.990 4.423 1.00 0.00 O ATOM 1083 CB SER A 73 -5.236 -12.555 1.380 1.00 0.00 C ATOM 1084 OG SER A 73 -5.041 -13.830 1.971 1.00 0.00 O ATOM 0 H SER A 73 -2.820 -12.024 3.296 1.00 0.00 H new ATOM 0 HA SER A 73 -4.518 -10.540 1.563 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.300 -12.321 1.361 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.896 -12.577 0.345 1.00 0.00 H new ATOM 0 HG SER A 73 -5.535 -14.506 1.461 1.00 0.00 H new ATOM 1090 N ASP A 74 -5.971 -10.127 3.605 1.00 0.00 N ATOM 1091 CA ASP A 74 -6.498 -9.736 4.902 1.00 0.00 C ATOM 1092 C ASP A 74 -5.329 -9.525 5.858 1.00 0.00 C ATOM 1093 O ASP A 74 -4.189 -9.370 5.407 1.00 0.00 O ATOM 1094 CB ASP A 74 -7.464 -10.804 5.436 1.00 0.00 C ATOM 1095 CG ASP A 74 -8.590 -11.102 4.460 1.00 0.00 C ATOM 1096 OD1 ASP A 74 -8.364 -11.887 3.510 1.00 0.00 O ATOM 1097 OD2 ASP A 74 -9.692 -10.549 4.639 1.00 0.00 O ATOM 0 H ASP A 74 -6.261 -9.536 2.826 1.00 0.00 H new ATOM 0 HA ASP A 74 -7.061 -8.807 4.809 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.911 -11.721 5.641 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.886 -10.468 6.383 1.00 0.00 H new ATOM 1102 N GLN A 75 -5.608 -9.501 7.156 1.00 0.00 N ATOM 1103 CA GLN A 75 -4.562 -9.420 8.178 1.00 0.00 C ATOM 1104 C GLN A 75 -3.801 -8.086 8.129 1.00 0.00 C ATOM 1105 O GLN A 75 -3.684 -7.440 7.073 1.00 0.00 O ATOM 1106 CB GLN A 75 -3.601 -10.604 8.031 1.00 0.00 C ATOM 1107 CG GLN A 75 -4.287 -11.950 8.196 1.00 0.00 C ATOM 1108 CD GLN A 75 -3.420 -13.110 7.761 1.00 0.00 C ATOM 1109 OE1 GLN A 75 -2.668 -13.672 8.555 1.00 0.00 O ATOM 1110 NE2 GLN A 75 -3.523 -13.481 6.494 1.00 0.00 N ATOM 0 H GLN A 75 -6.556 -9.537 7.531 1.00 0.00 H new ATOM 0 HA GLN A 75 -5.045 -9.467 9.154 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -3.128 -10.561 7.050 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -2.807 -10.514 8.772 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -4.567 -12.084 9.241 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -5.210 -11.955 7.616 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -4.160 -12.987 5.868 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -2.966 -14.260 6.144 1.00 0.00 H new ATOM 1119 N GLN A 76 -3.318 -7.668 9.296 1.00 0.00 N ATOM 1120 CA GLN A 76 -2.582 -6.419 9.429 1.00 0.00 C ATOM 1121 C GLN A 76 -1.164 -6.580 8.908 1.00 0.00 C ATOM 1122 O GLN A 76 -0.422 -7.452 9.358 1.00 0.00 O ATOM 1123 CB GLN A 76 -2.541 -5.947 10.894 1.00 0.00 C ATOM 1124 CG GLN A 76 -3.896 -5.543 11.468 1.00 0.00 C ATOM 1125 CD GLN A 76 -4.706 -6.709 12.020 1.00 0.00 C ATOM 1126 OE1 GLN A 76 -4.593 -7.846 11.569 1.00 0.00 O ATOM 1127 NE2 GLN A 76 -5.540 -6.426 13.007 1.00 0.00 N ATOM 0 H GLN A 76 -3.426 -8.183 10.170 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.102 -5.666 8.837 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -2.124 -6.745 11.508 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -1.861 -5.098 10.970 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -3.740 -4.814 12.263 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.476 -5.047 10.690 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -5.609 -5.471 13.358 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.114 -7.163 13.417 1.00 0.00 H new ATOM 1136 N LEU A 77 -0.792 -5.735 7.963 1.00 0.00 N ATOM 1137 CA LEU A 77 0.523 -5.803 7.379 1.00 0.00 C ATOM 1138 C LEU A 77 1.009 -4.380 7.168 1.00 0.00 C ATOM 1139 O LEU A 77 0.391 -3.597 6.436 1.00 0.00 O ATOM 1140 CB LEU A 77 0.480 -6.580 6.052 1.00 0.00 C ATOM 1141 CG LEU A 77 1.750 -7.370 5.695 1.00 0.00 C ATOM 1142 CD1 LEU A 77 2.936 -6.446 5.476 1.00 0.00 C ATOM 1143 CD2 LEU A 77 2.068 -8.390 6.778 1.00 0.00 C ATOM 0 H LEU A 77 -1.387 -4.996 7.588 1.00 0.00 H new ATOM 0 HA LEU A 77 1.210 -6.333 8.039 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.359 -7.275 6.087 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.276 -5.874 5.247 1.00 0.00 H new ATOM 0 HG LEU A 77 1.559 -7.897 4.760 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.817 -7.037 5.225 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.716 -5.759 4.659 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.128 -5.878 6.386 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.970 -8.939 6.507 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.227 -7.876 7.726 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.235 -9.086 6.878 1.00 0.00 H new ATOM 1155 N LEU A 78 2.081 -4.026 7.848 1.00 0.00 N ATOM 1156 CA LEU A 78 2.577 -2.675 7.740 1.00 0.00 C ATOM 1157 C LEU A 78 3.505 -2.581 6.532 1.00 0.00 C ATOM 1158 O LEU A 78 4.442 -3.367 6.400 1.00 0.00 O ATOM 1159 CB LEU A 78 3.291 -2.262 9.037 1.00 0.00 C ATOM 1160 CG LEU A 78 3.602 -0.766 9.198 1.00 0.00 C ATOM 1161 CD1 LEU A 78 3.789 -0.427 10.666 1.00 0.00 C ATOM 1162 CD2 LEU A 78 4.850 -0.376 8.419 1.00 0.00 C ATOM 0 H LEU A 78 2.612 -4.640 8.466 1.00 0.00 H new ATOM 0 HA LEU A 78 1.746 -1.984 7.595 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.676 -2.576 9.881 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.228 -2.815 9.102 1.00 0.00 H new ATOM 0 HG LEU A 78 2.758 -0.203 8.799 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.009 0.636 10.769 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.876 -0.663 11.213 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.616 -1.010 11.071 1.00 0.00 H new ATOM 0 HD21 LEU A 78 5.044 0.688 8.552 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.702 -0.949 8.785 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.699 -0.587 7.360 1.00 0.00 H new ATOM 1174 N LEU A 79 3.238 -1.626 5.657 1.00 0.00 N ATOM 1175 CA LEU A 79 3.983 -1.531 4.411 1.00 0.00 C ATOM 1176 C LEU A 79 4.836 -0.265 4.358 1.00 0.00 C ATOM 1177 O LEU A 79 4.424 0.805 4.829 1.00 0.00 O ATOM 1178 CB LEU A 79 3.024 -1.576 3.222 1.00 0.00 C ATOM 1179 CG LEU A 79 2.317 -2.917 3.008 1.00 0.00 C ATOM 1180 CD1 LEU A 79 1.372 -2.834 1.823 1.00 0.00 C ATOM 1181 CD2 LEU A 79 3.335 -4.029 2.795 1.00 0.00 C ATOM 0 H LEU A 79 2.520 -0.913 5.783 1.00 0.00 H new ATOM 0 HA LEU A 79 4.659 -2.385 4.360 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.268 -0.802 3.355 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.579 -1.327 2.318 1.00 0.00 H new ATOM 0 HG LEU A 79 1.736 -3.146 3.901 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.877 -3.795 1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.623 -2.064 2.008 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.936 -2.583 0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.815 -4.975 2.645 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.941 -3.804 1.917 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.980 -4.105 3.671 1.00 0.00 H new ATOM 1193 N PRO A 80 6.046 -0.382 3.789 1.00 0.00 N ATOM 1194 CA PRO A 80 6.974 0.726 3.652 1.00 0.00 C ATOM 1195 C PRO A 80 6.823 1.479 2.327 1.00 0.00 C ATOM 1196 O PRO A 80 6.961 0.907 1.238 1.00 0.00 O ATOM 1197 CB PRO A 80 8.333 0.032 3.733 1.00 0.00 C ATOM 1198 CG PRO A 80 8.110 -1.359 3.221 1.00 0.00 C ATOM 1199 CD PRO A 80 6.621 -1.626 3.254 1.00 0.00 C ATOM 0 HA PRO A 80 6.814 1.493 4.410 1.00 0.00 H new ATOM 0 HB2 PRO A 80 9.076 0.556 3.132 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.704 0.017 4.758 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.495 -1.460 2.206 1.00 0.00 H new ATOM 0 HG3 PRO A 80 8.643 -2.084 3.837 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.234 -1.849 2.260 1.00 0.00 H new ATOM 0 HD3 PRO A 80 6.383 -2.480 3.888 1.00 0.00 H new ATOM 1207 N CYS A 81 6.524 2.765 2.436 1.00 0.00 N ATOM 1208 CA CYS A 81 6.449 3.648 1.279 1.00 0.00 C ATOM 1209 C CYS A 81 7.838 4.135 0.893 1.00 0.00 C ATOM 1210 O CYS A 81 8.497 4.825 1.672 1.00 0.00 O ATOM 1211 CB CYS A 81 5.547 4.839 1.592 1.00 0.00 C ATOM 1212 SG CYS A 81 3.961 4.827 0.701 1.00 0.00 S ATOM 0 H CYS A 81 6.327 3.225 3.325 1.00 0.00 H new ATOM 0 HA CYS A 81 6.029 3.092 0.441 1.00 0.00 H new ATOM 0 HB2 CYS A 81 5.349 4.859 2.664 1.00 0.00 H new ATOM 0 HB3 CYS A 81 6.080 5.758 1.349 1.00 0.00 H new ATOM 1217 N THR A 82 8.283 3.762 -0.299 1.00 0.00 N ATOM 1218 CA THR A 82 9.588 4.178 -0.786 1.00 0.00 C ATOM 1219 C THR A 82 9.502 5.577 -1.392 1.00 0.00 C ATOM 1220 O THR A 82 8.767 5.795 -2.356 1.00 0.00 O ATOM 1221 CB THR A 82 10.115 3.188 -1.842 1.00 0.00 C ATOM 1222 OG1 THR A 82 9.873 1.844 -1.404 1.00 0.00 O ATOM 1223 CG2 THR A 82 11.606 3.386 -2.083 1.00 0.00 C ATOM 0 H THR A 82 7.759 3.172 -0.945 1.00 0.00 H new ATOM 0 HA THR A 82 10.278 4.192 0.057 1.00 0.00 H new ATOM 0 HB THR A 82 9.589 3.373 -2.778 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.950 1.592 -1.616 1.00 0.00 H new ATOM 0 HG21 THR A 82 11.951 2.674 -2.833 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.786 4.401 -2.437 1.00 0.00 H new ATOM 0 HG23 THR A 82 12.150 3.225 -1.152 1.00 0.00 H new ATOM 1231 N PRO A 83 10.216 6.549 -0.804 1.00 0.00 N ATOM 1232 CA PRO A 83 10.228 7.928 -1.290 1.00 0.00 C ATOM 1233 C PRO A 83 11.170 8.115 -2.476 1.00 0.00 C ATOM 1234 O PRO A 83 12.086 7.318 -2.685 1.00 0.00 O ATOM 1235 CB PRO A 83 10.733 8.711 -0.081 1.00 0.00 C ATOM 1236 CG PRO A 83 11.631 7.758 0.631 1.00 0.00 C ATOM 1237 CD PRO A 83 11.068 6.381 0.390 1.00 0.00 C ATOM 0 HA PRO A 83 9.251 8.248 -1.651 1.00 0.00 H new ATOM 0 HB2 PRO A 83 11.269 9.610 -0.386 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.909 9.032 0.556 1.00 0.00 H new ATOM 0 HG2 PRO A 83 12.651 7.831 0.255 1.00 0.00 H new ATOM 0 HG3 PRO A 83 11.667 7.982 1.697 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.859 5.651 0.217 1.00 0.00 H new ATOM 0 HD3 PRO A 83 10.492 6.030 1.246 1.00 0.00 H new ATOM 1245 N GLN A 84 10.941 9.167 -3.246 1.00 0.00 N ATOM 1246 CA GLN A 84 11.801 9.469 -4.380 1.00 0.00 C ATOM 1247 C GLN A 84 12.153 10.955 -4.401 1.00 0.00 C ATOM 1248 O GLN A 84 13.259 11.340 -4.031 1.00 0.00 O ATOM 1249 CB GLN A 84 11.121 9.050 -5.688 1.00 0.00 C ATOM 1250 CG GLN A 84 11.979 9.266 -6.926 1.00 0.00 C ATOM 1251 CD GLN A 84 11.298 8.802 -8.202 1.00 0.00 C ATOM 1252 OE1 GLN A 84 9.974 8.849 -8.225 1.00 0.00 O flip ATOM 1253 NE2 GLN A 84 11.956 8.406 -9.160 1.00 0.00 N flip ATOM 0 H GLN A 84 10.172 9.823 -3.108 1.00 0.00 H new ATOM 0 HA GLN A 84 12.727 8.903 -4.279 1.00 0.00 H new ATOM 0 HB2 GLN A 84 10.851 7.996 -5.624 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.193 9.610 -5.799 1.00 0.00 H new ATOM 0 HG2 GLN A 84 12.222 10.325 -7.014 1.00 0.00 H new ATOM 0 HG3 GLN A 84 12.921 8.731 -6.807 1.00 0.00 H new ATOM 0 HE21 GLN A 84 12.974 8.384 -9.105 1.00 0.00 H new ATOM 0 HE22 GLN A 84 11.484 8.099 -10.011 1.00 0.00 H new