USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 600 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 72 THR OG1 : rot -69:sc= 0.00413 USER MOD Set 1.2: A 94 THR OG1 : rot 180:sc= 0.00388 USER MOD Set 2.1: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 88 THR OG1 : rot -17:sc= 0.625 USER MOD Set 3.1: A 68 SER OG : rot 180:sc= 0.00229 USER MOD Set 3.2: A 71 THR OG1 : rot 59:sc= 0.538 USER MOD Single : A 13 HIS : no HD1:sc= -0.0498 X(o=-0.05,f=-0.41) USER MOD Single : A 17 SER OG : rot 180:sc= -0.0879 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -0.18 X(o=-0.18,f=-0.34) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.95 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 60:sc= 1.08 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -3.99! C(o=-4!,f=-9.7!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -167:sc= 0 (180deg=-0.165) USER MOD Single : A 69 SER OG : rot 150:sc= 0 USER MOD Single : A 70 SER OG : rot -56:sc= 1.14 USER MOD Single : A 73 TYR OH : rot 180:sc= -0.116 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 180:sc= -0.0579 USER MOD Single : A 81 TYR OH : rot 30:sc= -0.736 USER MOD Single : A 87 SER OG : rot 41:sc= -0.0947 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 179:sc= 1.24 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -153:sc= -0.0111 (180deg=-0.822) USER MOD ----------------------------------------------------------------- ATOM 109 N PRO A 11 -6.781 -11.932 -6.014 1.00 0.00 N ATOM 110 CA PRO A 11 -8.121 -11.680 -6.553 1.00 0.00 C ATOM 111 C PRO A 11 -8.101 -10.704 -7.724 1.00 0.00 C ATOM 112 O PRO A 11 -8.745 -10.935 -8.747 1.00 0.00 O ATOM 113 CB PRO A 11 -8.873 -11.075 -5.365 1.00 0.00 C ATOM 114 CG PRO A 11 -7.811 -10.468 -4.514 1.00 0.00 C ATOM 115 CD PRO A 11 -6.599 -11.343 -4.677 1.00 0.00 C ATOM 0 HA PRO A 11 -8.579 -12.587 -6.948 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.594 -10.326 -5.693 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.430 -11.837 -4.820 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.599 -9.445 -4.825 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -8.124 -10.425 -3.471 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.676 -10.767 -4.614 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.550 -12.109 -3.904 1.00 0.00 H new ATOM 123 N ARG A 12 -7.358 -9.614 -7.567 1.00 0.00 N ATOM 124 CA ARG A 12 -7.255 -8.602 -8.612 1.00 0.00 C ATOM 125 C ARG A 12 -5.893 -7.917 -8.573 1.00 0.00 C ATOM 126 O ARG A 12 -5.044 -8.246 -7.743 1.00 0.00 O ATOM 127 CB ARG A 12 -8.366 -7.562 -8.455 1.00 0.00 C ATOM 128 CG ARG A 12 -9.645 -7.922 -9.194 1.00 0.00 C ATOM 129 CD ARG A 12 -10.845 -7.185 -8.619 1.00 0.00 C ATOM 130 NE ARG A 12 -12.109 -7.756 -9.079 1.00 0.00 N ATOM 131 CZ ARG A 12 -12.598 -7.570 -10.300 1.00 0.00 C ATOM 132 NH1 ARG A 12 -11.933 -6.833 -11.179 1.00 0.00 N ATOM 133 NH2 ARG A 12 -13.754 -8.122 -10.644 1.00 0.00 N ATOM 0 H ARG A 12 -6.818 -9.409 -6.726 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.365 -9.098 -9.576 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.591 -7.440 -7.395 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.005 -6.599 -8.818 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.538 -7.677 -10.251 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.813 -8.997 -9.132 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.805 -7.221 -7.530 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -10.796 -6.134 -8.905 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.645 -8.329 -8.427 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.044 -6.407 -10.918 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -12.311 -6.692 -12.116 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -14.268 -8.690 -9.971 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.129 -7.979 -11.582 1.00 0.00 H new ATOM 147 N HIS A 13 -5.690 -6.962 -9.475 1.00 0.00 N ATOM 148 CA HIS A 13 -4.430 -6.230 -9.544 1.00 0.00 C ATOM 149 C HIS A 13 -4.521 -4.918 -8.769 1.00 0.00 C ATOM 150 O HIS A 13 -5.613 -4.398 -8.535 1.00 0.00 O ATOM 151 CB HIS A 13 -4.057 -5.950 -11.000 1.00 0.00 C ATOM 152 CG HIS A 13 -3.985 -7.183 -11.847 1.00 0.00 C ATOM 153 ND1 HIS A 13 -5.102 -7.845 -12.310 1.00 0.00 N ATOM 154 CD2 HIS A 13 -2.919 -7.873 -12.316 1.00 0.00 C ATOM 155 CE1 HIS A 13 -4.727 -8.890 -13.026 1.00 0.00 C ATOM 156 NE2 HIS A 13 -3.407 -8.929 -13.045 1.00 0.00 N ATOM 0 H HIS A 13 -6.382 -6.677 -10.168 1.00 0.00 H new ATOM 0 HA HIS A 13 -3.655 -6.847 -9.090 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -4.790 -5.266 -11.429 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -3.093 -5.443 -11.028 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -1.879 -7.637 -12.148 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -5.387 -9.593 -13.513 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -2.842 -9.630 -13.524 1.00 0.00 H new ATOM 165 N LEU A 14 -3.369 -4.390 -8.372 1.00 0.00 N ATOM 166 CA LEU A 14 -3.318 -3.140 -7.622 1.00 0.00 C ATOM 167 C LEU A 14 -3.093 -1.954 -8.555 1.00 0.00 C ATOM 168 O LEU A 14 -2.868 -2.127 -9.753 1.00 0.00 O ATOM 169 CB LEU A 14 -2.206 -3.196 -6.573 1.00 0.00 C ATOM 170 CG LEU A 14 -2.538 -3.948 -5.284 1.00 0.00 C ATOM 171 CD1 LEU A 14 -1.268 -4.269 -4.511 1.00 0.00 C ATOM 172 CD2 LEU A 14 -3.495 -3.135 -4.424 1.00 0.00 C ATOM 0 H LEU A 14 -2.457 -4.808 -8.557 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.276 -3.007 -7.120 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.330 -3.660 -7.026 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.927 -2.175 -6.313 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.025 -4.886 -5.549 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.524 -4.804 -3.597 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.616 -4.890 -5.125 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.753 -3.343 -4.257 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.720 -3.685 -3.511 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.034 -2.181 -4.168 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.417 -2.955 -4.976 1.00 0.00 H new ATOM 184 N GLY A 15 -3.153 -0.749 -7.997 1.00 0.00 N ATOM 185 CA GLY A 15 -2.951 0.448 -8.793 1.00 0.00 C ATOM 186 C GLY A 15 -2.380 1.594 -7.983 1.00 0.00 C ATOM 187 O GLY A 15 -2.891 1.922 -6.912 1.00 0.00 O ATOM 0 H GLY A 15 -3.338 -0.580 -7.008 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.278 0.221 -9.620 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.901 0.754 -9.230 1.00 0.00 H new ATOM 191 N PHE A 16 -1.315 2.204 -8.493 1.00 0.00 N ATOM 192 CA PHE A 16 -0.672 3.319 -7.807 1.00 0.00 C ATOM 193 C PHE A 16 -0.862 4.618 -8.584 1.00 0.00 C ATOM 194 O PHE A 16 -0.434 4.736 -9.733 1.00 0.00 O ATOM 195 CB PHE A 16 0.821 3.037 -7.620 1.00 0.00 C ATOM 196 CG PHE A 16 1.101 1.829 -6.774 1.00 0.00 C ATOM 197 CD1 PHE A 16 0.904 1.866 -5.403 1.00 0.00 C ATOM 198 CD2 PHE A 16 1.562 0.655 -7.349 1.00 0.00 C ATOM 199 CE1 PHE A 16 1.161 0.756 -4.620 1.00 0.00 C ATOM 200 CE2 PHE A 16 1.819 -0.458 -6.572 1.00 0.00 C ATOM 201 CZ PHE A 16 1.620 -0.408 -5.206 1.00 0.00 C ATOM 0 H PHE A 16 -0.879 1.945 -9.378 1.00 0.00 H new ATOM 0 HA PHE A 16 -1.140 3.430 -6.829 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.282 2.900 -8.598 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.293 3.907 -7.164 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.545 2.773 -4.940 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.722 0.610 -8.416 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.003 0.799 -3.552 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.176 -1.367 -7.033 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.823 -1.277 -4.597 1.00 0.00 H new ATOM 211 N SER A 17 -1.508 5.591 -7.950 1.00 0.00 N ATOM 212 CA SER A 17 -1.759 6.881 -8.582 1.00 0.00 C ATOM 213 C SER A 17 -1.314 8.026 -7.677 1.00 0.00 C ATOM 214 O SER A 17 -0.994 7.818 -6.507 1.00 0.00 O ATOM 215 CB SER A 17 -3.245 7.028 -8.917 1.00 0.00 C ATOM 216 OG SER A 17 -3.477 8.174 -9.717 1.00 0.00 O ATOM 0 H SER A 17 -1.867 5.511 -6.999 1.00 0.00 H new ATOM 0 HA SER A 17 -1.180 6.925 -9.504 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.592 6.138 -9.442 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.823 7.101 -7.996 1.00 0.00 H new ATOM 0 HG SER A 17 -4.434 8.244 -9.918 1.00 0.00 H new ATOM 222 N ASP A 18 -1.297 9.234 -8.228 1.00 0.00 N ATOM 223 CA ASP A 18 -0.893 10.414 -7.472 1.00 0.00 C ATOM 224 C ASP A 18 0.306 10.103 -6.581 1.00 0.00 C ATOM 225 O ASP A 18 0.345 10.497 -5.415 1.00 0.00 O ATOM 226 CB ASP A 18 -2.057 10.924 -6.621 1.00 0.00 C ATOM 227 CG ASP A 18 -2.972 11.855 -7.392 1.00 0.00 C ATOM 228 OD1 ASP A 18 -2.455 12.715 -8.137 1.00 0.00 O ATOM 229 OD2 ASP A 18 -4.206 11.724 -7.252 1.00 0.00 O ATOM 0 H ASP A 18 -1.558 9.422 -9.196 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.605 11.189 -8.182 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.633 10.075 -6.253 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.664 11.446 -5.748 1.00 0.00 H new ATOM 234 N VAL A 19 1.283 9.394 -7.138 1.00 0.00 N ATOM 235 CA VAL A 19 2.483 9.030 -6.394 1.00 0.00 C ATOM 236 C VAL A 19 3.397 10.236 -6.202 1.00 0.00 C ATOM 237 O VAL A 19 3.529 11.076 -7.092 1.00 0.00 O ATOM 238 CB VAL A 19 3.269 7.914 -7.108 1.00 0.00 C ATOM 239 CG1 VAL A 19 4.486 7.510 -6.290 1.00 0.00 C ATOM 240 CG2 VAL A 19 2.370 6.714 -7.369 1.00 0.00 C ATOM 0 H VAL A 19 1.267 9.060 -8.102 1.00 0.00 H new ATOM 0 HA VAL A 19 2.154 8.667 -5.420 1.00 0.00 H new ATOM 0 HB VAL A 19 3.617 8.295 -8.068 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.028 6.721 -6.810 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.139 8.373 -6.158 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.164 7.146 -5.314 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.941 5.935 -7.874 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.991 6.330 -6.422 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.533 7.016 -7.999 1.00 0.00 H new ATOM 250 N SER A 20 4.025 10.314 -5.033 1.00 0.00 N ATOM 251 CA SER A 20 4.925 11.419 -4.722 1.00 0.00 C ATOM 252 C SER A 20 6.240 10.903 -4.147 1.00 0.00 C ATOM 253 O SER A 20 6.415 9.701 -3.948 1.00 0.00 O ATOM 254 CB SER A 20 4.263 12.379 -3.731 1.00 0.00 C ATOM 255 OG SER A 20 3.171 13.056 -4.329 1.00 0.00 O ATOM 0 H SER A 20 3.927 9.626 -4.286 1.00 0.00 H new ATOM 0 HA SER A 20 5.139 11.954 -5.648 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.918 11.825 -2.858 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.996 13.105 -3.378 1.00 0.00 H new ATOM 0 HG SER A 20 2.764 13.662 -3.675 1.00 0.00 H new ATOM 261 N HIS A 21 7.163 11.822 -3.881 1.00 0.00 N ATOM 262 CA HIS A 21 8.464 11.461 -3.328 1.00 0.00 C ATOM 263 C HIS A 21 8.374 11.253 -1.819 1.00 0.00 C ATOM 264 O HIS A 21 9.302 10.735 -1.198 1.00 0.00 O ATOM 265 CB HIS A 21 9.495 12.545 -3.645 1.00 0.00 C ATOM 266 CG HIS A 21 9.111 13.902 -3.141 1.00 0.00 C ATOM 267 ND1 HIS A 21 8.509 14.857 -3.933 1.00 0.00 N ATOM 268 CD2 HIS A 21 9.245 14.463 -1.916 1.00 0.00 C ATOM 269 CE1 HIS A 21 8.291 15.946 -3.218 1.00 0.00 C ATOM 270 NE2 HIS A 21 8.728 15.733 -1.990 1.00 0.00 N ATOM 0 H HIS A 21 7.034 12.821 -4.039 1.00 0.00 H new ATOM 0 HA HIS A 21 8.780 10.525 -3.788 1.00 0.00 H new ATOM 0 HB2 HIS A 21 10.453 12.262 -3.209 1.00 0.00 H new ATOM 0 HB3 HIS A 21 9.638 12.594 -4.724 1.00 0.00 H new ATOM 0 HD2 HIS A 21 9.678 13.998 -1.043 1.00 0.00 H new ATOM 0 HE1 HIS A 21 7.833 16.856 -3.577 1.00 0.00 H new ATOM 0 HE2 HIS A 21 8.688 16.403 -1.222 1.00 0.00 H new ATOM 279 N ASP A 22 7.252 11.662 -1.237 1.00 0.00 N ATOM 280 CA ASP A 22 7.040 11.520 0.199 1.00 0.00 C ATOM 281 C ASP A 22 5.667 10.922 0.490 1.00 0.00 C ATOM 282 O ASP A 22 5.162 11.018 1.607 1.00 0.00 O ATOM 283 CB ASP A 22 7.177 12.877 0.893 1.00 0.00 C ATOM 284 CG ASP A 22 5.891 13.678 0.854 1.00 0.00 C ATOM 285 OD1 ASP A 22 5.570 14.235 -0.217 1.00 0.00 O ATOM 286 OD2 ASP A 22 5.204 13.748 1.894 1.00 0.00 O ATOM 0 H ASP A 22 6.475 12.094 -1.737 1.00 0.00 H new ATOM 0 HA ASP A 22 7.800 10.843 0.588 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.475 12.723 1.930 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.972 13.448 0.414 1.00 0.00 H new ATOM 291 N ALA A 23 5.070 10.305 -0.524 1.00 0.00 N ATOM 292 CA ALA A 23 3.756 9.690 -0.377 1.00 0.00 C ATOM 293 C ALA A 23 3.385 8.884 -1.617 1.00 0.00 C ATOM 294 O ALA A 23 4.018 9.013 -2.665 1.00 0.00 O ATOM 295 CB ALA A 23 2.704 10.754 -0.102 1.00 0.00 C ATOM 0 H ALA A 23 5.475 10.218 -1.456 1.00 0.00 H new ATOM 0 HA ALA A 23 3.795 9.005 0.470 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.728 10.281 0.006 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.954 11.284 0.817 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.676 11.460 -0.932 1.00 0.00 H new ATOM 301 N ALA A 24 2.356 8.053 -1.491 1.00 0.00 N ATOM 302 CA ALA A 24 1.900 7.228 -2.603 1.00 0.00 C ATOM 303 C ALA A 24 0.482 6.721 -2.365 1.00 0.00 C ATOM 304 O ALA A 24 0.180 6.165 -1.309 1.00 0.00 O ATOM 305 CB ALA A 24 2.851 6.059 -2.817 1.00 0.00 C ATOM 0 H ALA A 24 1.822 7.933 -0.630 1.00 0.00 H new ATOM 0 HA ALA A 24 1.891 7.845 -3.501 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.499 5.451 -3.650 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.848 6.438 -3.040 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.888 5.450 -1.914 1.00 0.00 H new ATOM 311 N ARG A 25 -0.386 6.918 -3.353 1.00 0.00 N ATOM 312 CA ARG A 25 -1.773 6.483 -3.249 1.00 0.00 C ATOM 313 C ARG A 25 -1.958 5.104 -3.875 1.00 0.00 C ATOM 314 O ARG A 25 -1.656 4.899 -5.051 1.00 0.00 O ATOM 315 CB ARG A 25 -2.699 7.493 -3.930 1.00 0.00 C ATOM 316 CG ARG A 25 -4.171 7.272 -3.625 1.00 0.00 C ATOM 317 CD ARG A 25 -5.049 8.271 -4.361 1.00 0.00 C ATOM 318 NE ARG A 25 -5.164 9.536 -3.639 1.00 0.00 N ATOM 319 CZ ARG A 25 -6.174 10.383 -3.796 1.00 0.00 C ATOM 320 NH1 ARG A 25 -7.153 10.102 -4.645 1.00 0.00 N ATOM 321 NH2 ARG A 25 -6.208 11.514 -3.103 1.00 0.00 N ATOM 0 H ARG A 25 -0.152 7.376 -4.234 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.030 6.421 -2.192 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.419 8.499 -3.617 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.548 7.442 -5.008 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.454 6.259 -3.909 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.338 7.361 -2.552 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.635 8.456 -5.352 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.042 7.844 -4.505 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.427 9.782 -2.978 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.131 9.233 -5.179 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.928 10.754 -4.764 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.457 11.734 -2.448 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.985 12.164 -3.225 1.00 0.00 H new ATOM 335 N VAL A 26 -2.457 4.161 -3.082 1.00 0.00 N ATOM 336 CA VAL A 26 -2.683 2.802 -3.558 1.00 0.00 C ATOM 337 C VAL A 26 -4.172 2.475 -3.601 1.00 0.00 C ATOM 338 O VAL A 26 -4.900 2.720 -2.639 1.00 0.00 O ATOM 339 CB VAL A 26 -1.967 1.769 -2.668 1.00 0.00 C ATOM 340 CG1 VAL A 26 -2.299 2.006 -1.202 1.00 0.00 C ATOM 341 CG2 VAL A 26 -2.343 0.355 -3.085 1.00 0.00 C ATOM 0 H VAL A 26 -2.712 4.314 -2.106 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.273 2.748 -4.566 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.891 1.888 -2.797 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.784 1.267 -0.588 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.976 3.006 -0.913 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.375 1.915 -1.053 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.828 -0.362 -2.446 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.420 0.221 -2.986 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.050 0.192 -4.122 1.00 0.00 H new ATOM 351 N PHE A 27 -4.618 1.921 -4.723 1.00 0.00 N ATOM 352 CA PHE A 27 -6.021 1.560 -4.892 1.00 0.00 C ATOM 353 C PHE A 27 -6.155 0.187 -5.544 1.00 0.00 C ATOM 354 O PHE A 27 -5.254 -0.268 -6.249 1.00 0.00 O ATOM 355 CB PHE A 27 -6.741 2.611 -5.739 1.00 0.00 C ATOM 356 CG PHE A 27 -6.303 2.626 -7.176 1.00 0.00 C ATOM 357 CD1 PHE A 27 -6.872 1.758 -8.096 1.00 0.00 C ATOM 358 CD2 PHE A 27 -5.325 3.506 -7.608 1.00 0.00 C ATOM 359 CE1 PHE A 27 -6.470 1.769 -9.418 1.00 0.00 C ATOM 360 CE2 PHE A 27 -4.920 3.522 -8.929 1.00 0.00 C ATOM 361 CZ PHE A 27 -5.494 2.652 -9.836 1.00 0.00 C ATOM 0 H PHE A 27 -4.029 1.712 -5.529 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.481 1.520 -3.905 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.815 2.427 -5.697 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.569 3.596 -5.305 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.637 1.066 -7.776 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.873 4.188 -6.903 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.919 1.087 -10.125 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -4.156 4.214 -9.252 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.180 2.663 -10.869 1.00 0.00 H new ATOM 371 N TRP A 28 -7.284 -0.468 -5.302 1.00 0.00 N ATOM 372 CA TRP A 28 -7.537 -1.790 -5.864 1.00 0.00 C ATOM 373 C TRP A 28 -8.867 -1.820 -6.609 1.00 0.00 C ATOM 374 O TRP A 28 -9.701 -0.932 -6.441 1.00 0.00 O ATOM 375 CB TRP A 28 -7.533 -2.847 -4.758 1.00 0.00 C ATOM 376 CG TRP A 28 -8.216 -2.395 -3.503 1.00 0.00 C ATOM 377 CD1 TRP A 28 -9.474 -2.727 -3.089 1.00 0.00 C ATOM 378 CD2 TRP A 28 -7.679 -1.526 -2.500 1.00 0.00 C ATOM 379 NE1 TRP A 28 -9.752 -2.118 -1.889 1.00 0.00 N ATOM 380 CE2 TRP A 28 -8.666 -1.376 -1.506 1.00 0.00 C ATOM 381 CE3 TRP A 28 -6.459 -0.861 -2.344 1.00 0.00 C ATOM 382 CZ2 TRP A 28 -8.469 -0.588 -0.375 1.00 0.00 C ATOM 383 CZ3 TRP A 28 -6.266 -0.080 -1.221 1.00 0.00 C ATOM 384 CH2 TRP A 28 -7.266 0.051 -0.248 1.00 0.00 C ATOM 0 H TRP A 28 -8.039 -0.106 -4.720 1.00 0.00 H new ATOM 0 HA TRP A 28 -6.740 -2.014 -6.573 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -8.023 -3.749 -5.125 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -6.503 -3.116 -4.526 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -10.152 -3.374 -3.626 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -10.625 -2.204 -1.368 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -5.682 -0.956 -3.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -9.239 -0.485 0.376 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -5.328 0.439 -1.091 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -7.083 0.668 0.619 1.00 0.00 H new ATOM 395 N GLU A 29 -9.057 -2.847 -7.431 1.00 0.00 N ATOM 396 CA GLU A 29 -10.287 -2.991 -8.201 1.00 0.00 C ATOM 397 C GLU A 29 -11.391 -3.615 -7.352 1.00 0.00 C ATOM 398 O GLU A 29 -12.411 -4.064 -7.873 1.00 0.00 O ATOM 399 CB GLU A 29 -10.039 -3.848 -9.444 1.00 0.00 C ATOM 400 CG GLU A 29 -9.427 -3.077 -10.602 1.00 0.00 C ATOM 401 CD GLU A 29 -9.333 -3.906 -11.869 1.00 0.00 C ATOM 402 OE1 GLU A 29 -10.234 -4.738 -12.101 1.00 0.00 O ATOM 403 OE2 GLU A 29 -8.358 -3.722 -12.627 1.00 0.00 O ATOM 0 H GLU A 29 -8.376 -3.591 -7.581 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.609 -1.997 -8.512 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.379 -4.674 -9.180 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.983 -4.285 -9.768 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.025 -2.187 -10.798 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.431 -2.736 -10.321 1.00 0.00 H new ATOM 410 N GLY A 30 -11.178 -3.638 -6.040 1.00 0.00 N ATOM 411 CA GLY A 30 -12.163 -4.209 -5.139 1.00 0.00 C ATOM 412 C GLY A 30 -12.020 -5.712 -5.001 1.00 0.00 C ATOM 413 O GLY A 30 -11.074 -6.303 -5.521 1.00 0.00 O ATOM 0 H GLY A 30 -10.342 -3.272 -5.585 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -12.064 -3.746 -4.157 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -13.163 -3.974 -5.503 1.00 0.00 H new ATOM 417 N ALA A 31 -12.961 -6.332 -4.297 1.00 0.00 N ATOM 418 CA ALA A 31 -12.936 -7.775 -4.093 1.00 0.00 C ATOM 419 C ALA A 31 -14.265 -8.409 -4.490 1.00 0.00 C ATOM 420 O ALA A 31 -15.314 -7.765 -4.484 1.00 0.00 O ATOM 421 CB ALA A 31 -12.608 -8.098 -2.643 1.00 0.00 C ATOM 0 H ALA A 31 -13.750 -5.858 -3.858 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.158 -8.193 -4.732 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.593 -9.179 -2.506 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.631 -7.686 -2.391 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.365 -7.660 -1.992 1.00 0.00 H new ATOM 427 N PRO A 32 -14.223 -9.702 -4.845 1.00 0.00 N ATOM 428 CA PRO A 32 -15.416 -10.451 -5.252 1.00 0.00 C ATOM 429 C PRO A 32 -16.368 -10.700 -4.088 1.00 0.00 C ATOM 430 O PRO A 32 -17.416 -11.325 -4.254 1.00 0.00 O ATOM 431 CB PRO A 32 -14.845 -11.774 -5.769 1.00 0.00 C ATOM 432 CG PRO A 32 -13.541 -11.925 -5.063 1.00 0.00 C ATOM 433 CD PRO A 32 -13.007 -10.532 -4.876 1.00 0.00 C ATOM 0 HA PRO A 32 -16.006 -9.908 -5.991 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -15.513 -12.607 -5.549 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -14.710 -11.751 -6.850 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -13.673 -12.424 -4.103 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -12.850 -12.533 -5.647 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -12.435 -10.441 -3.953 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -12.344 -10.243 -5.691 1.00 0.00 H new ATOM 441 N ARG A 33 -15.998 -10.209 -2.910 1.00 0.00 N ATOM 442 CA ARG A 33 -16.820 -10.380 -1.718 1.00 0.00 C ATOM 443 C ARG A 33 -16.744 -9.146 -0.824 1.00 0.00 C ATOM 444 O ARG A 33 -15.772 -8.390 -0.849 1.00 0.00 O ATOM 445 CB ARG A 33 -16.372 -11.617 -0.937 1.00 0.00 C ATOM 446 CG ARG A 33 -14.872 -11.679 -0.701 1.00 0.00 C ATOM 447 CD ARG A 33 -14.493 -12.866 0.170 1.00 0.00 C ATOM 448 NE ARG A 33 -14.289 -14.079 -0.618 1.00 0.00 N ATOM 449 CZ ARG A 33 -15.273 -14.895 -0.980 1.00 0.00 C ATOM 450 NH1 ARG A 33 -16.523 -14.629 -0.626 1.00 0.00 N ATOM 451 NH2 ARG A 33 -15.008 -15.980 -1.696 1.00 0.00 N ATOM 0 H ARG A 33 -15.134 -9.689 -2.755 1.00 0.00 H new ATOM 0 HA ARG A 33 -17.854 -10.514 -2.036 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -16.883 -11.633 0.025 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -16.683 -12.510 -1.479 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -14.355 -11.749 -1.658 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -14.539 -10.756 -0.225 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.582 -12.635 0.722 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -15.277 -13.040 0.907 1.00 0.00 H new ATOM 0 HE ARG A 33 -13.339 -14.312 -0.906 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -16.731 -13.796 -0.075 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -17.277 -15.257 -0.905 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -14.048 -16.189 -1.969 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -15.765 -16.605 -1.973 1.00 0.00 H new ATOM 465 N PRO A 34 -17.793 -8.936 -0.015 1.00 0.00 N ATOM 466 CA PRO A 34 -17.869 -7.795 0.903 1.00 0.00 C ATOM 467 C PRO A 34 -16.877 -7.911 2.056 1.00 0.00 C ATOM 468 O PRO A 34 -16.585 -9.009 2.528 1.00 0.00 O ATOM 469 CB PRO A 34 -19.306 -7.855 1.425 1.00 0.00 C ATOM 470 CG PRO A 34 -19.699 -9.285 1.288 1.00 0.00 C ATOM 471 CD PRO A 34 -18.985 -9.796 0.068 1.00 0.00 C ATOM 0 HA PRO A 34 -17.620 -6.856 0.408 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -19.364 -7.526 2.463 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -19.965 -7.206 0.847 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -19.415 -9.854 2.173 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -20.779 -9.384 1.178 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -18.716 -10.847 0.171 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -19.604 -9.712 -0.825 1.00 0.00 H new ATOM 479 N VAL A 35 -16.363 -6.770 2.505 1.00 0.00 N ATOM 480 CA VAL A 35 -15.406 -6.744 3.604 1.00 0.00 C ATOM 481 C VAL A 35 -15.843 -5.768 4.691 1.00 0.00 C ATOM 482 O VAL A 35 -16.466 -4.745 4.406 1.00 0.00 O ATOM 483 CB VAL A 35 -13.999 -6.353 3.114 1.00 0.00 C ATOM 484 CG1 VAL A 35 -12.957 -6.664 4.177 1.00 0.00 C ATOM 485 CG2 VAL A 35 -13.672 -7.066 1.810 1.00 0.00 C ATOM 0 H VAL A 35 -16.594 -5.852 2.124 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.372 -7.752 4.017 1.00 0.00 H new ATOM 0 HB VAL A 35 -13.984 -5.279 2.928 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -11.970 -6.381 3.812 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.184 -6.103 5.084 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.970 -7.731 4.398 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.674 -6.778 1.478 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.705 -8.144 1.967 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.402 -6.787 1.050 1.00 0.00 H new ATOM 495 N ARG A 36 -15.512 -6.091 5.937 1.00 0.00 N ATOM 496 CA ARG A 36 -15.871 -5.243 7.067 1.00 0.00 C ATOM 497 C ARG A 36 -14.796 -4.191 7.320 1.00 0.00 C ATOM 498 O ARG A 36 -15.100 -3.048 7.665 1.00 0.00 O ATOM 499 CB ARG A 36 -16.076 -6.091 8.323 1.00 0.00 C ATOM 500 CG ARG A 36 -14.779 -6.594 8.937 1.00 0.00 C ATOM 501 CD ARG A 36 -15.007 -7.170 10.326 1.00 0.00 C ATOM 502 NE ARG A 36 -13.755 -7.349 11.056 1.00 0.00 N ATOM 503 CZ ARG A 36 -13.676 -7.929 12.248 1.00 0.00 C ATOM 504 NH1 ARG A 36 -14.770 -8.384 12.842 1.00 0.00 N ATOM 505 NH2 ARG A 36 -12.499 -8.055 12.849 1.00 0.00 N ATOM 0 H ARG A 36 -14.996 -6.934 6.189 1.00 0.00 H new ATOM 0 HA ARG A 36 -16.804 -4.733 6.825 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -16.615 -5.502 9.065 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -16.706 -6.945 8.076 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.342 -7.357 8.293 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -14.061 -5.776 8.994 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -15.664 -6.508 10.890 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -15.518 -8.129 10.241 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.894 -7.010 10.627 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.676 -8.289 12.384 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.706 -8.829 13.758 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.655 -7.706 12.395 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.439 -8.501 13.765 1.00 0.00 H new ATOM 519 N LEU A 37 -13.539 -4.583 7.147 1.00 0.00 N ATOM 520 CA LEU A 37 -12.417 -3.674 7.357 1.00 0.00 C ATOM 521 C LEU A 37 -11.244 -4.040 6.455 1.00 0.00 C ATOM 522 O LEU A 37 -11.191 -5.138 5.901 1.00 0.00 O ATOM 523 CB LEU A 37 -11.978 -3.705 8.822 1.00 0.00 C ATOM 524 CG LEU A 37 -11.364 -2.415 9.366 1.00 0.00 C ATOM 525 CD1 LEU A 37 -11.620 -2.290 10.860 1.00 0.00 C ATOM 526 CD2 LEU A 37 -9.872 -2.369 9.073 1.00 0.00 C ATOM 0 H LEU A 37 -13.270 -5.525 6.862 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.745 -2.666 7.104 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.843 -3.958 9.434 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.253 -4.509 8.946 1.00 0.00 H new ATOM 0 HG LEU A 37 -11.838 -1.571 8.865 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.176 -1.366 11.229 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -12.694 -2.275 11.045 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.174 -3.139 11.378 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.452 -1.444 9.468 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.382 -3.220 9.545 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.711 -2.410 7.996 1.00 0.00 H new ATOM 538 N VAL A 38 -10.302 -3.113 6.313 1.00 0.00 N ATOM 539 CA VAL A 38 -9.126 -3.338 5.480 1.00 0.00 C ATOM 540 C VAL A 38 -7.869 -2.786 6.143 1.00 0.00 C ATOM 541 O VAL A 38 -7.813 -1.613 6.512 1.00 0.00 O ATOM 542 CB VAL A 38 -9.288 -2.690 4.093 1.00 0.00 C ATOM 543 CG1 VAL A 38 -8.087 -3.003 3.213 1.00 0.00 C ATOM 544 CG2 VAL A 38 -10.578 -3.157 3.434 1.00 0.00 C ATOM 0 H VAL A 38 -10.330 -2.199 6.764 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.026 -4.417 5.359 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.342 -1.609 4.221 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.220 -2.537 2.237 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.182 -2.615 3.681 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.997 -4.082 3.090 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.676 -2.689 2.454 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.556 -4.241 3.318 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.427 -2.876 4.057 1.00 0.00 H new ATOM 554 N ARG A 39 -6.861 -3.640 6.291 1.00 0.00 N ATOM 555 CA ARG A 39 -5.604 -3.238 6.911 1.00 0.00 C ATOM 556 C ARG A 39 -4.463 -3.277 5.899 1.00 0.00 C ATOM 557 O ARG A 39 -4.064 -4.346 5.437 1.00 0.00 O ATOM 558 CB ARG A 39 -5.280 -4.150 8.095 1.00 0.00 C ATOM 559 CG ARG A 39 -4.474 -3.467 9.188 1.00 0.00 C ATOM 560 CD ARG A 39 -4.554 -4.231 10.500 1.00 0.00 C ATOM 561 NE ARG A 39 -5.881 -4.143 11.104 1.00 0.00 N ATOM 562 CZ ARG A 39 -6.291 -4.929 12.094 1.00 0.00 C ATOM 563 NH1 ARG A 39 -5.481 -5.854 12.589 1.00 0.00 N ATOM 564 NH2 ARG A 39 -7.513 -4.788 12.592 1.00 0.00 N ATOM 0 H ARG A 39 -6.890 -4.614 5.990 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.715 -2.215 7.269 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.212 -4.522 8.521 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.726 -5.016 7.734 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.433 -3.385 8.876 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.844 -2.452 9.334 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.303 -5.277 10.326 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.812 -3.837 11.195 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.528 -3.440 10.747 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.540 -5.964 12.210 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.798 -6.456 13.349 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.138 -4.076 12.215 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.827 -5.392 13.352 1.00 0.00 H new ATOM 578 N VAL A 40 -3.941 -2.102 5.558 1.00 0.00 N ATOM 579 CA VAL A 40 -2.846 -2.001 4.601 1.00 0.00 C ATOM 580 C VAL A 40 -1.509 -1.826 5.313 1.00 0.00 C ATOM 581 O VAL A 40 -1.447 -1.285 6.418 1.00 0.00 O ATOM 582 CB VAL A 40 -3.055 -0.824 3.630 1.00 0.00 C ATOM 583 CG1 VAL A 40 -1.902 -0.735 2.642 1.00 0.00 C ATOM 584 CG2 VAL A 40 -4.383 -0.966 2.901 1.00 0.00 C ATOM 0 H VAL A 40 -4.259 -1.207 5.931 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.834 -2.932 4.034 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.079 0.101 4.207 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.067 0.102 1.964 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.969 -0.584 3.185 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.842 -1.660 2.068 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.515 -0.126 2.219 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.390 -1.898 2.335 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.197 -0.976 3.626 1.00 0.00 H new ATOM 594 N THR A 41 -0.439 -2.287 4.673 1.00 0.00 N ATOM 595 CA THR A 41 0.898 -2.183 5.244 1.00 0.00 C ATOM 596 C THR A 41 1.942 -1.943 4.160 1.00 0.00 C ATOM 597 O THR A 41 1.940 -2.610 3.125 1.00 0.00 O ATOM 598 CB THR A 41 1.273 -3.452 6.032 1.00 0.00 C ATOM 599 OG1 THR A 41 0.883 -4.618 5.296 1.00 0.00 O ATOM 600 CG2 THR A 41 0.602 -3.460 7.397 1.00 0.00 C ATOM 0 H THR A 41 -0.473 -2.736 3.758 1.00 0.00 H new ATOM 0 HA THR A 41 0.885 -1.333 5.926 1.00 0.00 H new ATOM 0 HB THR A 41 2.353 -3.458 6.176 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.126 -5.421 5.802 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.882 -4.366 7.935 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.923 -2.587 7.965 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.480 -3.433 7.271 1.00 0.00 H new ATOM 608 N TYR A 42 2.834 -0.990 4.404 1.00 0.00 N ATOM 609 CA TYR A 42 3.884 -0.662 3.447 1.00 0.00 C ATOM 610 C TYR A 42 5.258 -0.713 4.108 1.00 0.00 C ATOM 611 O TYR A 42 5.412 -0.357 5.276 1.00 0.00 O ATOM 612 CB TYR A 42 3.644 0.726 2.851 1.00 0.00 C ATOM 613 CG TYR A 42 3.334 1.785 3.885 1.00 0.00 C ATOM 614 CD1 TYR A 42 2.041 1.964 4.360 1.00 0.00 C ATOM 615 CD2 TYR A 42 4.336 2.606 4.388 1.00 0.00 C ATOM 616 CE1 TYR A 42 1.754 2.930 5.304 1.00 0.00 C ATOM 617 CE2 TYR A 42 4.059 3.574 5.334 1.00 0.00 C ATOM 618 CZ TYR A 42 2.766 3.732 5.789 1.00 0.00 C ATOM 619 OH TYR A 42 2.485 4.695 6.731 1.00 0.00 O ATOM 0 H TYR A 42 2.851 -0.431 5.257 1.00 0.00 H new ATOM 0 HA TYR A 42 3.857 -1.403 2.648 1.00 0.00 H new ATOM 0 HB2 TYR A 42 4.527 1.028 2.288 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.818 0.670 2.142 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.246 1.337 3.984 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.349 2.485 4.033 1.00 0.00 H new ATOM 0 HE1 TYR A 42 0.743 3.057 5.661 1.00 0.00 H new ATOM 0 HE2 TYR A 42 4.850 4.203 5.715 1.00 0.00 H new ATOM 0 HH TYR A 42 3.308 5.171 6.967 1.00 0.00 H new ATOM 629 N VAL A 43 6.255 -1.158 3.349 1.00 0.00 N ATOM 630 CA VAL A 43 7.618 -1.254 3.858 1.00 0.00 C ATOM 631 C VAL A 43 8.635 -0.925 2.772 1.00 0.00 C ATOM 632 O VAL A 43 8.406 -1.190 1.592 1.00 0.00 O ATOM 633 CB VAL A 43 7.912 -2.661 4.412 1.00 0.00 C ATOM 634 CG1 VAL A 43 7.905 -3.689 3.290 1.00 0.00 C ATOM 635 CG2 VAL A 43 9.242 -2.676 5.151 1.00 0.00 C ATOM 0 H VAL A 43 6.144 -1.457 2.380 1.00 0.00 H new ATOM 0 HA VAL A 43 7.706 -0.527 4.666 1.00 0.00 H new ATOM 0 HB VAL A 43 7.126 -2.925 5.120 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.115 -4.677 3.700 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.927 -3.696 2.809 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.669 -3.432 2.556 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.433 -3.678 5.536 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.041 -2.391 4.467 1.00 0.00 H new ATOM 0 HG23 VAL A 43 9.205 -1.970 5.981 1.00 0.00 H new ATOM 645 N SER A 44 9.761 -0.346 3.178 1.00 0.00 N ATOM 646 CA SER A 44 10.813 0.023 2.239 1.00 0.00 C ATOM 647 C SER A 44 11.296 -1.195 1.458 1.00 0.00 C ATOM 648 O SER A 44 11.058 -2.336 1.856 1.00 0.00 O ATOM 649 CB SER A 44 11.986 0.666 2.981 1.00 0.00 C ATOM 650 OG SER A 44 13.090 0.864 2.115 1.00 0.00 O ATOM 0 H SER A 44 9.968 -0.123 4.152 1.00 0.00 H new ATOM 0 HA SER A 44 10.400 0.744 1.534 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.674 1.622 3.402 1.00 0.00 H new ATOM 0 HB3 SER A 44 12.284 0.032 3.816 1.00 0.00 H new ATOM 0 HG SER A 44 13.826 1.278 2.613 1.00 0.00 H new ATOM 714 N SER A 50 8.447 0.751 7.909 1.00 0.00 N ATOM 715 CA SER A 50 7.151 0.302 7.412 1.00 0.00 C ATOM 716 C SER A 50 6.015 0.929 8.214 1.00 0.00 C ATOM 717 O SER A 50 6.204 1.351 9.354 1.00 0.00 O ATOM 718 CB SER A 50 7.056 -1.224 7.478 1.00 0.00 C ATOM 719 OG SER A 50 5.705 -1.650 7.488 1.00 0.00 O ATOM 0 HA SER A 50 7.058 0.620 6.374 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.572 -1.661 6.623 1.00 0.00 H new ATOM 0 HB3 SER A 50 7.561 -1.585 8.374 1.00 0.00 H new ATOM 0 HG SER A 50 5.257 -1.337 6.674 1.00 0.00 H new ATOM 725 N GLY A 51 4.832 0.986 7.609 1.00 0.00 N ATOM 726 CA GLY A 51 3.682 1.562 8.280 1.00 0.00 C ATOM 727 C GLY A 51 2.483 0.635 8.275 1.00 0.00 C ATOM 728 O GLY A 51 2.623 -0.569 8.065 1.00 0.00 O ATOM 0 H GLY A 51 4.650 0.643 6.666 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.948 1.801 9.310 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.414 2.500 7.794 1.00 0.00 H new ATOM 732 N GLN A 52 1.301 1.197 8.508 1.00 0.00 N ATOM 733 CA GLN A 52 0.073 0.412 8.531 1.00 0.00 C ATOM 734 C GLN A 52 -1.150 1.316 8.632 1.00 0.00 C ATOM 735 O GLN A 52 -1.388 1.946 9.664 1.00 0.00 O ATOM 736 CB GLN A 52 0.094 -0.571 9.704 1.00 0.00 C ATOM 737 CG GLN A 52 -1.161 -1.423 9.805 1.00 0.00 C ATOM 738 CD GLN A 52 -0.973 -2.634 10.698 1.00 0.00 C ATOM 739 OE1 GLN A 52 -1.141 -3.773 10.262 1.00 0.00 O ATOM 740 NE2 GLN A 52 -0.621 -2.394 11.956 1.00 0.00 N ATOM 0 H GLN A 52 1.168 2.193 8.683 1.00 0.00 H new ATOM 0 HA GLN A 52 0.012 -0.147 7.597 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.960 -1.225 9.604 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.221 -0.014 10.632 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.979 -0.815 10.191 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.453 -1.753 8.808 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.492 -1.434 12.275 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.479 -3.170 12.603 1.00 0.00 H new ATOM 749 N THR A 53 -1.925 1.378 7.554 1.00 0.00 N ATOM 750 CA THR A 53 -3.124 2.207 7.520 1.00 0.00 C ATOM 751 C THR A 53 -4.383 1.350 7.452 1.00 0.00 C ATOM 752 O THR A 53 -4.413 0.329 6.767 1.00 0.00 O ATOM 753 CB THR A 53 -3.106 3.170 6.318 1.00 0.00 C ATOM 754 OG1 THR A 53 -4.176 4.116 6.433 1.00 0.00 O ATOM 755 CG2 THR A 53 -3.237 2.406 5.010 1.00 0.00 C ATOM 0 H THR A 53 -1.744 0.864 6.692 1.00 0.00 H new ATOM 0 HA THR A 53 -3.133 2.788 8.442 1.00 0.00 H new ATOM 0 HB THR A 53 -2.152 3.698 6.318 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.157 4.726 5.666 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.222 3.107 4.176 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.406 1.707 4.912 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.177 1.855 5.003 1.00 0.00 H new ATOM 763 N GLU A 54 -5.420 1.774 8.167 1.00 0.00 N ATOM 764 CA GLU A 54 -6.683 1.044 8.187 1.00 0.00 C ATOM 765 C GLU A 54 -7.742 1.768 7.361 1.00 0.00 C ATOM 766 O GLU A 54 -7.762 2.996 7.296 1.00 0.00 O ATOM 767 CB GLU A 54 -7.173 0.869 9.626 1.00 0.00 C ATOM 768 CG GLU A 54 -6.549 -0.317 10.342 1.00 0.00 C ATOM 769 CD GLU A 54 -5.218 0.023 10.982 1.00 0.00 C ATOM 770 OE1 GLU A 54 -5.177 0.966 11.800 1.00 0.00 O ATOM 771 OE2 GLU A 54 -4.217 -0.653 10.666 1.00 0.00 O ATOM 0 H GLU A 54 -5.411 2.618 8.740 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.513 0.061 7.747 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.955 1.777 10.188 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.256 0.750 9.620 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.235 -0.676 11.109 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.409 -1.132 9.632 1.00 0.00 H new ATOM 778 N ALA A 55 -8.622 0.996 6.731 1.00 0.00 N ATOM 779 CA ALA A 55 -9.685 1.561 5.911 1.00 0.00 C ATOM 780 C ALA A 55 -10.892 0.630 5.857 1.00 0.00 C ATOM 781 O ALA A 55 -10.779 -0.583 6.034 1.00 0.00 O ATOM 782 CB ALA A 55 -9.174 1.847 4.507 1.00 0.00 C ATOM 0 H ALA A 55 -8.619 -0.023 6.773 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.002 2.498 6.368 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.979 2.269 3.906 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.349 2.557 4.558 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.827 0.920 4.050 1.00 0.00 H new ATOM 788 N PRO A 56 -12.076 1.209 5.608 1.00 0.00 N ATOM 789 CA PRO A 56 -13.327 0.449 5.526 1.00 0.00 C ATOM 790 C PRO A 56 -13.387 -0.435 4.285 1.00 0.00 C ATOM 791 O PRO A 56 -12.810 -0.108 3.249 1.00 0.00 O ATOM 792 CB PRO A 56 -14.400 1.538 5.459 1.00 0.00 C ATOM 793 CG PRO A 56 -13.702 2.724 4.889 1.00 0.00 C ATOM 794 CD PRO A 56 -12.285 2.650 5.387 1.00 0.00 C ATOM 0 HA PRO A 56 -13.445 -0.234 6.368 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.236 1.231 4.831 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.806 1.755 6.447 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -13.734 2.709 3.800 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.180 3.650 5.209 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.581 3.051 4.658 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.152 3.221 6.306 1.00 0.00 H new ATOM 802 N GLY A 57 -14.092 -1.558 4.397 1.00 0.00 N ATOM 803 CA GLY A 57 -14.215 -2.471 3.276 1.00 0.00 C ATOM 804 C GLY A 57 -14.739 -1.790 2.028 1.00 0.00 C ATOM 805 O GLY A 57 -14.662 -2.343 0.932 1.00 0.00 O ATOM 0 H GLY A 57 -14.579 -1.851 5.244 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.242 -2.913 3.063 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.884 -3.288 3.548 1.00 0.00 H new ATOM 809 N ASN A 58 -15.277 -0.586 2.194 1.00 0.00 N ATOM 810 CA ASN A 58 -15.819 0.171 1.071 1.00 0.00 C ATOM 811 C ASN A 58 -14.730 1.003 0.400 1.00 0.00 C ATOM 812 O ASN A 58 -14.763 1.227 -0.810 1.00 0.00 O ATOM 813 CB ASN A 58 -16.954 1.082 1.544 1.00 0.00 C ATOM 814 CG ASN A 58 -16.484 2.118 2.546 1.00 0.00 C ATOM 815 OD1 ASN A 58 -15.510 2.833 2.307 1.00 0.00 O ATOM 816 ND2 ASN A 58 -17.176 2.204 3.676 1.00 0.00 N ATOM 0 H ASN A 58 -15.349 -0.114 3.095 1.00 0.00 H new ATOM 0 HA ASN A 58 -16.211 -0.538 0.342 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -17.394 1.586 0.684 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -17.740 0.475 1.994 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -16.907 2.883 4.388 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -17.976 1.591 3.832 1.00 0.00 H new ATOM 823 N ALA A 59 -13.766 1.457 1.194 1.00 0.00 N ATOM 824 CA ALA A 59 -12.666 2.261 0.676 1.00 0.00 C ATOM 825 C ALA A 59 -11.845 1.478 -0.343 1.00 0.00 C ATOM 826 O ALA A 59 -11.170 0.507 0.001 1.00 0.00 O ATOM 827 CB ALA A 59 -11.779 2.738 1.816 1.00 0.00 C ATOM 0 H ALA A 59 -13.724 1.282 2.198 1.00 0.00 H new ATOM 0 HA ALA A 59 -13.090 3.129 0.172 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -10.962 3.337 1.415 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -12.367 3.343 2.506 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -11.372 1.876 2.345 1.00 0.00 H new ATOM 833 N THR A 60 -11.907 1.905 -1.601 1.00 0.00 N ATOM 834 CA THR A 60 -11.172 1.243 -2.670 1.00 0.00 C ATOM 835 C THR A 60 -9.881 1.987 -2.993 1.00 0.00 C ATOM 836 O THR A 60 -9.337 1.860 -4.089 1.00 0.00 O ATOM 837 CB THR A 60 -12.020 1.132 -3.951 1.00 0.00 C ATOM 838 OG1 THR A 60 -12.559 2.413 -4.294 1.00 0.00 O ATOM 839 CG2 THR A 60 -13.153 0.133 -3.764 1.00 0.00 C ATOM 0 H THR A 60 -12.460 2.707 -1.904 1.00 0.00 H new ATOM 0 HA THR A 60 -10.932 0.241 -2.314 1.00 0.00 H new ATOM 0 HB THR A 60 -11.376 0.781 -4.758 1.00 0.00 H new ATOM 0 HG1 THR A 60 -13.095 2.334 -5.110 1.00 0.00 H new ATOM 0 HG21 THR A 60 -13.739 0.071 -4.681 1.00 0.00 H new ATOM 0 HG22 THR A 60 -12.739 -0.848 -3.531 1.00 0.00 H new ATOM 0 HG23 THR A 60 -13.794 0.459 -2.945 1.00 0.00 H new ATOM 847 N SER A 61 -9.395 2.764 -2.030 1.00 0.00 N ATOM 848 CA SER A 61 -8.169 3.532 -2.213 1.00 0.00 C ATOM 849 C SER A 61 -7.691 4.116 -0.887 1.00 0.00 C ATOM 850 O SER A 61 -8.483 4.639 -0.104 1.00 0.00 O ATOM 851 CB SER A 61 -8.393 4.656 -3.227 1.00 0.00 C ATOM 852 OG SER A 61 -9.549 5.410 -2.905 1.00 0.00 O ATOM 0 H SER A 61 -9.832 2.878 -1.115 1.00 0.00 H new ATOM 0 HA SER A 61 -7.400 2.858 -2.592 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.522 5.311 -3.247 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.497 4.233 -4.226 1.00 0.00 H new ATOM 0 HG SER A 61 -9.669 6.123 -3.567 1.00 0.00 H new ATOM 858 N ALA A 62 -6.388 4.022 -0.643 1.00 0.00 N ATOM 859 CA ALA A 62 -5.802 4.542 0.587 1.00 0.00 C ATOM 860 C ALA A 62 -4.431 5.157 0.324 1.00 0.00 C ATOM 861 O ALA A 62 -3.655 4.645 -0.483 1.00 0.00 O ATOM 862 CB ALA A 62 -5.696 3.438 1.629 1.00 0.00 C ATOM 0 H ALA A 62 -5.718 3.591 -1.280 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.456 5.326 0.969 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.257 3.840 2.542 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.690 3.046 1.846 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.065 2.636 1.246 1.00 0.00 H new ATOM 868 N MET A 63 -4.140 6.257 1.011 1.00 0.00 N ATOM 869 CA MET A 63 -2.862 6.940 0.852 1.00 0.00 C ATOM 870 C MET A 63 -1.825 6.390 1.826 1.00 0.00 C ATOM 871 O MET A 63 -2.161 5.654 2.755 1.00 0.00 O ATOM 872 CB MET A 63 -3.033 8.445 1.068 1.00 0.00 C ATOM 873 CG MET A 63 -3.750 9.145 -0.075 1.00 0.00 C ATOM 874 SD MET A 63 -3.250 10.868 -0.257 1.00 0.00 S ATOM 875 CE MET A 63 -1.846 10.699 -1.356 1.00 0.00 C ATOM 0 H MET A 63 -4.771 6.694 1.682 1.00 0.00 H new ATOM 0 HA MET A 63 -2.509 6.763 -0.164 1.00 0.00 H new ATOM 0 HB2 MET A 63 -3.589 8.611 1.991 1.00 0.00 H new ATOM 0 HB3 MET A 63 -2.051 8.898 1.202 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.550 8.612 -1.005 1.00 0.00 H new ATOM 0 HG3 MET A 63 -4.826 9.099 0.094 1.00 0.00 H new ATOM 0 HE1 MET A 63 -1.289 11.636 -1.381 1.00 0.00 H new ATOM 0 HE2 MET A 63 -1.197 9.900 -0.997 1.00 0.00 H new ATOM 0 HE3 MET A 63 -2.196 10.458 -2.360 1.00 0.00 H new ATOM 885 N LEU A 64 -0.565 6.750 1.609 1.00 0.00 N ATOM 886 CA LEU A 64 0.521 6.292 2.468 1.00 0.00 C ATOM 887 C LEU A 64 1.598 7.364 2.604 1.00 0.00 C ATOM 888 O LEU A 64 1.838 8.136 1.677 1.00 0.00 O ATOM 889 CB LEU A 64 1.132 5.006 1.909 1.00 0.00 C ATOM 890 CG LEU A 64 0.141 3.927 1.471 1.00 0.00 C ATOM 891 CD1 LEU A 64 0.816 2.927 0.546 1.00 0.00 C ATOM 892 CD2 LEU A 64 -0.448 3.221 2.684 1.00 0.00 C ATOM 0 H LEU A 64 -0.270 7.358 0.845 1.00 0.00 H new ATOM 0 HA LEU A 64 0.109 6.091 3.457 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.757 5.266 1.054 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.790 4.581 2.667 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.671 4.406 0.924 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.096 2.167 0.244 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.190 3.444 -0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.647 2.453 1.067 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.151 2.456 2.354 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.353 2.754 3.258 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.968 3.946 3.310 1.00 0.00 H new ATOM 904 N GLY A 65 2.244 7.403 3.765 1.00 0.00 N ATOM 905 CA GLY A 65 3.289 8.382 3.999 1.00 0.00 C ATOM 906 C GLY A 65 3.340 8.841 5.443 1.00 0.00 C ATOM 907 O GLY A 65 2.511 8.458 6.268 1.00 0.00 O ATOM 0 H GLY A 65 2.062 6.774 4.547 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.252 7.954 3.723 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.126 9.244 3.352 1.00 0.00 H new ATOM 911 N PRO A 66 4.335 9.681 5.766 1.00 0.00 N ATOM 912 CA PRO A 66 5.329 10.143 4.793 1.00 0.00 C ATOM 913 C PRO A 66 6.277 9.030 4.359 1.00 0.00 C ATOM 914 O PRO A 66 6.769 8.262 5.187 1.00 0.00 O ATOM 915 CB PRO A 66 6.092 11.230 5.553 1.00 0.00 C ATOM 916 CG PRO A 66 5.927 10.873 6.990 1.00 0.00 C ATOM 917 CD PRO A 66 4.567 10.243 7.107 1.00 0.00 C ATOM 0 HA PRO A 66 4.864 10.495 3.872 1.00 0.00 H new ATOM 0 HB2 PRO A 66 7.144 11.249 5.268 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.687 12.220 5.342 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.706 10.182 7.312 1.00 0.00 H new ATOM 0 HG3 PRO A 66 6.003 11.757 7.623 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.547 9.470 7.876 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.806 10.977 7.373 1.00 0.00 H new ATOM 925 N LEU A 67 6.531 8.949 3.058 1.00 0.00 N ATOM 926 CA LEU A 67 7.422 7.929 2.514 1.00 0.00 C ATOM 927 C LEU A 67 8.738 8.546 2.053 1.00 0.00 C ATOM 928 O LEU A 67 8.935 9.758 2.149 1.00 0.00 O ATOM 929 CB LEU A 67 6.748 7.205 1.348 1.00 0.00 C ATOM 930 CG LEU A 67 5.279 6.831 1.548 1.00 0.00 C ATOM 931 CD1 LEU A 67 4.710 6.205 0.284 1.00 0.00 C ATOM 932 CD2 LEU A 67 5.125 5.885 2.729 1.00 0.00 C ATOM 0 H LEU A 67 6.133 9.577 2.360 1.00 0.00 H new ATOM 0 HA LEU A 67 7.637 7.210 3.304 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.824 7.836 0.462 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.309 6.294 1.139 1.00 0.00 H new ATOM 0 HG LEU A 67 4.719 7.741 1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.664 5.946 0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.785 6.915 -0.539 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.273 5.305 0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.073 5.630 2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.699 4.977 2.545 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.493 6.369 3.634 1.00 0.00 H new ATOM 944 N SER A 68 9.635 7.705 1.549 1.00 0.00 N ATOM 945 CA SER A 68 10.934 8.168 1.073 1.00 0.00 C ATOM 946 C SER A 68 10.895 8.447 -0.426 1.00 0.00 C ATOM 947 O SER A 68 9.862 8.279 -1.073 1.00 0.00 O ATOM 948 CB SER A 68 12.014 7.129 1.383 1.00 0.00 C ATOM 949 OG SER A 68 13.286 7.739 1.515 1.00 0.00 O ATOM 0 H SER A 68 9.487 6.700 1.460 1.00 0.00 H new ATOM 0 HA SER A 68 11.174 9.096 1.591 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.763 6.602 2.304 1.00 0.00 H new ATOM 0 HB3 SER A 68 12.045 6.384 0.588 1.00 0.00 H new ATOM 0 HG SER A 68 13.958 7.054 1.715 1.00 0.00 H new ATOM 955 N SER A 69 12.030 8.875 -0.971 1.00 0.00 N ATOM 956 CA SER A 69 12.126 9.182 -2.393 1.00 0.00 C ATOM 957 C SER A 69 13.007 8.163 -3.110 1.00 0.00 C ATOM 958 O SER A 69 13.956 7.632 -2.534 1.00 0.00 O ATOM 959 CB SER A 69 12.687 10.591 -2.596 1.00 0.00 C ATOM 960 OG SER A 69 13.884 10.774 -1.859 1.00 0.00 O ATOM 0 H SER A 69 12.895 9.017 -0.449 1.00 0.00 H new ATOM 0 HA SER A 69 11.124 9.133 -2.819 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.879 10.760 -3.656 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.948 11.329 -2.284 1.00 0.00 H new ATOM 0 HG SER A 69 14.461 11.415 -2.325 1.00 0.00 H new ATOM 966 N SER A 70 12.685 7.896 -4.372 1.00 0.00 N ATOM 967 CA SER A 70 13.444 6.938 -5.168 1.00 0.00 C ATOM 968 C SER A 70 13.591 5.612 -4.428 1.00 0.00 C ATOM 969 O SER A 70 14.552 4.872 -4.640 1.00 0.00 O ATOM 970 CB SER A 70 14.825 7.504 -5.505 1.00 0.00 C ATOM 971 OG SER A 70 15.586 6.576 -6.258 1.00 0.00 O ATOM 0 H SER A 70 11.904 8.329 -4.865 1.00 0.00 H new ATOM 0 HA SER A 70 12.897 6.758 -6.094 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.714 8.430 -6.068 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.354 7.752 -4.585 1.00 0.00 H new ATOM 0 HG SER A 70 15.655 5.732 -5.764 1.00 0.00 H new ATOM 977 N THR A 71 12.630 5.318 -3.558 1.00 0.00 N ATOM 978 CA THR A 71 12.652 4.083 -2.785 1.00 0.00 C ATOM 979 C THR A 71 11.394 3.258 -3.031 1.00 0.00 C ATOM 980 O THR A 71 10.276 3.761 -2.915 1.00 0.00 O ATOM 981 CB THR A 71 12.779 4.366 -1.276 1.00 0.00 C ATOM 982 OG1 THR A 71 13.995 5.074 -1.012 1.00 0.00 O ATOM 983 CG2 THR A 71 12.756 3.072 -0.478 1.00 0.00 C ATOM 0 H THR A 71 11.827 5.918 -3.371 1.00 0.00 H new ATOM 0 HA THR A 71 13.524 3.519 -3.116 1.00 0.00 H new ATOM 0 HB THR A 71 11.929 4.977 -0.971 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.996 5.919 -1.509 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.847 3.298 0.584 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.816 2.550 -0.659 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.588 2.439 -0.787 1.00 0.00 H new ATOM 991 N THR A 72 11.582 1.986 -3.371 1.00 0.00 N ATOM 992 CA THR A 72 10.462 1.092 -3.633 1.00 0.00 C ATOM 993 C THR A 72 9.843 0.589 -2.334 1.00 0.00 C ATOM 994 O THR A 72 10.500 -0.087 -1.542 1.00 0.00 O ATOM 995 CB THR A 72 10.897 -0.118 -4.483 1.00 0.00 C ATOM 996 OG1 THR A 72 11.651 0.325 -5.616 1.00 0.00 O ATOM 997 CG2 THR A 72 9.687 -0.913 -4.951 1.00 0.00 C ATOM 0 H THR A 72 12.500 1.553 -3.471 1.00 0.00 H new ATOM 0 HA THR A 72 9.720 1.669 -4.186 1.00 0.00 H new ATOM 0 HB THR A 72 11.519 -0.764 -3.864 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.059 0.795 -6.240 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.019 -1.762 -5.549 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.132 -1.274 -4.085 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.043 -0.274 -5.555 1.00 0.00 H new ATOM 1005 N TYR A 73 8.575 0.923 -2.121 1.00 0.00 N ATOM 1006 CA TYR A 73 7.867 0.507 -0.916 1.00 0.00 C ATOM 1007 C TYR A 73 6.876 -0.611 -1.224 1.00 0.00 C ATOM 1008 O TYR A 73 5.938 -0.429 -2.001 1.00 0.00 O ATOM 1009 CB TYR A 73 7.134 1.696 -0.293 1.00 0.00 C ATOM 1010 CG TYR A 73 7.996 2.521 0.636 1.00 0.00 C ATOM 1011 CD1 TYR A 73 8.849 3.499 0.139 1.00 0.00 C ATOM 1012 CD2 TYR A 73 7.959 2.321 2.010 1.00 0.00 C ATOM 1013 CE1 TYR A 73 9.639 4.254 0.983 1.00 0.00 C ATOM 1014 CE2 TYR A 73 8.745 3.072 2.862 1.00 0.00 C ATOM 1015 CZ TYR A 73 9.583 4.038 2.344 1.00 0.00 C ATOM 1016 OH TYR A 73 10.368 4.787 3.190 1.00 0.00 O ATOM 0 H TYR A 73 8.016 1.481 -2.767 1.00 0.00 H new ATOM 0 HA TYR A 73 8.603 0.130 -0.206 1.00 0.00 H new ATOM 0 HB2 TYR A 73 6.757 2.337 -1.090 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.268 1.330 0.258 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.895 3.672 -0.926 1.00 0.00 H new ATOM 0 HD2 TYR A 73 7.305 1.565 2.419 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.297 5.009 0.580 1.00 0.00 H new ATOM 0 HE2 TYR A 73 8.704 2.904 3.928 1.00 0.00 H new ATOM 0 HH TYR A 73 10.208 4.510 4.116 1.00 0.00 H new ATOM 1026 N THR A 74 7.091 -1.770 -0.610 1.00 0.00 N ATOM 1027 CA THR A 74 6.219 -2.919 -0.818 1.00 0.00 C ATOM 1028 C THR A 74 4.921 -2.774 -0.031 1.00 0.00 C ATOM 1029 O THR A 74 4.888 -2.998 1.178 1.00 0.00 O ATOM 1030 CB THR A 74 6.911 -4.232 -0.406 1.00 0.00 C ATOM 1031 OG1 THR A 74 8.179 -4.344 -1.062 1.00 0.00 O ATOM 1032 CG2 THR A 74 6.045 -5.433 -0.755 1.00 0.00 C ATOM 0 H THR A 74 7.862 -1.938 0.036 1.00 0.00 H new ATOM 0 HA THR A 74 5.993 -2.955 -1.884 1.00 0.00 H new ATOM 0 HB THR A 74 7.061 -4.215 0.673 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.613 -5.180 -0.794 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.555 -6.349 -0.455 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.092 -5.359 -0.231 1.00 0.00 H new ATOM 0 HG23 THR A 74 5.867 -5.453 -1.830 1.00 0.00 H new ATOM 1040 N VAL A 75 3.853 -2.397 -0.726 1.00 0.00 N ATOM 1041 CA VAL A 75 2.551 -2.223 -0.093 1.00 0.00 C ATOM 1042 C VAL A 75 1.814 -3.553 0.022 1.00 0.00 C ATOM 1043 O VAL A 75 2.008 -4.454 -0.794 1.00 0.00 O ATOM 1044 CB VAL A 75 1.674 -1.228 -0.876 1.00 0.00 C ATOM 1045 CG1 VAL A 75 0.268 -1.186 -0.298 1.00 0.00 C ATOM 1046 CG2 VAL A 75 2.304 0.157 -0.869 1.00 0.00 C ATOM 0 H VAL A 75 3.864 -2.206 -1.728 1.00 0.00 H new ATOM 0 HA VAL A 75 2.735 -1.825 0.905 1.00 0.00 H new ATOM 0 HB VAL A 75 1.606 -1.566 -1.910 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.337 -0.478 -0.864 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.181 -2.177 -0.360 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.313 -0.873 0.745 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.671 0.847 -1.427 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.404 0.506 0.159 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.289 0.111 -1.334 1.00 0.00 H new ATOM 1056 N ARG A 76 0.967 -3.667 1.039 1.00 0.00 N ATOM 1057 CA ARG A 76 0.200 -4.888 1.261 1.00 0.00 C ATOM 1058 C ARG A 76 -1.198 -4.564 1.780 1.00 0.00 C ATOM 1059 O ARG A 76 -1.371 -4.204 2.944 1.00 0.00 O ATOM 1060 CB ARG A 76 0.927 -5.798 2.253 1.00 0.00 C ATOM 1061 CG ARG A 76 0.647 -7.277 2.041 1.00 0.00 C ATOM 1062 CD ARG A 76 1.707 -8.145 2.701 1.00 0.00 C ATOM 1063 NE ARG A 76 1.319 -9.552 2.733 1.00 0.00 N ATOM 1064 CZ ARG A 76 1.961 -10.476 3.439 1.00 0.00 C ATOM 1065 NH1 ARG A 76 3.017 -10.141 4.168 1.00 0.00 N ATOM 1066 NH2 ARG A 76 1.548 -11.736 3.418 1.00 0.00 N ATOM 0 H ARG A 76 0.794 -2.930 1.722 1.00 0.00 H new ATOM 0 HA ARG A 76 0.103 -5.406 0.307 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.000 -5.625 2.173 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.635 -5.523 3.267 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.333 -7.525 2.448 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.612 -7.492 0.973 1.00 0.00 H new ATOM 0 HD2 ARG A 76 2.648 -8.041 2.162 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.882 -7.794 3.718 1.00 0.00 H new ATOM 0 HE ARG A 76 0.510 -9.841 2.183 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.337 -9.173 4.187 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.509 -10.852 4.710 1.00 0.00 H new ATOM 0 HH21 ARG A 76 0.736 -11.997 2.859 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.043 -12.444 3.961 1.00 0.00 H new ATOM 1080 N VAL A 77 -2.192 -4.696 0.908 1.00 0.00 N ATOM 1081 CA VAL A 77 -3.575 -4.419 1.278 1.00 0.00 C ATOM 1082 C VAL A 77 -4.284 -5.685 1.744 1.00 0.00 C ATOM 1083 O VAL A 77 -4.786 -6.464 0.932 1.00 0.00 O ATOM 1084 CB VAL A 77 -4.359 -3.808 0.101 1.00 0.00 C ATOM 1085 CG1 VAL A 77 -5.790 -3.502 0.514 1.00 0.00 C ATOM 1086 CG2 VAL A 77 -3.663 -2.555 -0.410 1.00 0.00 C ATOM 0 H VAL A 77 -2.066 -4.993 -0.060 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.545 -3.701 2.097 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.388 -4.536 -0.710 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.328 -3.071 -0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.283 -4.422 0.827 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.786 -2.793 1.342 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.231 -2.137 -1.241 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.601 -1.820 0.393 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.658 -2.809 -0.748 1.00 0.00 H new ATOM 1096 N THR A 78 -4.322 -5.886 3.057 1.00 0.00 N ATOM 1097 CA THR A 78 -4.969 -7.059 3.633 1.00 0.00 C ATOM 1098 C THR A 78 -6.427 -6.772 3.970 1.00 0.00 C ATOM 1099 O THR A 78 -6.723 -5.969 4.856 1.00 0.00 O ATOM 1100 CB THR A 78 -4.242 -7.533 4.905 1.00 0.00 C ATOM 1101 OG1 THR A 78 -2.853 -7.743 4.627 1.00 0.00 O ATOM 1102 CG2 THR A 78 -4.859 -8.820 5.433 1.00 0.00 C ATOM 0 H THR A 78 -3.912 -5.251 3.742 1.00 0.00 H new ATOM 0 HA THR A 78 -4.922 -7.848 2.882 1.00 0.00 H new ATOM 0 HB THR A 78 -4.346 -6.759 5.666 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.398 -8.043 5.442 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.329 -9.136 6.332 1.00 0.00 H new ATOM 0 HG22 THR A 78 -5.909 -8.649 5.672 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.782 -9.599 4.674 1.00 0.00 H new ATOM 1110 N CYS A 79 -7.335 -7.434 3.261 1.00 0.00 N ATOM 1111 CA CYS A 79 -8.764 -7.249 3.486 1.00 0.00 C ATOM 1112 C CYS A 79 -9.297 -8.283 4.474 1.00 0.00 C ATOM 1113 O CYS A 79 -9.361 -9.474 4.167 1.00 0.00 O ATOM 1114 CB CYS A 79 -9.527 -7.348 2.165 1.00 0.00 C ATOM 1115 SG CYS A 79 -9.468 -5.844 1.164 1.00 0.00 S ATOM 0 H CYS A 79 -7.107 -8.103 2.526 1.00 0.00 H new ATOM 0 HA CYS A 79 -8.914 -6.256 3.910 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -9.119 -8.175 1.583 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -10.568 -7.590 2.377 1.00 0.00 H new ATOM 0 HG CYS A 79 -10.140 -6.027 0.066 1.00 0.00 H new ATOM 1121 N LEU A 80 -9.676 -7.820 5.660 1.00 0.00 N ATOM 1122 CA LEU A 80 -10.201 -8.705 6.694 1.00 0.00 C ATOM 1123 C LEU A 80 -11.699 -8.927 6.510 1.00 0.00 C ATOM 1124 O LEU A 80 -12.504 -8.026 6.748 1.00 0.00 O ATOM 1125 CB LEU A 80 -9.927 -8.120 8.080 1.00 0.00 C ATOM 1126 CG LEU A 80 -8.581 -8.484 8.708 1.00 0.00 C ATOM 1127 CD1 LEU A 80 -8.349 -9.986 8.640 1.00 0.00 C ATOM 1128 CD2 LEU A 80 -7.451 -7.736 8.017 1.00 0.00 C ATOM 0 H LEU A 80 -9.630 -6.837 5.930 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.696 -9.667 6.606 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.992 -7.034 8.013 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -10.720 -8.446 8.753 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.599 -8.187 9.757 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.386 -10.226 9.092 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.142 -10.502 9.181 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.352 -10.308 7.599 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.501 -8.007 8.477 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.432 -8.002 6.960 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.610 -6.662 8.118 1.00 0.00 H new ATOM 1140 N TYR A 81 -12.066 -10.132 6.088 1.00 0.00 N ATOM 1141 CA TYR A 81 -13.467 -10.473 5.873 1.00 0.00 C ATOM 1142 C TYR A 81 -14.174 -10.735 7.199 1.00 0.00 C ATOM 1143 O TYR A 81 -13.583 -11.225 8.161 1.00 0.00 O ATOM 1144 CB TYR A 81 -13.582 -11.701 4.969 1.00 0.00 C ATOM 1145 CG TYR A 81 -12.864 -11.550 3.647 1.00 0.00 C ATOM 1146 CD1 TYR A 81 -13.193 -10.525 2.769 1.00 0.00 C ATOM 1147 CD2 TYR A 81 -11.856 -12.432 3.277 1.00 0.00 C ATOM 1148 CE1 TYR A 81 -12.540 -10.383 1.560 1.00 0.00 C ATOM 1149 CE2 TYR A 81 -11.197 -12.297 2.070 1.00 0.00 C ATOM 1150 CZ TYR A 81 -11.543 -11.271 1.215 1.00 0.00 C ATOM 1151 OH TYR A 81 -10.889 -11.133 0.012 1.00 0.00 O ATOM 0 H TYR A 81 -11.412 -10.889 5.888 1.00 0.00 H new ATOM 0 HA TYR A 81 -13.950 -9.626 5.386 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -13.180 -12.567 5.494 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -14.636 -11.904 4.779 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -13.973 -9.827 3.036 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -11.583 -13.236 3.944 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -12.809 -9.581 0.889 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -10.415 -12.991 1.797 1.00 0.00 H new ATOM 0 HH TYR A 81 -10.870 -10.187 -0.243 1.00 0.00 H new ATOM 1161 N PRO A 82 -15.472 -10.401 7.253 1.00 0.00 N ATOM 1162 CA PRO A 82 -16.290 -10.592 8.454 1.00 0.00 C ATOM 1163 C PRO A 82 -16.556 -12.065 8.747 1.00 0.00 C ATOM 1164 O PRO A 82 -16.937 -12.428 9.858 1.00 0.00 O ATOM 1165 CB PRO A 82 -17.596 -9.871 8.113 1.00 0.00 C ATOM 1166 CG PRO A 82 -17.664 -9.894 6.625 1.00 0.00 C ATOM 1167 CD PRO A 82 -16.242 -9.812 6.144 1.00 0.00 C ATOM 0 HA PRO A 82 -15.796 -10.209 9.347 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -18.454 -10.376 8.556 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -17.595 -8.850 8.494 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -18.144 -10.806 6.270 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -18.252 -9.057 6.248 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -16.099 -10.366 5.217 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -15.942 -8.782 5.949 1.00 0.00 H new ATOM 1207 N SER A 87 -7.898 -12.040 2.582 1.00 0.00 N ATOM 1208 CA SER A 87 -7.084 -11.932 1.377 1.00 0.00 C ATOM 1209 C SER A 87 -5.958 -10.921 1.571 1.00 0.00 C ATOM 1210 O SER A 87 -5.864 -10.270 2.613 1.00 0.00 O ATOM 1211 CB SER A 87 -7.952 -11.522 0.185 1.00 0.00 C ATOM 1212 OG SER A 87 -7.229 -11.620 -1.029 1.00 0.00 O ATOM 0 HA SER A 87 -6.642 -12.908 1.178 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.835 -12.159 0.138 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.303 -10.499 0.321 1.00 0.00 H new ATOM 0 HG SER A 87 -6.684 -12.434 -1.020 1.00 0.00 H new ATOM 1218 N THR A 88 -5.104 -10.794 0.561 1.00 0.00 N ATOM 1219 CA THR A 88 -3.983 -9.864 0.619 1.00 0.00 C ATOM 1220 C THR A 88 -3.494 -9.505 -0.779 1.00 0.00 C ATOM 1221 O THR A 88 -3.332 -10.376 -1.635 1.00 0.00 O ATOM 1222 CB THR A 88 -2.809 -10.450 1.426 1.00 0.00 C ATOM 1223 OG1 THR A 88 -3.236 -10.757 2.758 1.00 0.00 O ATOM 1224 CG2 THR A 88 -1.644 -9.472 1.474 1.00 0.00 C ATOM 0 H THR A 88 -5.167 -11.324 -0.308 1.00 0.00 H new ATOM 0 HA THR A 88 -4.344 -8.964 1.117 1.00 0.00 H new ATOM 0 HB THR A 88 -2.476 -11.363 0.932 1.00 0.00 H new ATOM 0 HG1 THR A 88 -4.075 -10.287 2.949 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.827 -9.907 2.049 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.303 -9.262 0.460 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.967 -8.545 1.947 1.00 0.00 H new ATOM 1232 N LEU A 89 -3.259 -8.217 -1.006 1.00 0.00 N ATOM 1233 CA LEU A 89 -2.786 -7.742 -2.301 1.00 0.00 C ATOM 1234 C LEU A 89 -1.433 -7.050 -2.167 1.00 0.00 C ATOM 1235 O LEU A 89 -1.326 -5.981 -1.565 1.00 0.00 O ATOM 1236 CB LEU A 89 -3.805 -6.780 -2.916 1.00 0.00 C ATOM 1237 CG LEU A 89 -4.917 -7.421 -3.746 1.00 0.00 C ATOM 1238 CD1 LEU A 89 -5.990 -6.397 -4.083 1.00 0.00 C ATOM 1239 CD2 LEU A 89 -4.348 -8.037 -5.016 1.00 0.00 C ATOM 0 H LEU A 89 -3.388 -7.483 -0.310 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.668 -8.605 -2.956 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.265 -6.206 -2.111 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.270 -6.071 -3.548 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.374 -8.214 -3.154 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -6.773 -6.872 -4.674 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.419 -6.003 -3.162 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.548 -5.581 -4.655 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.154 -8.489 -5.594 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.865 -7.262 -5.611 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.617 -8.802 -4.754 1.00 0.00 H new ATOM 1251 N THR A 90 -0.401 -7.666 -2.735 1.00 0.00 N ATOM 1252 CA THR A 90 0.945 -7.110 -2.680 1.00 0.00 C ATOM 1253 C THR A 90 1.229 -6.237 -3.897 1.00 0.00 C ATOM 1254 O THR A 90 0.844 -6.571 -5.017 1.00 0.00 O ATOM 1255 CB THR A 90 2.009 -8.221 -2.600 1.00 0.00 C ATOM 1256 OG1 THR A 90 1.956 -9.036 -3.776 1.00 0.00 O ATOM 1257 CG2 THR A 90 1.796 -9.086 -1.367 1.00 0.00 C ATOM 0 H THR A 90 -0.472 -8.550 -3.238 1.00 0.00 H new ATOM 0 HA THR A 90 0.999 -6.500 -1.778 1.00 0.00 H new ATOM 0 HB THR A 90 2.990 -7.750 -2.529 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.637 -9.739 -3.718 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.559 -9.864 -1.332 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.866 -8.468 -0.472 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.810 -9.548 -1.412 1.00 0.00 H new ATOM 1265 N GLY A 91 1.908 -5.116 -3.671 1.00 0.00 N ATOM 1266 CA GLY A 91 2.232 -4.212 -4.759 1.00 0.00 C ATOM 1267 C GLY A 91 3.349 -3.252 -4.401 1.00 0.00 C ATOM 1268 O GLY A 91 3.333 -2.640 -3.333 1.00 0.00 O ATOM 0 H GLY A 91 2.239 -4.818 -2.754 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.522 -4.792 -5.635 1.00 0.00 H new ATOM 0 HA3 GLY A 91 1.343 -3.644 -5.033 1.00 0.00 H new ATOM 1272 N ARG A 92 4.323 -3.120 -5.296 1.00 0.00 N ATOM 1273 CA ARG A 92 5.455 -2.230 -5.068 1.00 0.00 C ATOM 1274 C ARG A 92 5.243 -0.891 -5.768 1.00 0.00 C ATOM 1275 O ARG A 92 4.768 -0.840 -6.903 1.00 0.00 O ATOM 1276 CB ARG A 92 6.749 -2.877 -5.564 1.00 0.00 C ATOM 1277 CG ARG A 92 7.463 -3.702 -4.505 1.00 0.00 C ATOM 1278 CD ARG A 92 8.389 -4.732 -5.132 1.00 0.00 C ATOM 1279 NE ARG A 92 9.197 -4.160 -6.206 1.00 0.00 N ATOM 1280 CZ ARG A 92 9.821 -4.890 -7.124 1.00 0.00 C ATOM 1281 NH1 ARG A 92 9.730 -6.212 -7.099 1.00 0.00 N ATOM 1282 NH2 ARG A 92 10.537 -4.296 -8.071 1.00 0.00 N ATOM 0 H ARG A 92 4.351 -3.618 -6.186 1.00 0.00 H new ATOM 0 HA ARG A 92 5.534 -2.052 -3.996 1.00 0.00 H new ATOM 0 HB2 ARG A 92 6.522 -3.516 -6.418 1.00 0.00 H new ATOM 0 HB3 ARG A 92 7.422 -2.097 -5.920 1.00 0.00 H new ATOM 0 HG2 ARG A 92 8.038 -3.042 -3.855 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.728 -4.206 -3.878 1.00 0.00 H new ATOM 0 HD2 ARG A 92 9.045 -5.144 -4.365 1.00 0.00 H new ATOM 0 HD3 ARG A 92 7.798 -5.560 -5.524 1.00 0.00 H new ATOM 0 HE ARG A 92 9.287 -3.145 -6.254 1.00 0.00 H new ATOM 0 HH11 ARG A 92 9.180 -6.672 -6.374 1.00 0.00 H new ATOM 0 HH12 ARG A 92 10.210 -6.770 -7.805 1.00 0.00 H new ATOM 0 HH21 ARG A 92 10.608 -3.279 -8.094 1.00 0.00 H new ATOM 0 HH22 ARG A 92 11.016 -4.857 -8.776 1.00 0.00 H new ATOM 1296 N VAL A 93 5.596 0.192 -5.083 1.00 0.00 N ATOM 1297 CA VAL A 93 5.445 1.532 -5.638 1.00 0.00 C ATOM 1298 C VAL A 93 6.706 2.361 -5.423 1.00 0.00 C ATOM 1299 O VAL A 93 7.060 2.693 -4.291 1.00 0.00 O ATOM 1300 CB VAL A 93 4.246 2.267 -5.011 1.00 0.00 C ATOM 1301 CG1 VAL A 93 4.296 2.173 -3.494 1.00 0.00 C ATOM 1302 CG2 VAL A 93 4.218 3.720 -5.462 1.00 0.00 C ATOM 0 H VAL A 93 5.989 0.168 -4.142 1.00 0.00 H new ATOM 0 HA VAL A 93 5.270 1.414 -6.707 1.00 0.00 H new ATOM 0 HB VAL A 93 3.329 1.786 -5.351 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.441 2.698 -3.069 1.00 0.00 H new ATOM 0 HG12 VAL A 93 4.265 1.126 -3.193 1.00 0.00 H new ATOM 0 HG13 VAL A 93 5.218 2.628 -3.131 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.364 4.225 -5.010 1.00 0.00 H new ATOM 0 HG22 VAL A 93 5.138 4.215 -5.152 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.131 3.762 -6.548 1.00 0.00 H new ATOM 1312 N THR A 94 7.383 2.695 -6.518 1.00 0.00 N ATOM 1313 CA THR A 94 8.605 3.486 -6.449 1.00 0.00 C ATOM 1314 C THR A 94 8.292 4.967 -6.274 1.00 0.00 C ATOM 1315 O THR A 94 7.816 5.627 -7.199 1.00 0.00 O ATOM 1316 CB THR A 94 9.465 3.301 -7.714 1.00 0.00 C ATOM 1317 OG1 THR A 94 9.785 1.916 -7.891 1.00 0.00 O ATOM 1318 CG2 THR A 94 10.747 4.114 -7.620 1.00 0.00 C ATOM 0 H THR A 94 7.105 2.430 -7.463 1.00 0.00 H new ATOM 0 HA THR A 94 9.163 3.131 -5.583 1.00 0.00 H new ATOM 0 HB THR A 94 8.891 3.654 -8.571 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.330 1.807 -8.698 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.338 3.968 -8.524 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.501 5.171 -7.515 1.00 0.00 H new ATOM 0 HG23 THR A 94 11.322 3.787 -6.754 1.00 0.00 H new ATOM 1326 N THR A 95 8.563 5.487 -5.080 1.00 0.00 N ATOM 1327 CA THR A 95 8.310 6.892 -4.783 1.00 0.00 C ATOM 1328 C THR A 95 9.132 7.802 -5.689 1.00 0.00 C ATOM 1329 O THR A 95 10.239 7.452 -6.099 1.00 0.00 O ATOM 1330 CB THR A 95 8.633 7.222 -3.314 1.00 0.00 C ATOM 1331 OG1 THR A 95 9.806 6.513 -2.898 1.00 0.00 O ATOM 1332 CG2 THR A 95 7.466 6.857 -2.408 1.00 0.00 C ATOM 0 H THR A 95 8.958 4.956 -4.303 1.00 0.00 H new ATOM 0 HA THR A 95 7.249 7.067 -4.962 1.00 0.00 H new ATOM 0 HB THR A 95 8.811 8.295 -3.237 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.010 6.736 -1.966 1.00 0.00 H new ATOM 0 HG21 THR A 95 7.717 7.099 -1.375 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.582 7.420 -2.708 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.261 5.790 -2.491 1.00 0.00 H new ATOM 1340 N LYS A 96 8.584 8.972 -5.997 1.00 0.00 N ATOM 1341 CA LYS A 96 9.267 9.935 -6.854 1.00 0.00 C ATOM 1342 C LYS A 96 10.520 10.475 -6.173 1.00 0.00 C ATOM 1343 O LYS A 96 10.716 10.291 -4.972 1.00 0.00 O ATOM 1344 CB LYS A 96 8.327 11.091 -7.207 1.00 0.00 C ATOM 1345 CG LYS A 96 6.978 10.637 -7.737 1.00 0.00 C ATOM 1346 CD LYS A 96 6.330 11.707 -8.600 1.00 0.00 C ATOM 1347 CE LYS A 96 5.341 11.104 -9.586 1.00 0.00 C ATOM 1348 NZ LYS A 96 4.329 12.100 -10.035 1.00 0.00 N ATOM 0 H LYS A 96 7.669 9.277 -5.666 1.00 0.00 H new ATOM 0 HA LYS A 96 9.564 9.423 -7.770 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.172 11.706 -6.320 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.807 11.724 -7.953 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.103 9.724 -8.320 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.321 10.394 -6.902 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.817 12.428 -7.964 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.101 12.253 -9.144 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.880 10.719 -10.451 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.836 10.257 -9.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 3.673 11.651 -10.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 3.797 12.449 -9.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 4.809 12.897 -10.501 1.00 0.00 H new ATOM 1362 N LYS A 97 11.367 11.145 -6.948 1.00 0.00 N ATOM 1363 CA LYS A 97 12.601 11.715 -6.420 1.00 0.00 C ATOM 1364 C LYS A 97 12.312 12.958 -5.585 1.00 0.00 C ATOM 1365 O LYS A 97 11.368 13.697 -5.861 1.00 0.00 O ATOM 1366 CB LYS A 97 13.555 12.066 -7.564 1.00 0.00 C ATOM 1367 CG LYS A 97 14.449 10.913 -7.987 1.00 0.00 C ATOM 1368 CD LYS A 97 13.646 9.788 -8.619 1.00 0.00 C ATOM 1369 CE LYS A 97 13.516 9.972 -10.123 1.00 0.00 C ATOM 1370 NZ LYS A 97 12.326 10.793 -10.480 1.00 0.00 N ATOM 0 H LYS A 97 11.221 11.306 -7.944 1.00 0.00 H new ATOM 0 HA LYS A 97 13.071 10.970 -5.779 1.00 0.00 H new ATOM 0 HB2 LYS A 97 12.972 12.397 -8.423 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.179 12.906 -7.260 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.196 11.271 -8.696 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.989 10.533 -7.120 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.128 8.833 -8.409 1.00 0.00 H new ATOM 0 HD3 LYS A 97 12.654 9.750 -8.169 1.00 0.00 H new ATOM 0 HE2 LYS A 97 14.416 10.450 -10.510 1.00 0.00 H new ATOM 0 HE3 LYS A 97 13.442 8.996 -10.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 12.000 10.536 -11.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 11.564 10.616 -9.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 12.581 11.801 -10.461 1.00 0.00 H new ATOM 1384 N ALA A 98 13.132 13.182 -4.564 1.00 0.00 N ATOM 1385 CA ALA A 98 12.967 14.338 -3.691 1.00 0.00 C ATOM 1386 C ALA A 98 13.834 15.504 -4.153 1.00 0.00 C ATOM 1387 O ALA A 98 14.944 15.324 -4.652 1.00 0.00 O ATOM 1388 CB ALA A 98 13.302 13.966 -2.254 1.00 0.00 C ATOM 0 H ALA A 98 13.917 12.578 -4.321 1.00 0.00 H new ATOM 0 HA ALA A 98 11.925 14.653 -3.740 1.00 0.00 H new ATOM 0 HB1 ALA A 98 13.175 14.838 -1.613 1.00 0.00 H new ATOM 0 HB2 ALA A 98 12.637 13.170 -1.920 1.00 0.00 H new ATOM 0 HB3 ALA A 98 14.335 13.623 -2.198 1.00 0.00 H new