USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 822 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 67 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 68 ASN : amide:sc= 0.952 K(o=0.95,f=-3.5!) USER MOD Set 2.1: A 37 CYS SG : rot -44:sc= -0.376 USER MOD Set 2.2: A 40 CYS SG : rot 76:sc= 0.254 USER MOD Set 3.1: A 35 THR OG1 : rot 180:sc= 0.559 USER MOD Set 3.2: A 41 LYS NZ :NH3+ 170:sc= 0.614 (180deg=0) USER MOD Set 4.1: A 26 LYS NZ :NH3+ -168:sc= 1.26 (180deg=0.553) USER MOD Set 4.2: A 59 THR OG1 : rot 180:sc= 0.471 USER MOD Set 5.1: A 13 THR OG1 : rot 180:sc= 0.858 USER MOD Set 5.2: A 16 SER OG : rot -79:sc= 1.54 USER MOD Single : A 9 THR OG1 : rot -24:sc= 0.136 USER MOD Single : A 11 LYS NZ :NH3+ 168:sc= 1.23 (180deg=1.11) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.00403 USER MOD Single : A 23 SER OG : rot -159:sc= 0.581 USER MOD Single : A 24 SER OG : rot -117:sc= 1.26 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 81:sc= 0.887 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -167:sc= 1.57 (180deg=1.32) USER MOD Single : A 71 THR OG1 : rot -37:sc= 0.476 USER MOD Single : A 74 ASN : amide:sc= 0.342 X(o=0.34,f=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 110:sc= 1.24 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0.758 K(o=0.76,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 178:sc= 1.24 (180deg=1.21) USER MOD Single : A 99 LYS NZ :NH3+ 179:sc= 1.29 (180deg=1.23) USER MOD Single : A 101 LYS NZ :NH3+ 166:sc= 2.43 (180deg=2.31) USER MOD Single : A 109 SER OG : rot 47:sc= 0.886 USER MOD ----------------------------------------------------------------- ATOM 114 N THR A 9 3.742 -1.083 10.034 1.00 0.00 N ATOM 115 CA THR A 9 2.638 -1.339 9.084 1.00 0.00 C ATOM 116 C THR A 9 1.281 -1.514 9.780 1.00 0.00 C ATOM 117 O THR A 9 1.205 -1.979 10.921 1.00 0.00 O ATOM 118 CB THR A 9 2.922 -2.562 8.194 1.00 0.00 C ATOM 119 OG1 THR A 9 3.304 -3.685 8.962 1.00 0.00 O ATOM 120 CG2 THR A 9 4.059 -2.291 7.209 1.00 0.00 C ATOM 0 HA THR A 9 2.581 -0.449 8.458 1.00 0.00 H new ATOM 0 HB THR A 9 1.993 -2.760 7.659 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.677 -3.385 9.817 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.230 -3.177 6.598 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.791 -1.453 6.566 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.968 -2.049 7.760 1.00 0.00 H new ATOM 128 N ILE A 10 0.200 -1.178 9.070 1.00 0.00 N ATOM 129 CA ILE A 10 -1.208 -1.310 9.506 1.00 0.00 C ATOM 130 C ILE A 10 -2.075 -1.961 8.415 1.00 0.00 C ATOM 131 O ILE A 10 -1.663 -2.033 7.258 1.00 0.00 O ATOM 132 CB ILE A 10 -1.791 0.058 9.942 1.00 0.00 C ATOM 133 CG1 ILE A 10 -1.680 1.126 8.830 1.00 0.00 C ATOM 134 CG2 ILE A 10 -1.122 0.523 11.247 1.00 0.00 C ATOM 135 CD1 ILE A 10 -2.383 2.443 9.166 1.00 0.00 C ATOM 0 H ILE A 10 0.278 -0.788 8.131 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.222 -1.969 10.374 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.857 -0.075 10.126 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.626 1.327 8.636 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.103 0.724 7.909 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.538 1.485 11.546 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.305 -0.211 12.032 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.048 0.625 11.089 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.261 3.142 8.338 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.444 2.257 9.331 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.945 2.869 10.068 1.00 0.00 H new ATOM 147 N LYS A 11 -3.287 -2.419 8.758 1.00 0.00 N ATOM 148 CA LYS A 11 -4.295 -2.893 7.785 1.00 0.00 C ATOM 149 C LYS A 11 -5.563 -2.030 7.814 1.00 0.00 C ATOM 150 O LYS A 11 -5.964 -1.547 8.875 1.00 0.00 O ATOM 151 CB LYS A 11 -4.617 -4.388 7.972 1.00 0.00 C ATOM 152 CG LYS A 11 -3.365 -5.284 8.076 1.00 0.00 C ATOM 153 CD LYS A 11 -3.597 -6.725 7.597 1.00 0.00 C ATOM 154 CE LYS A 11 -4.786 -7.409 8.286 1.00 0.00 C ATOM 155 NZ LYS A 11 -5.016 -8.776 7.751 1.00 0.00 N ATOM 0 H LYS A 11 -3.603 -2.473 9.726 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.855 -2.785 6.794 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.217 -4.511 8.874 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.227 -4.727 7.134 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.561 -4.840 7.489 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.029 -5.305 9.113 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.764 -6.720 6.520 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.695 -7.310 7.777 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.603 -7.464 9.359 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.684 -6.807 8.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.684 -9.282 8.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.411 -8.711 6.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.114 -9.293 7.720 1.00 0.00 H new ATOM 169 N VAL A 12 -6.186 -1.849 6.650 1.00 0.00 N ATOM 170 CA VAL A 12 -7.427 -1.081 6.433 1.00 0.00 C ATOM 171 C VAL A 12 -8.464 -1.917 5.668 1.00 0.00 C ATOM 172 O VAL A 12 -8.124 -2.873 4.970 1.00 0.00 O ATOM 173 CB VAL A 12 -7.164 0.270 5.730 1.00 0.00 C ATOM 174 CG1 VAL A 12 -6.308 1.195 6.599 1.00 0.00 C ATOM 175 CG2 VAL A 12 -6.490 0.129 4.357 1.00 0.00 C ATOM 0 H VAL A 12 -5.826 -2.252 5.785 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.837 -0.849 7.416 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.153 0.702 5.576 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.142 2.136 6.075 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.823 1.390 7.540 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.349 0.719 6.802 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.337 1.117 3.924 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.528 -0.369 4.474 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.127 -0.461 3.698 1.00 0.00 H new ATOM 185 N THR A 13 -9.738 -1.565 5.822 1.00 0.00 N ATOM 186 CA THR A 13 -10.904 -2.254 5.234 1.00 0.00 C ATOM 187 C THR A 13 -11.756 -1.301 4.396 1.00 0.00 C ATOM 188 O THR A 13 -11.616 -0.083 4.497 1.00 0.00 O ATOM 189 CB THR A 13 -11.785 -2.889 6.324 1.00 0.00 C ATOM 190 OG1 THR A 13 -12.318 -1.888 7.171 1.00 0.00 O ATOM 191 CG2 THR A 13 -11.022 -3.890 7.193 1.00 0.00 C ATOM 0 H THR A 13 -10.007 -0.757 6.383 1.00 0.00 H new ATOM 0 HA THR A 13 -10.510 -3.038 4.588 1.00 0.00 H new ATOM 0 HB THR A 13 -12.579 -3.421 5.800 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.878 -2.305 7.859 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.694 -4.306 7.944 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.635 -4.694 6.567 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.193 -3.384 7.688 1.00 0.00 H new ATOM 199 N ASP A 14 -12.707 -1.822 3.617 1.00 0.00 N ATOM 200 CA ASP A 14 -13.651 -0.998 2.845 1.00 0.00 C ATOM 201 C ASP A 14 -14.467 -0.021 3.726 1.00 0.00 C ATOM 202 O ASP A 14 -14.853 1.059 3.274 1.00 0.00 O ATOM 203 CB ASP A 14 -14.586 -1.920 2.048 1.00 0.00 C ATOM 204 CG ASP A 14 -15.399 -1.124 1.014 1.00 0.00 C ATOM 205 OD1 ASP A 14 -14.792 -0.593 0.055 1.00 0.00 O ATOM 206 OD2 ASP A 14 -16.644 -1.046 1.155 1.00 0.00 O ATOM 0 H ASP A 14 -12.847 -2.826 3.501 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.068 -0.374 2.167 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -14.000 -2.687 1.542 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -15.263 -2.434 2.730 1.00 0.00 H new ATOM 211 N ALA A 15 -14.684 -0.372 5.000 1.00 0.00 N ATOM 212 CA ALA A 15 -15.368 0.452 5.998 1.00 0.00 C ATOM 213 C ALA A 15 -14.470 1.516 6.678 1.00 0.00 C ATOM 214 O ALA A 15 -14.997 2.407 7.350 1.00 0.00 O ATOM 215 CB ALA A 15 -15.996 -0.496 7.028 1.00 0.00 C ATOM 0 H ALA A 15 -14.376 -1.269 5.375 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.129 1.042 5.487 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.516 0.086 7.789 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.705 -1.157 6.529 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.214 -1.092 7.498 1.00 0.00 H new ATOM 221 N SER A 16 -13.140 1.439 6.531 1.00 0.00 N ATOM 222 CA SER A 16 -12.160 2.299 7.231 1.00 0.00 C ATOM 223 C SER A 16 -11.119 2.983 6.331 1.00 0.00 C ATOM 224 O SER A 16 -10.408 3.875 6.796 1.00 0.00 O ATOM 225 CB SER A 16 -11.454 1.496 8.332 1.00 0.00 C ATOM 226 OG SER A 16 -10.763 0.380 7.797 1.00 0.00 O ATOM 0 H SER A 16 -12.699 0.762 5.908 1.00 0.00 H new ATOM 0 HA SER A 16 -12.748 3.114 7.653 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.752 2.141 8.861 1.00 0.00 H new ATOM 0 HB3 SER A 16 -12.187 1.155 9.063 1.00 0.00 H new ATOM 0 HG SER A 16 -11.399 -0.344 7.620 1.00 0.00 H new ATOM 232 N PHE A 17 -11.042 2.632 5.042 1.00 0.00 N ATOM 233 CA PHE A 17 -10.056 3.142 4.082 1.00 0.00 C ATOM 234 C PHE A 17 -10.096 4.670 3.973 1.00 0.00 C ATOM 235 O PHE A 17 -9.062 5.326 4.093 1.00 0.00 O ATOM 236 CB PHE A 17 -10.318 2.473 2.721 1.00 0.00 C ATOM 237 CG PHE A 17 -9.355 2.843 1.607 1.00 0.00 C ATOM 238 CD1 PHE A 17 -9.542 4.029 0.867 1.00 0.00 C ATOM 239 CD2 PHE A 17 -8.302 1.971 1.270 1.00 0.00 C ATOM 240 CE1 PHE A 17 -8.677 4.341 -0.196 1.00 0.00 C ATOM 241 CE2 PHE A 17 -7.452 2.276 0.193 1.00 0.00 C ATOM 242 CZ PHE A 17 -7.639 3.459 -0.539 1.00 0.00 C ATOM 0 H PHE A 17 -11.687 1.962 4.624 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.053 2.894 4.430 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -10.289 1.392 2.857 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -11.329 2.727 2.401 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.351 4.699 1.118 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.147 1.067 1.840 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -8.810 5.259 -0.749 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.653 1.599 -0.072 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.985 3.691 -1.366 1.00 0.00 H new ATOM 252 N ALA A 18 -11.283 5.266 3.822 1.00 0.00 N ATOM 253 CA ALA A 18 -11.414 6.719 3.710 1.00 0.00 C ATOM 254 C ALA A 18 -11.027 7.454 5.011 1.00 0.00 C ATOM 255 O ALA A 18 -10.435 8.533 4.970 1.00 0.00 O ATOM 256 CB ALA A 18 -12.843 7.048 3.264 1.00 0.00 C ATOM 0 H ALA A 18 -12.168 4.761 3.775 1.00 0.00 H new ATOM 0 HA ALA A 18 -10.708 7.079 2.961 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -12.957 8.128 3.176 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.039 6.582 2.298 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -13.551 6.667 4.001 1.00 0.00 H new ATOM 262 N THR A 19 -11.308 6.845 6.165 1.00 0.00 N ATOM 263 CA THR A 19 -11.028 7.378 7.511 1.00 0.00 C ATOM 264 C THR A 19 -9.564 7.210 7.949 1.00 0.00 C ATOM 265 O THR A 19 -9.169 7.768 8.974 1.00 0.00 O ATOM 266 CB THR A 19 -11.952 6.717 8.559 1.00 0.00 C ATOM 267 OG1 THR A 19 -13.181 6.299 7.989 1.00 0.00 O ATOM 268 CG2 THR A 19 -12.313 7.664 9.705 1.00 0.00 C ATOM 0 H THR A 19 -11.755 5.929 6.194 1.00 0.00 H new ATOM 0 HA THR A 19 -11.224 8.449 7.451 1.00 0.00 H new ATOM 0 HB THR A 19 -11.381 5.867 8.933 1.00 0.00 H new ATOM 0 HG1 THR A 19 -13.738 5.884 8.681 1.00 0.00 H new ATOM 0 HG21 THR A 19 -12.963 7.149 10.412 1.00 0.00 H new ATOM 0 HG22 THR A 19 -11.403 7.982 10.214 1.00 0.00 H new ATOM 0 HG23 THR A 19 -12.830 8.537 9.306 1.00 0.00 H new ATOM 276 N ASP A 20 -8.745 6.469 7.194 1.00 0.00 N ATOM 277 CA ASP A 20 -7.331 6.205 7.509 1.00 0.00 C ATOM 278 C ASP A 20 -6.360 6.667 6.405 1.00 0.00 C ATOM 279 O ASP A 20 -5.371 7.351 6.681 1.00 0.00 O ATOM 280 CB ASP A 20 -7.164 4.711 7.807 1.00 0.00 C ATOM 281 CG ASP A 20 -5.757 4.429 8.355 1.00 0.00 C ATOM 282 OD1 ASP A 20 -4.838 4.173 7.543 1.00 0.00 O ATOM 283 OD2 ASP A 20 -5.578 4.479 9.596 1.00 0.00 O ATOM 0 H ASP A 20 -9.051 6.025 6.328 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.067 6.796 8.386 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.914 4.392 8.531 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.331 4.132 6.899 1.00 0.00 H new ATOM 288 N VAL A 21 -6.652 6.320 5.147 1.00 0.00 N ATOM 289 CA VAL A 21 -5.828 6.633 3.969 1.00 0.00 C ATOM 290 C VAL A 21 -6.115 8.045 3.458 1.00 0.00 C ATOM 291 O VAL A 21 -5.196 8.847 3.282 1.00 0.00 O ATOM 292 CB VAL A 21 -6.054 5.589 2.851 1.00 0.00 C ATOM 293 CG1 VAL A 21 -5.115 5.819 1.663 1.00 0.00 C ATOM 294 CG2 VAL A 21 -5.849 4.150 3.350 1.00 0.00 C ATOM 0 H VAL A 21 -7.495 5.797 4.910 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.781 6.591 4.270 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.089 5.718 2.535 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.304 5.066 0.898 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.291 6.811 1.247 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.080 5.745 1.997 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.019 3.453 2.530 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.830 4.035 3.719 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.553 3.941 4.156 1.00 0.00 H new ATOM 304 N LEU A 22 -7.396 8.367 3.239 1.00 0.00 N ATOM 305 CA LEU A 22 -7.827 9.643 2.645 1.00 0.00 C ATOM 306 C LEU A 22 -7.957 10.785 3.672 1.00 0.00 C ATOM 307 O LEU A 22 -8.037 11.953 3.290 1.00 0.00 O ATOM 308 CB LEU A 22 -9.111 9.448 1.815 1.00 0.00 C ATOM 309 CG LEU A 22 -9.065 8.296 0.791 1.00 0.00 C ATOM 310 CD1 LEU A 22 -10.392 8.216 0.036 1.00 0.00 C ATOM 311 CD2 LEU A 22 -7.940 8.441 -0.234 1.00 0.00 C ATOM 0 H LEU A 22 -8.171 7.745 3.470 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.034 9.964 1.970 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.942 9.272 2.498 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.325 10.376 1.284 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.879 7.389 1.366 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.352 7.400 -0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.202 8.036 0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.570 9.155 -0.488 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.965 7.597 -0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.072 9.369 -0.791 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.979 8.460 0.281 1.00 0.00 H new ATOM 323 N SER A 23 -7.943 10.465 4.968 1.00 0.00 N ATOM 324 CA SER A 23 -7.983 11.432 6.075 1.00 0.00 C ATOM 325 C SER A 23 -6.630 12.116 6.352 1.00 0.00 C ATOM 326 O SER A 23 -6.589 13.162 7.007 1.00 0.00 O ATOM 327 CB SER A 23 -8.459 10.721 7.343 1.00 0.00 C ATOM 328 OG SER A 23 -7.534 9.711 7.705 1.00 0.00 O ATOM 0 H SER A 23 -7.902 9.498 5.289 1.00 0.00 H new ATOM 0 HA SER A 23 -8.674 12.221 5.778 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.563 11.439 8.156 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.443 10.283 7.177 1.00 0.00 H new ATOM 0 HG SER A 23 -7.977 9.054 8.281 1.00 0.00 H new ATOM 334 N SER A 24 -5.518 11.536 5.880 1.00 0.00 N ATOM 335 CA SER A 24 -4.156 11.914 6.262 1.00 0.00 C ATOM 336 C SER A 24 -3.586 13.068 5.428 1.00 0.00 C ATOM 337 O SER A 24 -3.625 13.042 4.195 1.00 0.00 O ATOM 338 CB SER A 24 -3.246 10.691 6.177 1.00 0.00 C ATOM 339 OG SER A 24 -1.977 10.999 6.721 1.00 0.00 O ATOM 0 H SER A 24 -5.545 10.772 5.205 1.00 0.00 H new ATOM 0 HA SER A 24 -4.201 12.280 7.288 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.691 9.857 6.719 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.140 10.377 5.139 1.00 0.00 H new ATOM 0 HG SER A 24 -1.295 10.928 6.021 1.00 0.00 H new ATOM 345 N ASN A 25 -2.985 14.053 6.105 1.00 0.00 N ATOM 346 CA ASN A 25 -2.171 15.110 5.486 1.00 0.00 C ATOM 347 C ASN A 25 -0.776 14.583 5.071 1.00 0.00 C ATOM 348 O ASN A 25 -0.217 15.004 4.056 1.00 0.00 O ATOM 349 CB ASN A 25 -2.080 16.272 6.495 1.00 0.00 C ATOM 350 CG ASN A 25 -1.429 17.539 5.947 1.00 0.00 C ATOM 351 OD1 ASN A 25 -1.317 17.774 4.753 1.00 0.00 O ATOM 352 ND2 ASN A 25 -0.993 18.420 6.820 1.00 0.00 N ATOM 0 H ASN A 25 -3.051 14.141 7.119 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.636 15.459 4.564 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.085 16.516 6.840 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.516 15.937 7.366 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -0.567 19.289 6.498 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -1.081 18.235 7.819 1.00 0.00 H new ATOM 359 N LYS A 26 -0.239 13.607 5.821 1.00 0.00 N ATOM 360 CA LYS A 26 1.018 12.899 5.511 1.00 0.00 C ATOM 361 C LYS A 26 0.730 11.811 4.464 1.00 0.00 C ATOM 362 O LYS A 26 -0.307 11.154 4.591 1.00 0.00 O ATOM 363 CB LYS A 26 1.590 12.299 6.812 1.00 0.00 C ATOM 364 CG LYS A 26 2.978 11.653 6.628 1.00 0.00 C ATOM 365 CD LYS A 26 3.484 10.910 7.875 1.00 0.00 C ATOM 366 CE LYS A 26 2.639 9.656 8.131 1.00 0.00 C ATOM 367 NZ LYS A 26 3.202 8.795 9.203 1.00 0.00 N ATOM 0 H LYS A 26 -0.677 13.279 6.682 1.00 0.00 H new ATOM 0 HA LYS A 26 1.759 13.583 5.098 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.659 13.083 7.566 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.896 11.550 7.194 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.936 10.955 5.792 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.697 12.428 6.361 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.529 10.631 7.740 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.439 11.569 8.742 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.627 9.954 8.404 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.564 9.079 7.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.718 7.874 9.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.219 8.653 9.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.064 9.254 10.126 1.00 0.00 H new ATOM 381 N PRO A 27 1.582 11.587 3.445 1.00 0.00 N ATOM 382 CA PRO A 27 1.305 10.576 2.432 1.00 0.00 C ATOM 383 C PRO A 27 1.147 9.159 3.007 1.00 0.00 C ATOM 384 O PRO A 27 1.843 8.758 3.945 1.00 0.00 O ATOM 385 CB PRO A 27 2.411 10.679 1.376 1.00 0.00 C ATOM 386 CG PRO A 27 3.492 11.544 2.022 1.00 0.00 C ATOM 387 CD PRO A 27 2.774 12.348 3.104 1.00 0.00 C ATOM 0 HA PRO A 27 0.334 10.769 1.976 1.00 0.00 H new ATOM 0 HB2 PRO A 27 2.798 9.695 1.112 1.00 0.00 H new ATOM 0 HB3 PRO A 27 2.039 11.132 0.457 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.284 10.929 2.450 1.00 0.00 H new ATOM 0 HG3 PRO A 27 3.960 12.201 1.289 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.412 12.485 3.977 1.00 0.00 H new ATOM 0 HD3 PRO A 27 2.512 13.342 2.742 1.00 0.00 H new ATOM 395 N VAL A 28 0.213 8.406 2.426 1.00 0.00 N ATOM 396 CA VAL A 28 -0.158 7.045 2.835 1.00 0.00 C ATOM 397 C VAL A 28 -0.020 6.103 1.642 1.00 0.00 C ATOM 398 O VAL A 28 -0.592 6.348 0.578 1.00 0.00 O ATOM 399 CB VAL A 28 -1.577 6.976 3.443 1.00 0.00 C ATOM 400 CG1 VAL A 28 -1.850 5.571 4.004 1.00 0.00 C ATOM 401 CG2 VAL A 28 -1.766 7.981 4.581 1.00 0.00 C ATOM 0 H VAL A 28 -0.328 8.737 1.627 1.00 0.00 H new ATOM 0 HA VAL A 28 0.524 6.731 3.625 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.272 7.215 2.638 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.853 5.538 4.429 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.771 4.837 3.202 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.120 5.341 4.780 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.778 7.896 4.977 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.047 7.773 5.374 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.608 8.991 4.204 1.00 0.00 H new ATOM 411 N LEU A 29 0.746 5.028 1.822 1.00 0.00 N ATOM 412 CA LEU A 29 1.054 4.021 0.807 1.00 0.00 C ATOM 413 C LEU A 29 0.312 2.723 1.140 1.00 0.00 C ATOM 414 O LEU A 29 0.572 2.118 2.177 1.00 0.00 O ATOM 415 CB LEU A 29 2.586 3.887 0.742 1.00 0.00 C ATOM 416 CG LEU A 29 3.204 2.926 -0.294 1.00 0.00 C ATOM 417 CD1 LEU A 29 3.328 1.490 0.206 1.00 0.00 C ATOM 418 CD2 LEU A 29 2.475 2.887 -1.635 1.00 0.00 C ATOM 0 H LEU A 29 1.188 4.826 2.719 1.00 0.00 H new ATOM 0 HA LEU A 29 0.710 4.303 -0.188 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.997 4.880 0.558 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.932 3.577 1.728 1.00 0.00 H new ATOM 0 HG LEU A 29 4.195 3.354 -0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.770 0.870 -0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.963 1.467 1.092 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.340 1.106 0.458 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.977 2.186 -2.302 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.445 2.566 -1.480 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.482 3.881 -2.082 1.00 0.00 H new ATOM 430 N VAL A 30 -0.627 2.303 0.290 1.00 0.00 N ATOM 431 CA VAL A 30 -1.493 1.137 0.525 1.00 0.00 C ATOM 432 C VAL A 30 -1.113 -0.016 -0.399 1.00 0.00 C ATOM 433 O VAL A 30 -1.154 0.121 -1.620 1.00 0.00 O ATOM 434 CB VAL A 30 -2.991 1.463 0.366 1.00 0.00 C ATOM 435 CG1 VAL A 30 -3.836 0.329 0.968 1.00 0.00 C ATOM 436 CG2 VAL A 30 -3.400 2.777 1.036 1.00 0.00 C ATOM 0 H VAL A 30 -0.813 2.769 -0.598 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.333 0.841 1.562 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.169 1.567 -0.704 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.894 0.564 0.853 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.613 -0.604 0.451 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.601 0.223 2.027 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.466 2.946 0.886 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.188 2.722 2.104 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.837 3.600 0.596 1.00 0.00 H new ATOM 446 N ASP A 31 -0.782 -1.162 0.188 1.00 0.00 N ATOM 447 CA ASP A 31 -0.520 -2.427 -0.496 1.00 0.00 C ATOM 448 C ASP A 31 -1.799 -3.276 -0.595 1.00 0.00 C ATOM 449 O ASP A 31 -2.293 -3.811 0.400 1.00 0.00 O ATOM 450 CB ASP A 31 0.603 -3.151 0.259 1.00 0.00 C ATOM 451 CG ASP A 31 0.847 -4.576 -0.255 1.00 0.00 C ATOM 452 OD1 ASP A 31 0.832 -4.786 -1.489 1.00 0.00 O ATOM 453 OD2 ASP A 31 1.063 -5.475 0.592 1.00 0.00 O ATOM 0 H ASP A 31 -0.684 -1.239 1.200 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.200 -2.246 -1.522 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.524 -2.575 0.169 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.354 -3.190 1.319 1.00 0.00 H new ATOM 458 N PHE A 32 -2.339 -3.406 -1.803 1.00 0.00 N ATOM 459 CA PHE A 32 -3.468 -4.276 -2.122 1.00 0.00 C ATOM 460 C PHE A 32 -2.937 -5.691 -2.366 1.00 0.00 C ATOM 461 O PHE A 32 -2.185 -5.923 -3.320 1.00 0.00 O ATOM 462 CB PHE A 32 -4.252 -3.729 -3.321 1.00 0.00 C ATOM 463 CG PHE A 32 -5.048 -2.470 -3.024 1.00 0.00 C ATOM 464 CD1 PHE A 32 -4.392 -1.243 -2.801 1.00 0.00 C ATOM 465 CD2 PHE A 32 -6.455 -2.517 -2.987 1.00 0.00 C ATOM 466 CE1 PHE A 32 -5.141 -0.082 -2.553 1.00 0.00 C ATOM 467 CE2 PHE A 32 -7.200 -1.342 -2.777 1.00 0.00 C ATOM 468 CZ PHE A 32 -6.539 -0.119 -2.577 1.00 0.00 C ATOM 0 H PHE A 32 -1.992 -2.893 -2.613 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.170 -4.308 -1.289 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.554 -3.521 -4.132 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.934 -4.501 -3.677 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.313 -1.196 -2.821 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -6.965 -3.460 -3.120 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.634 0.848 -2.342 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.279 -1.381 -2.770 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.108 0.789 -2.442 1.00 0.00 H new ATOM 478 N TRP A 33 -3.290 -6.615 -1.471 1.00 0.00 N ATOM 479 CA TRP A 33 -2.643 -7.923 -1.338 1.00 0.00 C ATOM 480 C TRP A 33 -3.616 -9.035 -0.913 1.00 0.00 C ATOM 481 O TRP A 33 -4.731 -8.770 -0.459 1.00 0.00 O ATOM 482 CB TRP A 33 -1.501 -7.803 -0.312 1.00 0.00 C ATOM 483 CG TRP A 33 -1.917 -7.979 1.117 1.00 0.00 C ATOM 484 CD1 TRP A 33 -2.705 -7.130 1.813 1.00 0.00 C ATOM 485 CD2 TRP A 33 -1.679 -9.118 2.002 1.00 0.00 C ATOM 486 NE1 TRP A 33 -3.014 -7.685 3.037 1.00 0.00 N ATOM 487 CE2 TRP A 33 -2.399 -8.902 3.215 1.00 0.00 C ATOM 488 CE3 TRP A 33 -0.938 -10.316 1.901 1.00 0.00 C ATOM 489 CZ2 TRP A 33 -2.394 -9.828 4.268 1.00 0.00 C ATOM 490 CZ3 TRP A 33 -0.913 -11.246 2.959 1.00 0.00 C ATOM 491 CH2 TRP A 33 -1.643 -11.008 4.138 1.00 0.00 C ATOM 0 H TRP A 33 -4.049 -6.473 -0.804 1.00 0.00 H new ATOM 0 HA TRP A 33 -2.260 -8.208 -2.318 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -0.740 -8.547 -0.548 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -1.035 -6.824 -0.422 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -3.041 -6.165 1.464 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -3.624 -7.246 3.726 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -0.382 -10.522 0.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.960 -9.636 5.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.329 -12.149 2.864 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -1.626 -11.730 4.941 1.00 0.00 H new ATOM 502 N ALA A 34 -3.160 -10.286 -0.999 1.00 0.00 N ATOM 503 CA ALA A 34 -3.798 -11.450 -0.385 1.00 0.00 C ATOM 504 C ALA A 34 -2.761 -12.530 -0.046 1.00 0.00 C ATOM 505 O ALA A 34 -1.713 -12.629 -0.692 1.00 0.00 O ATOM 506 CB ALA A 34 -4.871 -12.005 -1.327 1.00 0.00 C ATOM 0 H ALA A 34 -2.312 -10.523 -1.513 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.269 -11.141 0.548 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.345 -12.872 -0.868 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.622 -11.238 -1.515 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.410 -12.300 -2.270 1.00 0.00 H new ATOM 512 N THR A 35 -3.073 -13.385 0.934 1.00 0.00 N ATOM 513 CA THR A 35 -2.169 -14.466 1.372 1.00 0.00 C ATOM 514 C THR A 35 -1.940 -15.546 0.301 1.00 0.00 C ATOM 515 O THR A 35 -0.929 -16.249 0.334 1.00 0.00 O ATOM 516 CB THR A 35 -2.637 -15.064 2.711 1.00 0.00 C ATOM 517 OG1 THR A 35 -1.606 -15.850 3.270 1.00 0.00 O ATOM 518 CG2 THR A 35 -3.891 -15.933 2.599 1.00 0.00 C ATOM 0 H THR A 35 -3.954 -13.352 1.447 1.00 0.00 H new ATOM 0 HA THR A 35 -1.191 -14.010 1.529 1.00 0.00 H new ATOM 0 HB THR A 35 -2.885 -14.212 3.344 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.908 -16.227 4.123 1.00 0.00 H new ATOM 0 HG21 THR A 35 -4.157 -16.317 3.584 1.00 0.00 H new ATOM 0 HG22 THR A 35 -4.714 -15.335 2.208 1.00 0.00 H new ATOM 0 HG23 THR A 35 -3.697 -16.767 1.925 1.00 0.00 H new ATOM 526 N TRP A 36 -2.825 -15.635 -0.700 1.00 0.00 N ATOM 527 CA TRP A 36 -2.696 -16.560 -1.835 1.00 0.00 C ATOM 528 C TRP A 36 -1.652 -16.142 -2.892 1.00 0.00 C ATOM 529 O TRP A 36 -1.397 -16.904 -3.828 1.00 0.00 O ATOM 530 CB TRP A 36 -4.084 -16.841 -2.440 1.00 0.00 C ATOM 531 CG TRP A 36 -4.970 -15.686 -2.833 1.00 0.00 C ATOM 532 CD1 TRP A 36 -6.105 -15.336 -2.181 1.00 0.00 C ATOM 533 CD2 TRP A 36 -4.895 -14.783 -3.990 1.00 0.00 C ATOM 534 NE1 TRP A 36 -6.754 -14.329 -2.862 1.00 0.00 N ATOM 535 CE2 TRP A 36 -6.057 -13.946 -3.984 1.00 0.00 C ATOM 536 CE3 TRP A 36 -3.979 -14.578 -5.050 1.00 0.00 C ATOM 537 CZ2 TRP A 36 -6.307 -12.984 -4.973 1.00 0.00 C ATOM 538 CZ3 TRP A 36 -4.204 -13.589 -6.031 1.00 0.00 C ATOM 539 CH2 TRP A 36 -5.373 -12.808 -6.006 1.00 0.00 C ATOM 0 H TRP A 36 -3.664 -15.057 -0.745 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.290 -17.491 -1.439 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.935 -17.455 -3.328 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.637 -17.447 -1.722 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -6.451 -15.782 -1.260 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.641 -13.919 -2.570 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.091 -15.190 -5.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -7.206 -12.386 -4.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.471 -13.430 -6.808 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -5.552 -12.075 -6.779 1.00 0.00 H new ATOM 550 N CYS A 37 -1.027 -14.966 -2.756 1.00 0.00 N ATOM 551 CA CYS A 37 -0.079 -14.416 -3.729 1.00 0.00 C ATOM 552 C CYS A 37 1.376 -14.426 -3.209 1.00 0.00 C ATOM 553 O CYS A 37 1.767 -13.626 -2.354 1.00 0.00 O ATOM 554 CB CYS A 37 -0.589 -13.020 -4.107 1.00 0.00 C ATOM 555 SG CYS A 37 0.421 -12.302 -5.433 1.00 0.00 S ATOM 0 H CYS A 37 -1.170 -14.359 -1.949 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.034 -15.041 -4.621 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.629 -13.083 -4.429 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.565 -12.370 -3.232 1.00 0.00 H new ATOM 0 HG CYS A 37 1.679 -12.513 -5.183 1.00 0.00 H new ATOM 561 N GLY A 38 2.215 -15.302 -3.772 1.00 0.00 N ATOM 562 CA GLY A 38 3.656 -15.363 -3.476 1.00 0.00 C ATOM 563 C GLY A 38 4.411 -14.053 -3.769 1.00 0.00 C ATOM 564 O GLY A 38 5.206 -13.625 -2.931 1.00 0.00 O ATOM 0 H GLY A 38 1.912 -15.998 -4.454 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.790 -15.621 -2.425 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.103 -16.167 -4.061 1.00 0.00 H new ATOM 568 N PRO A 39 4.122 -13.336 -4.873 1.00 0.00 N ATOM 569 CA PRO A 39 4.629 -11.980 -5.083 1.00 0.00 C ATOM 570 C PRO A 39 4.191 -10.962 -4.012 1.00 0.00 C ATOM 571 O PRO A 39 4.987 -10.097 -3.645 1.00 0.00 O ATOM 572 CB PRO A 39 4.167 -11.584 -6.484 1.00 0.00 C ATOM 573 CG PRO A 39 4.091 -12.924 -7.213 1.00 0.00 C ATOM 574 CD PRO A 39 3.605 -13.877 -6.122 1.00 0.00 C ATOM 0 HA PRO A 39 5.715 -11.972 -4.991 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.200 -11.081 -6.463 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.870 -10.903 -6.963 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.400 -12.887 -8.055 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.061 -13.224 -7.609 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.516 -13.931 -6.105 1.00 0.00 H new ATOM 0 HD3 PRO A 39 3.972 -14.889 -6.293 1.00 0.00 H new ATOM 582 N CYS A 40 2.988 -11.082 -3.430 1.00 0.00 N ATOM 583 CA CYS A 40 2.625 -10.287 -2.245 1.00 0.00 C ATOM 584 C CYS A 40 3.526 -10.644 -1.054 1.00 0.00 C ATOM 585 O CYS A 40 4.057 -9.743 -0.402 1.00 0.00 O ATOM 586 CB CYS A 40 1.146 -10.451 -1.867 1.00 0.00 C ATOM 587 SG CYS A 40 0.062 -9.701 -3.110 1.00 0.00 S ATOM 0 H CYS A 40 2.257 -11.714 -3.755 1.00 0.00 H new ATOM 0 HA CYS A 40 2.780 -9.240 -2.504 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.909 -11.510 -1.767 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.963 -9.990 -0.896 1.00 0.00 H new ATOM 0 HG CYS A 40 0.010 -10.467 -4.159 1.00 0.00 H new ATOM 593 N LYS A 41 3.769 -11.942 -0.804 1.00 0.00 N ATOM 594 CA LYS A 41 4.693 -12.390 0.263 1.00 0.00 C ATOM 595 C LYS A 41 6.129 -11.879 0.072 1.00 0.00 C ATOM 596 O LYS A 41 6.775 -11.544 1.063 1.00 0.00 O ATOM 597 CB LYS A 41 4.688 -13.928 0.401 1.00 0.00 C ATOM 598 CG LYS A 41 3.324 -14.557 0.729 1.00 0.00 C ATOM 599 CD LYS A 41 2.803 -14.186 2.124 1.00 0.00 C ATOM 600 CE LYS A 41 1.353 -14.643 2.314 1.00 0.00 C ATOM 601 NZ LYS A 41 1.206 -16.114 2.470 1.00 0.00 N ATOM 0 H LYS A 41 3.339 -12.705 -1.326 1.00 0.00 H new ATOM 0 HA LYS A 41 4.317 -11.949 1.186 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.054 -14.360 -0.530 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.395 -14.208 1.182 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.597 -14.240 -0.019 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.405 -15.642 0.656 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.434 -14.645 2.885 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.868 -13.107 2.264 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.938 -14.150 3.193 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.763 -14.317 1.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.233 -16.337 2.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.412 -16.581 1.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.871 -16.454 3.194 1.00 0.00 H new ATOM 615 N MET A 42 6.630 -11.783 -1.167 1.00 0.00 N ATOM 616 CA MET A 42 8.002 -11.320 -1.441 1.00 0.00 C ATOM 617 C MET A 42 8.177 -9.787 -1.415 1.00 0.00 C ATOM 618 O MET A 42 9.254 -9.322 -1.041 1.00 0.00 O ATOM 619 CB MET A 42 8.571 -11.979 -2.713 1.00 0.00 C ATOM 620 CG MET A 42 8.260 -11.228 -4.011 1.00 0.00 C ATOM 621 SD MET A 42 8.630 -12.130 -5.542 1.00 0.00 S ATOM 622 CE MET A 42 10.442 -12.176 -5.472 1.00 0.00 C ATOM 0 H MET A 42 6.101 -12.022 -2.005 1.00 0.00 H new ATOM 0 HA MET A 42 8.607 -11.660 -0.601 1.00 0.00 H new ATOM 0 HB2 MET A 42 9.652 -12.066 -2.609 1.00 0.00 H new ATOM 0 HB3 MET A 42 8.175 -12.992 -2.790 1.00 0.00 H new ATOM 0 HG2 MET A 42 7.203 -10.963 -4.013 1.00 0.00 H new ATOM 0 HG3 MET A 42 8.823 -10.295 -4.014 1.00 0.00 H new ATOM 0 HE1 MET A 42 10.827 -12.700 -6.347 1.00 0.00 H new ATOM 0 HE2 MET A 42 10.832 -11.158 -5.458 1.00 0.00 H new ATOM 0 HE3 MET A 42 10.758 -12.698 -4.569 1.00 0.00 H new ATOM 632 N VAL A 43 7.149 -8.991 -1.759 1.00 0.00 N ATOM 633 CA VAL A 43 7.213 -7.511 -1.637 1.00 0.00 C ATOM 634 C VAL A 43 6.860 -6.995 -0.235 1.00 0.00 C ATOM 635 O VAL A 43 7.340 -5.931 0.159 1.00 0.00 O ATOM 636 CB VAL A 43 6.389 -6.823 -2.745 1.00 0.00 C ATOM 637 CG1 VAL A 43 4.881 -6.828 -2.484 1.00 0.00 C ATOM 638 CG2 VAL A 43 6.844 -5.379 -2.989 1.00 0.00 C ATOM 0 H VAL A 43 6.263 -9.340 -2.124 1.00 0.00 H new ATOM 0 HA VAL A 43 8.257 -7.235 -1.783 1.00 0.00 H new ATOM 0 HB VAL A 43 6.577 -7.424 -3.635 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.368 -6.327 -3.305 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.528 -7.857 -2.409 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.671 -6.304 -1.552 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.236 -4.934 -3.777 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.729 -4.801 -2.072 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.891 -5.374 -3.292 1.00 0.00 H new ATOM 648 N ALA A 44 6.094 -7.759 0.555 1.00 0.00 N ATOM 649 CA ALA A 44 5.743 -7.429 1.939 1.00 0.00 C ATOM 650 C ALA A 44 6.937 -6.995 2.826 1.00 0.00 C ATOM 651 O ALA A 44 6.827 -5.936 3.449 1.00 0.00 O ATOM 652 CB ALA A 44 4.972 -8.602 2.561 1.00 0.00 C ATOM 0 H ALA A 44 5.693 -8.643 0.241 1.00 0.00 H new ATOM 0 HA ALA A 44 5.109 -6.544 1.898 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.709 -8.360 3.591 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.063 -8.785 1.988 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.596 -9.496 2.546 1.00 0.00 H new ATOM 658 N PRO A 45 8.089 -7.702 2.881 1.00 0.00 N ATOM 659 CA PRO A 45 9.239 -7.252 3.671 1.00 0.00 C ATOM 660 C PRO A 45 9.869 -5.949 3.149 1.00 0.00 C ATOM 661 O PRO A 45 10.390 -5.172 3.948 1.00 0.00 O ATOM 662 CB PRO A 45 10.238 -8.415 3.654 1.00 0.00 C ATOM 663 CG PRO A 45 9.889 -9.170 2.374 1.00 0.00 C ATOM 664 CD PRO A 45 8.374 -9.010 2.307 1.00 0.00 C ATOM 0 HA PRO A 45 8.924 -7.003 4.684 1.00 0.00 H new ATOM 0 HB2 PRO A 45 11.268 -8.059 3.641 1.00 0.00 H new ATOM 0 HB3 PRO A 45 10.131 -9.048 4.535 1.00 0.00 H new ATOM 0 HG2 PRO A 45 10.382 -8.742 1.502 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.186 -10.218 2.426 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.019 -9.072 1.278 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.872 -9.800 2.865 1.00 0.00 H new ATOM 672 N VAL A 46 9.794 -5.660 1.843 1.00 0.00 N ATOM 673 CA VAL A 46 10.344 -4.418 1.263 1.00 0.00 C ATOM 674 C VAL A 46 9.525 -3.209 1.721 1.00 0.00 C ATOM 675 O VAL A 46 10.076 -2.248 2.265 1.00 0.00 O ATOM 676 CB VAL A 46 10.424 -4.468 -0.281 1.00 0.00 C ATOM 677 CG1 VAL A 46 11.147 -3.238 -0.802 1.00 0.00 C ATOM 678 CG2 VAL A 46 11.181 -5.710 -0.768 1.00 0.00 C ATOM 0 H VAL A 46 9.354 -6.274 1.158 1.00 0.00 H new ATOM 0 HA VAL A 46 11.366 -4.319 1.629 1.00 0.00 H new ATOM 0 HB VAL A 46 9.402 -4.504 -0.657 1.00 0.00 H new ATOM 0 HG11 VAL A 46 11.199 -3.280 -1.890 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.605 -2.342 -0.499 1.00 0.00 H new ATOM 0 HG13 VAL A 46 12.156 -3.208 -0.391 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.217 -5.710 -1.857 1.00 0.00 H new ATOM 0 HG22 VAL A 46 12.196 -5.696 -0.372 1.00 0.00 H new ATOM 0 HG23 VAL A 46 10.669 -6.608 -0.421 1.00 0.00 H new ATOM 688 N LEU A 47 8.200 -3.274 1.560 1.00 0.00 N ATOM 689 CA LEU A 47 7.300 -2.202 1.990 1.00 0.00 C ATOM 690 C LEU A 47 7.197 -2.097 3.523 1.00 0.00 C ATOM 691 O LEU A 47 7.031 -0.994 4.033 1.00 0.00 O ATOM 692 CB LEU A 47 5.960 -2.291 1.230 1.00 0.00 C ATOM 693 CG LEU A 47 5.095 -3.540 1.488 1.00 0.00 C ATOM 694 CD1 LEU A 47 4.104 -3.335 2.636 1.00 0.00 C ATOM 695 CD2 LEU A 47 4.305 -3.897 0.235 1.00 0.00 C ATOM 0 H LEU A 47 7.724 -4.067 1.130 1.00 0.00 H new ATOM 0 HA LEU A 47 7.728 -1.239 1.711 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.368 -1.411 1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.171 -2.239 0.162 1.00 0.00 H new ATOM 0 HG LEU A 47 5.779 -4.344 1.759 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.518 -4.243 2.778 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.650 -3.108 3.552 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.437 -2.507 2.397 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.697 -4.781 0.428 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.657 -3.063 -0.037 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.995 -4.102 -0.584 1.00 0.00 H new ATOM 707 N GLU A 48 7.381 -3.192 4.269 1.00 0.00 N ATOM 708 CA GLU A 48 7.490 -3.183 5.737 1.00 0.00 C ATOM 709 C GLU A 48 8.784 -2.513 6.239 1.00 0.00 C ATOM 710 O GLU A 48 8.743 -1.739 7.199 1.00 0.00 O ATOM 711 CB GLU A 48 7.367 -4.623 6.262 1.00 0.00 C ATOM 712 CG GLU A 48 7.400 -4.713 7.791 1.00 0.00 C ATOM 713 CD GLU A 48 7.199 -6.158 8.292 1.00 0.00 C ATOM 714 OE1 GLU A 48 7.953 -7.070 7.871 1.00 0.00 O ATOM 715 OE2 GLU A 48 6.308 -6.384 9.146 1.00 0.00 O ATOM 0 H GLU A 48 7.460 -4.126 3.866 1.00 0.00 H new ATOM 0 HA GLU A 48 6.673 -2.578 6.130 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.435 -5.057 5.899 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.179 -5.223 5.852 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.354 -4.333 8.155 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.622 -4.074 8.208 1.00 0.00 H new ATOM 722 N GLU A 49 9.929 -2.738 5.586 1.00 0.00 N ATOM 723 CA GLU A 49 11.155 -1.987 5.883 1.00 0.00 C ATOM 724 C GLU A 49 10.983 -0.495 5.578 1.00 0.00 C ATOM 725 O GLU A 49 11.288 0.339 6.431 1.00 0.00 O ATOM 726 CB GLU A 49 12.352 -2.540 5.099 1.00 0.00 C ATOM 727 CG GLU A 49 12.948 -3.790 5.756 1.00 0.00 C ATOM 728 CD GLU A 49 14.211 -4.272 5.017 1.00 0.00 C ATOM 729 OE1 GLU A 49 15.103 -3.433 4.732 1.00 0.00 O ATOM 730 OE2 GLU A 49 14.338 -5.490 4.738 1.00 0.00 O ATOM 0 H GLU A 49 10.033 -3.434 4.848 1.00 0.00 H new ATOM 0 HA GLU A 49 11.350 -2.106 6.949 1.00 0.00 H new ATOM 0 HB2 GLU A 49 12.039 -2.780 4.083 1.00 0.00 H new ATOM 0 HB3 GLU A 49 13.120 -1.771 5.022 1.00 0.00 H new ATOM 0 HG2 GLU A 49 13.195 -3.573 6.795 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.204 -4.587 5.764 1.00 0.00 H new ATOM 737 N ILE A 50 10.436 -0.141 4.407 1.00 0.00 N ATOM 738 CA ILE A 50 10.178 1.267 4.063 1.00 0.00 C ATOM 739 C ILE A 50 9.188 1.899 5.062 1.00 0.00 C ATOM 740 O ILE A 50 9.411 3.028 5.497 1.00 0.00 O ATOM 741 CB ILE A 50 9.752 1.400 2.579 1.00 0.00 C ATOM 742 CG1 ILE A 50 10.935 1.005 1.659 1.00 0.00 C ATOM 743 CG2 ILE A 50 9.299 2.838 2.265 1.00 0.00 C ATOM 744 CD1 ILE A 50 10.588 0.876 0.170 1.00 0.00 C ATOM 0 H ILE A 50 10.164 -0.806 3.683 1.00 0.00 H new ATOM 0 HA ILE A 50 11.100 1.840 4.158 1.00 0.00 H new ATOM 0 HB ILE A 50 8.911 0.730 2.398 1.00 0.00 H new ATOM 0 HG12 ILE A 50 11.724 1.749 1.769 1.00 0.00 H new ATOM 0 HG13 ILE A 50 11.342 0.055 2.005 1.00 0.00 H new ATOM 0 HG21 ILE A 50 9.005 2.906 1.218 1.00 0.00 H new ATOM 0 HG22 ILE A 50 8.451 3.099 2.898 1.00 0.00 H new ATOM 0 HG23 ILE A 50 10.120 3.528 2.457 1.00 0.00 H new ATOM 0 HD11 ILE A 50 11.481 0.597 -0.389 1.00 0.00 H new ATOM 0 HD12 ILE A 50 9.824 0.110 0.040 1.00 0.00 H new ATOM 0 HD13 ILE A 50 10.212 1.830 -0.200 1.00 0.00 H new ATOM 756 N ALA A 51 8.169 1.166 5.526 1.00 0.00 N ATOM 757 CA ALA A 51 7.263 1.613 6.587 1.00 0.00 C ATOM 758 C ALA A 51 7.996 1.939 7.895 1.00 0.00 C ATOM 759 O ALA A 51 7.784 2.997 8.489 1.00 0.00 O ATOM 760 CB ALA A 51 6.235 0.510 6.869 1.00 0.00 C ATOM 0 H ALA A 51 7.949 0.236 5.170 1.00 0.00 H new ATOM 0 HA ALA A 51 6.784 2.527 6.236 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.558 0.837 7.658 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.665 0.304 5.963 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.751 -0.396 7.186 1.00 0.00 H new ATOM 766 N THR A 52 8.844 1.015 8.349 1.00 0.00 N ATOM 767 CA THR A 52 9.463 1.057 9.678 1.00 0.00 C ATOM 768 C THR A 52 10.595 2.084 9.742 1.00 0.00 C ATOM 769 O THR A 52 10.776 2.745 10.766 1.00 0.00 O ATOM 770 CB THR A 52 9.914 -0.354 10.090 1.00 0.00 C ATOM 771 OG1 THR A 52 8.806 -1.231 9.998 1.00 0.00 O ATOM 772 CG2 THR A 52 10.393 -0.435 11.537 1.00 0.00 C ATOM 0 H THR A 52 9.125 0.204 7.797 1.00 0.00 H new ATOM 0 HA THR A 52 8.720 1.391 10.403 1.00 0.00 H new ATOM 0 HB THR A 52 10.737 -0.619 9.426 1.00 0.00 H new ATOM 0 HG1 THR A 52 8.679 -1.501 9.065 1.00 0.00 H new ATOM 0 HG21 THR A 52 10.697 -1.457 11.763 1.00 0.00 H new ATOM 0 HG22 THR A 52 11.241 0.235 11.678 1.00 0.00 H new ATOM 0 HG23 THR A 52 9.584 -0.141 12.205 1.00 0.00 H new ATOM 780 N GLU A 53 11.323 2.282 8.640 1.00 0.00 N ATOM 781 CA GLU A 53 12.389 3.286 8.539 1.00 0.00 C ATOM 782 C GLU A 53 11.883 4.698 8.191 1.00 0.00 C ATOM 783 O GLU A 53 12.451 5.680 8.672 1.00 0.00 O ATOM 784 CB GLU A 53 13.448 2.816 7.533 1.00 0.00 C ATOM 785 CG GLU A 53 14.087 1.489 7.969 1.00 0.00 C ATOM 786 CD GLU A 53 15.396 1.232 7.208 1.00 0.00 C ATOM 787 OE1 GLU A 53 15.334 0.890 6.003 1.00 0.00 O ATOM 788 OE2 GLU A 53 16.491 1.363 7.807 1.00 0.00 O ATOM 0 H GLU A 53 11.189 1.745 7.783 1.00 0.00 H new ATOM 0 HA GLU A 53 12.834 3.375 9.530 1.00 0.00 H new ATOM 0 HB2 GLU A 53 12.991 2.696 6.551 1.00 0.00 H new ATOM 0 HB3 GLU A 53 14.221 3.578 7.434 1.00 0.00 H new ATOM 0 HG2 GLU A 53 14.284 1.511 9.041 1.00 0.00 H new ATOM 0 HG3 GLU A 53 13.391 0.670 7.789 1.00 0.00 H new ATOM 795 N ARG A 54 10.819 4.819 7.377 1.00 0.00 N ATOM 796 CA ARG A 54 10.269 6.102 6.886 1.00 0.00 C ATOM 797 C ARG A 54 8.927 6.482 7.522 1.00 0.00 C ATOM 798 O ARG A 54 8.151 7.219 6.919 1.00 0.00 O ATOM 799 CB ARG A 54 10.240 6.149 5.341 1.00 0.00 C ATOM 800 CG ARG A 54 11.541 5.736 4.624 1.00 0.00 C ATOM 801 CD ARG A 54 12.849 6.356 5.152 1.00 0.00 C ATOM 802 NE ARG A 54 12.746 7.798 5.451 1.00 0.00 N ATOM 803 CZ ARG A 54 13.732 8.640 5.677 1.00 0.00 C ATOM 804 NH1 ARG A 54 14.990 8.320 5.597 1.00 0.00 N ATOM 805 NH2 ARG A 54 13.460 9.862 6.001 1.00 0.00 N ATOM 0 H ARG A 54 10.303 4.010 7.032 1.00 0.00 H new ATOM 0 HA ARG A 54 10.958 6.878 7.219 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.436 5.500 4.993 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.986 7.164 5.034 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.631 4.651 4.681 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.444 5.993 3.569 1.00 0.00 H new ATOM 0 HD2 ARG A 54 13.152 5.828 6.056 1.00 0.00 H new ATOM 0 HD3 ARG A 54 13.637 6.203 4.414 1.00 0.00 H new ATOM 0 HE ARG A 54 11.803 8.186 5.486 1.00 0.00 H new ATOM 0 HH11 ARG A 54 15.259 7.369 5.347 1.00 0.00 H new ATOM 0 HH12 ARG A 54 15.707 9.020 5.785 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.489 10.165 6.079 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.216 10.523 6.178 1.00 0.00 H new ATOM 819 N ALA A 55 8.655 6.034 8.750 1.00 0.00 N ATOM 820 CA ALA A 55 7.413 6.325 9.484 1.00 0.00 C ATOM 821 C ALA A 55 7.132 7.836 9.666 1.00 0.00 C ATOM 822 O ALA A 55 5.974 8.261 9.726 1.00 0.00 O ATOM 823 CB ALA A 55 7.491 5.616 10.843 1.00 0.00 C ATOM 0 H ALA A 55 9.302 5.447 9.276 1.00 0.00 H new ATOM 0 HA ALA A 55 6.576 5.954 8.892 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.581 5.815 11.410 1.00 0.00 H new ATOM 0 HB2 ALA A 55 7.594 4.542 10.688 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.353 5.987 11.398 1.00 0.00 H new ATOM 829 N THR A 56 8.182 8.662 9.709 1.00 0.00 N ATOM 830 CA THR A 56 8.101 10.136 9.763 1.00 0.00 C ATOM 831 C THR A 56 7.587 10.746 8.449 1.00 0.00 C ATOM 832 O THR A 56 6.975 11.814 8.456 1.00 0.00 O ATOM 833 CB THR A 56 9.489 10.722 10.091 1.00 0.00 C ATOM 834 OG1 THR A 56 10.071 10.024 11.175 1.00 0.00 O ATOM 835 CG2 THR A 56 9.447 12.198 10.494 1.00 0.00 C ATOM 0 H THR A 56 9.143 8.319 9.707 1.00 0.00 H new ATOM 0 HA THR A 56 7.386 10.391 10.545 1.00 0.00 H new ATOM 0 HB THR A 56 10.069 10.620 9.174 1.00 0.00 H new ATOM 0 HG1 THR A 56 10.952 10.404 11.373 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.457 12.545 10.711 1.00 0.00 H new ATOM 0 HG22 THR A 56 9.029 12.786 9.677 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.825 12.315 11.381 1.00 0.00 H new ATOM 843 N ASP A 57 7.805 10.067 7.318 1.00 0.00 N ATOM 844 CA ASP A 57 7.493 10.545 5.963 1.00 0.00 C ATOM 845 C ASP A 57 6.227 9.897 5.379 1.00 0.00 C ATOM 846 O ASP A 57 5.484 10.546 4.645 1.00 0.00 O ATOM 847 CB ASP A 57 8.676 10.243 5.031 1.00 0.00 C ATOM 848 CG ASP A 57 10.033 10.621 5.632 1.00 0.00 C ATOM 849 OD1 ASP A 57 10.421 11.810 5.585 1.00 0.00 O ATOM 850 OD2 ASP A 57 10.731 9.708 6.132 1.00 0.00 O ATOM 0 H ASP A 57 8.219 9.135 7.319 1.00 0.00 H new ATOM 0 HA ASP A 57 7.312 11.617 6.037 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.677 9.180 4.789 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.538 10.783 4.094 1.00 0.00 H new ATOM 855 N LEU A 58 5.982 8.626 5.713 1.00 0.00 N ATOM 856 CA LEU A 58 4.918 7.766 5.195 1.00 0.00 C ATOM 857 C LEU A 58 4.143 7.095 6.336 1.00 0.00 C ATOM 858 O LEU A 58 4.701 6.799 7.393 1.00 0.00 O ATOM 859 CB LEU A 58 5.516 6.653 4.304 1.00 0.00 C ATOM 860 CG LEU A 58 6.250 7.107 3.032 1.00 0.00 C ATOM 861 CD1 LEU A 58 6.842 5.891 2.317 1.00 0.00 C ATOM 862 CD2 LEU A 58 5.327 7.827 2.049 1.00 0.00 C ATOM 0 H LEU A 58 6.561 8.140 6.398 1.00 0.00 H new ATOM 0 HA LEU A 58 4.243 8.397 4.617 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.211 6.070 4.908 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.709 5.982 4.010 1.00 0.00 H new ATOM 0 HG LEU A 58 7.028 7.801 3.349 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.362 6.216 1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.545 5.386 2.979 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.041 5.203 2.046 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.896 8.126 1.169 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.521 7.157 1.750 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.906 8.712 2.527 1.00 0.00 H new ATOM 874 N THR A 59 2.878 6.768 6.085 1.00 0.00 N ATOM 875 CA THR A 59 2.212 5.627 6.738 1.00 0.00 C ATOM 876 C THR A 59 2.027 4.533 5.691 1.00 0.00 C ATOM 877 O THR A 59 1.601 4.823 4.574 1.00 0.00 O ATOM 878 CB THR A 59 0.874 6.030 7.379 1.00 0.00 C ATOM 879 OG1 THR A 59 1.118 6.948 8.424 1.00 0.00 O ATOM 880 CG2 THR A 59 0.131 4.852 8.008 1.00 0.00 C ATOM 0 H THR A 59 2.284 7.277 5.430 1.00 0.00 H new ATOM 0 HA THR A 59 2.832 5.260 7.556 1.00 0.00 H new ATOM 0 HB THR A 59 0.266 6.448 6.577 1.00 0.00 H new ATOM 0 HG1 THR A 59 0.268 7.209 8.835 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.805 5.203 8.443 1.00 0.00 H new ATOM 0 HG22 THR A 59 -0.082 4.106 7.243 1.00 0.00 H new ATOM 0 HG23 THR A 59 0.749 4.406 8.788 1.00 0.00 H new ATOM 888 N VAL A 60 2.352 3.281 6.022 1.00 0.00 N ATOM 889 CA VAL A 60 2.197 2.143 5.102 1.00 0.00 C ATOM 890 C VAL A 60 1.078 1.229 5.592 1.00 0.00 C ATOM 891 O VAL A 60 1.126 0.704 6.706 1.00 0.00 O ATOM 892 CB VAL A 60 3.513 1.380 4.898 1.00 0.00 C ATOM 893 CG1 VAL A 60 3.339 0.171 3.969 1.00 0.00 C ATOM 894 CG2 VAL A 60 4.589 2.293 4.291 1.00 0.00 C ATOM 0 H VAL A 60 2.730 3.024 6.934 1.00 0.00 H new ATOM 0 HA VAL A 60 1.921 2.532 4.122 1.00 0.00 H new ATOM 0 HB VAL A 60 3.821 1.035 5.885 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.295 -0.339 3.853 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.611 -0.516 4.399 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.987 0.509 2.994 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.512 1.728 4.157 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.248 2.666 3.325 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.772 3.134 4.960 1.00 0.00 H new ATOM 904 N ALA A 61 0.074 1.040 4.742 1.00 0.00 N ATOM 905 CA ALA A 61 -1.129 0.268 5.013 1.00 0.00 C ATOM 906 C ALA A 61 -1.271 -0.939 4.067 1.00 0.00 C ATOM 907 O ALA A 61 -0.631 -1.006 3.017 1.00 0.00 O ATOM 908 CB ALA A 61 -2.335 1.214 4.940 1.00 0.00 C ATOM 0 H ALA A 61 0.079 1.440 3.804 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.069 -0.161 6.013 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.249 0.655 5.140 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.223 2.004 5.682 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.391 1.656 3.945 1.00 0.00 H new ATOM 914 N LYS A 62 -2.152 -1.876 4.422 1.00 0.00 N ATOM 915 CA LYS A 62 -2.551 -3.038 3.616 1.00 0.00 C ATOM 916 C LYS A 62 -4.066 -3.091 3.423 1.00 0.00 C ATOM 917 O LYS A 62 -4.805 -2.908 4.389 1.00 0.00 O ATOM 918 CB LYS A 62 -2.046 -4.328 4.281 1.00 0.00 C ATOM 919 CG LYS A 62 -0.624 -4.700 3.843 1.00 0.00 C ATOM 920 CD LYS A 62 -0.129 -5.924 4.631 1.00 0.00 C ATOM 921 CE LYS A 62 1.202 -6.481 4.107 1.00 0.00 C ATOM 922 NZ LYS A 62 1.057 -7.116 2.771 1.00 0.00 N ATOM 0 H LYS A 62 -2.631 -1.846 5.322 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.099 -2.942 2.629 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.069 -4.207 5.364 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.723 -5.147 4.038 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.609 -4.916 2.775 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.047 -3.857 4.007 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.014 -5.651 5.680 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.886 -6.707 4.587 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.933 -5.675 4.047 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.592 -7.212 4.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.912 -7.666 2.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.231 -7.748 2.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.926 -6.379 2.049 1.00 0.00 H new ATOM 936 N LEU A 63 -4.514 -3.385 2.203 1.00 0.00 N ATOM 937 CA LEU A 63 -5.900 -3.734 1.878 1.00 0.00 C ATOM 938 C LEU A 63 -5.940 -5.198 1.429 1.00 0.00 C ATOM 939 O LEU A 63 -5.343 -5.581 0.422 1.00 0.00 O ATOM 940 CB LEU A 63 -6.460 -2.734 0.839 1.00 0.00 C ATOM 941 CG LEU A 63 -7.952 -2.853 0.442 1.00 0.00 C ATOM 942 CD1 LEU A 63 -8.263 -4.125 -0.347 1.00 0.00 C ATOM 943 CD2 LEU A 63 -8.875 -2.762 1.658 1.00 0.00 C ATOM 0 H LEU A 63 -3.904 -3.387 1.386 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.552 -3.651 2.747 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.297 -1.727 1.224 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.865 -2.829 -0.069 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.143 -2.003 -0.212 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.324 -4.149 -0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.675 -4.137 -1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -8.011 -4.998 0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.912 -2.850 1.335 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.642 -3.569 2.353 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.730 -1.802 2.154 1.00 0.00 H new ATOM 955 N ASP A 64 -6.656 -6.015 2.194 1.00 0.00 N ATOM 956 CA ASP A 64 -6.795 -7.449 1.980 1.00 0.00 C ATOM 957 C ASP A 64 -7.875 -7.683 0.911 1.00 0.00 C ATOM 958 O ASP A 64 -9.070 -7.642 1.216 1.00 0.00 O ATOM 959 CB ASP A 64 -7.163 -8.115 3.320 1.00 0.00 C ATOM 960 CG ASP A 64 -6.049 -8.114 4.385 1.00 0.00 C ATOM 961 OD1 ASP A 64 -5.311 -7.114 4.529 1.00 0.00 O ATOM 962 OD2 ASP A 64 -5.932 -9.111 5.137 1.00 0.00 O ATOM 0 H ASP A 64 -7.173 -5.684 3.008 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.863 -7.890 1.626 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.036 -7.608 3.731 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.456 -9.147 3.126 1.00 0.00 H new ATOM 967 N VAL A 65 -7.485 -7.898 -0.352 1.00 0.00 N ATOM 968 CA VAL A 65 -8.434 -7.985 -1.487 1.00 0.00 C ATOM 969 C VAL A 65 -9.341 -9.216 -1.415 1.00 0.00 C ATOM 970 O VAL A 65 -10.407 -9.243 -2.031 1.00 0.00 O ATOM 971 CB VAL A 65 -7.746 -7.932 -2.868 1.00 0.00 C ATOM 972 CG1 VAL A 65 -6.857 -6.691 -3.011 1.00 0.00 C ATOM 973 CG2 VAL A 65 -6.910 -9.162 -3.229 1.00 0.00 C ATOM 0 H VAL A 65 -6.509 -8.017 -0.623 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.053 -7.093 -1.385 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.584 -7.897 -3.564 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.390 -6.689 -3.996 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.464 -5.793 -2.896 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.084 -6.707 -2.243 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.470 -9.026 -4.217 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.117 -9.291 -2.493 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.547 -10.046 -3.235 1.00 0.00 H new ATOM 983 N ASP A 66 -8.940 -10.223 -0.636 1.00 0.00 N ATOM 984 CA ASP A 66 -9.696 -11.462 -0.428 1.00 0.00 C ATOM 985 C ASP A 66 -10.946 -11.252 0.452 1.00 0.00 C ATOM 986 O ASP A 66 -11.914 -12.009 0.348 1.00 0.00 O ATOM 987 CB ASP A 66 -8.750 -12.508 0.175 1.00 0.00 C ATOM 988 CG ASP A 66 -9.366 -13.917 0.153 1.00 0.00 C ATOM 989 OD1 ASP A 66 -9.513 -14.483 -0.957 1.00 0.00 O ATOM 990 OD2 ASP A 66 -9.667 -14.471 1.238 1.00 0.00 O ATOM 0 H ASP A 66 -8.060 -10.200 -0.120 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.073 -11.812 -1.389 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.812 -12.513 -0.381 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.511 -12.232 1.202 1.00 0.00 H new ATOM 995 N THR A 67 -10.950 -10.198 1.278 1.00 0.00 N ATOM 996 CA THR A 67 -12.073 -9.796 2.149 1.00 0.00 C ATOM 997 C THR A 67 -12.633 -8.405 1.826 1.00 0.00 C ATOM 998 O THR A 67 -13.759 -8.102 2.227 1.00 0.00 O ATOM 999 CB THR A 67 -11.681 -9.873 3.634 1.00 0.00 C ATOM 1000 OG1 THR A 67 -10.513 -9.118 3.880 1.00 0.00 O ATOM 1001 CG2 THR A 67 -11.399 -11.309 4.079 1.00 0.00 C ATOM 0 H THR A 67 -10.146 -9.577 1.365 1.00 0.00 H new ATOM 0 HA THR A 67 -12.869 -10.512 1.946 1.00 0.00 H new ATOM 0 HB THR A 67 -12.528 -9.477 4.194 1.00 0.00 H new ATOM 0 HG1 THR A 67 -10.279 -9.177 4.830 1.00 0.00 H new ATOM 0 HG21 THR A 67 -11.126 -11.316 5.134 1.00 0.00 H new ATOM 0 HG22 THR A 67 -12.291 -11.918 3.931 1.00 0.00 H new ATOM 0 HG23 THR A 67 -10.579 -11.718 3.489 1.00 0.00 H new ATOM 1009 N ASN A 68 -11.910 -7.573 1.060 1.00 0.00 N ATOM 1010 CA ASN A 68 -12.340 -6.246 0.607 1.00 0.00 C ATOM 1011 C ASN A 68 -12.302 -6.123 -0.938 1.00 0.00 C ATOM 1012 O ASN A 68 -11.587 -5.268 -1.475 1.00 0.00 O ATOM 1013 CB ASN A 68 -11.478 -5.180 1.307 1.00 0.00 C ATOM 1014 CG ASN A 68 -11.457 -5.290 2.818 1.00 0.00 C ATOM 1015 OD1 ASN A 68 -12.259 -4.690 3.519 1.00 0.00 O ATOM 1016 ND2 ASN A 68 -10.537 -6.050 3.364 1.00 0.00 N ATOM 0 H ASN A 68 -10.977 -7.817 0.729 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.382 -6.088 0.884 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -10.456 -5.254 0.935 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.847 -4.192 1.031 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -10.488 -6.143 4.379 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.871 -6.548 2.774 1.00 0.00 H new ATOM 1023 N PRO A 69 -13.071 -6.941 -1.687 1.00 0.00 N ATOM 1024 CA PRO A 69 -13.110 -6.867 -3.151 1.00 0.00 C ATOM 1025 C PRO A 69 -13.713 -5.546 -3.659 1.00 0.00 C ATOM 1026 O PRO A 69 -13.388 -5.108 -4.760 1.00 0.00 O ATOM 1027 CB PRO A 69 -13.940 -8.079 -3.593 1.00 0.00 C ATOM 1028 CG PRO A 69 -14.878 -8.316 -2.411 1.00 0.00 C ATOM 1029 CD PRO A 69 -13.998 -7.963 -1.214 1.00 0.00 C ATOM 0 HA PRO A 69 -12.105 -6.887 -3.572 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -14.493 -7.875 -4.510 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -13.311 -8.948 -3.787 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -15.764 -7.684 -2.463 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -15.225 -9.348 -2.369 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -14.599 -7.591 -0.384 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -13.461 -8.840 -0.852 1.00 0.00 H new ATOM 1037 N GLU A 70 -14.535 -4.871 -2.847 1.00 0.00 N ATOM 1038 CA GLU A 70 -15.112 -3.561 -3.168 1.00 0.00 C ATOM 1039 C GLU A 70 -14.031 -2.473 -3.283 1.00 0.00 C ATOM 1040 O GLU A 70 -14.026 -1.705 -4.245 1.00 0.00 O ATOM 1041 CB GLU A 70 -16.159 -3.178 -2.107 1.00 0.00 C ATOM 1042 CG GLU A 70 -17.349 -4.147 -2.014 1.00 0.00 C ATOM 1043 CD GLU A 70 -18.131 -4.225 -3.336 1.00 0.00 C ATOM 1044 OE1 GLU A 70 -19.027 -3.384 -3.580 1.00 0.00 O ATOM 1045 OE2 GLU A 70 -17.828 -5.101 -4.178 1.00 0.00 O ATOM 0 H GLU A 70 -14.822 -5.225 -1.935 1.00 0.00 H new ATOM 0 HA GLU A 70 -15.598 -3.635 -4.141 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -15.671 -3.126 -1.134 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -16.535 -2.179 -2.329 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -16.988 -5.140 -1.747 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -18.017 -3.825 -1.215 1.00 0.00 H new ATOM 1052 N THR A 71 -13.056 -2.457 -2.368 1.00 0.00 N ATOM 1053 CA THR A 71 -11.915 -1.523 -2.408 1.00 0.00 C ATOM 1054 C THR A 71 -10.958 -1.870 -3.551 1.00 0.00 C ATOM 1055 O THR A 71 -10.456 -0.973 -4.227 1.00 0.00 O ATOM 1056 CB THR A 71 -11.160 -1.481 -1.073 1.00 0.00 C ATOM 1057 OG1 THR A 71 -12.030 -1.687 0.015 1.00 0.00 O ATOM 1058 CG2 THR A 71 -10.468 -0.139 -0.838 1.00 0.00 C ATOM 0 H THR A 71 -13.032 -3.094 -1.572 1.00 0.00 H new ATOM 0 HA THR A 71 -12.325 -0.529 -2.588 1.00 0.00 H new ATOM 0 HB THR A 71 -10.418 -2.277 -1.137 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.887 -1.247 -0.164 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.948 -0.161 0.120 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.750 0.045 -1.637 1.00 0.00 H new ATOM 0 HG23 THR A 71 -11.212 0.657 -0.829 1.00 0.00 H new ATOM 1066 N ALA A 72 -10.758 -3.166 -3.825 1.00 0.00 N ATOM 1067 CA ALA A 72 -9.955 -3.645 -4.952 1.00 0.00 C ATOM 1068 C ALA A 72 -10.532 -3.205 -6.311 1.00 0.00 C ATOM 1069 O ALA A 72 -9.801 -2.673 -7.150 1.00 0.00 O ATOM 1070 CB ALA A 72 -9.825 -5.169 -4.843 1.00 0.00 C ATOM 0 H ALA A 72 -11.155 -3.918 -3.262 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.964 -3.194 -4.903 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -9.229 -5.544 -5.675 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -9.337 -5.426 -3.903 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -10.816 -5.622 -4.873 1.00 0.00 H new ATOM 1076 N ARG A 73 -11.847 -3.365 -6.531 1.00 0.00 N ATOM 1077 CA ARG A 73 -12.492 -3.004 -7.806 1.00 0.00 C ATOM 1078 C ARG A 73 -12.729 -1.500 -7.982 1.00 0.00 C ATOM 1079 O ARG A 73 -12.747 -1.034 -9.119 1.00 0.00 O ATOM 1080 CB ARG A 73 -13.754 -3.855 -8.044 1.00 0.00 C ATOM 1081 CG ARG A 73 -14.984 -3.408 -7.240 1.00 0.00 C ATOM 1082 CD ARG A 73 -16.148 -4.388 -7.428 1.00 0.00 C ATOM 1083 NE ARG A 73 -17.350 -3.948 -6.697 1.00 0.00 N ATOM 1084 CZ ARG A 73 -18.272 -3.089 -7.090 1.00 0.00 C ATOM 1085 NH1 ARG A 73 -18.257 -2.537 -8.272 1.00 0.00 N ATOM 1086 NH2 ARG A 73 -19.236 -2.757 -6.285 1.00 0.00 N ATOM 0 H ARG A 73 -12.490 -3.745 -5.836 1.00 0.00 H new ATOM 0 HA ARG A 73 -11.781 -3.248 -8.596 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -14.000 -3.828 -9.106 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.530 -4.892 -7.795 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.727 -3.341 -6.183 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.288 -2.411 -7.558 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.380 -4.480 -8.489 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.851 -5.377 -7.080 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.486 -4.358 -5.773 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -17.513 -2.765 -8.932 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.989 -1.878 -8.536 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -19.281 -3.160 -5.349 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -19.948 -2.093 -6.589 1.00 0.00 H new ATOM 1100 N ASN A 74 -12.831 -0.726 -6.895 1.00 0.00 N ATOM 1101 CA ASN A 74 -13.028 0.733 -6.940 1.00 0.00 C ATOM 1102 C ASN A 74 -11.918 1.464 -7.725 1.00 0.00 C ATOM 1103 O ASN A 74 -12.208 2.359 -8.521 1.00 0.00 O ATOM 1104 CB ASN A 74 -13.128 1.260 -5.498 1.00 0.00 C ATOM 1105 CG ASN A 74 -13.382 2.759 -5.455 1.00 0.00 C ATOM 1106 OD1 ASN A 74 -14.496 3.226 -5.648 1.00 0.00 O ATOM 1107 ND2 ASN A 74 -12.370 3.565 -5.225 1.00 0.00 N ATOM 0 H ASN A 74 -12.779 -1.097 -5.946 1.00 0.00 H new ATOM 0 HA ASN A 74 -13.953 0.938 -7.479 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.933 0.741 -4.977 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.205 1.033 -4.964 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -12.516 4.574 -5.208 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -11.439 3.181 -5.063 1.00 0.00 H new ATOM 1114 N PHE A 75 -10.660 1.049 -7.535 1.00 0.00 N ATOM 1115 CA PHE A 75 -9.487 1.550 -8.272 1.00 0.00 C ATOM 1116 C PHE A 75 -9.021 0.596 -9.399 1.00 0.00 C ATOM 1117 O PHE A 75 -7.957 0.803 -9.986 1.00 0.00 O ATOM 1118 CB PHE A 75 -8.366 1.859 -7.264 1.00 0.00 C ATOM 1119 CG PHE A 75 -8.767 2.737 -6.089 1.00 0.00 C ATOM 1120 CD1 PHE A 75 -8.907 4.128 -6.259 1.00 0.00 C ATOM 1121 CD2 PHE A 75 -8.988 2.164 -4.821 1.00 0.00 C ATOM 1122 CE1 PHE A 75 -9.263 4.940 -5.167 1.00 0.00 C ATOM 1123 CE2 PHE A 75 -9.348 2.976 -3.729 1.00 0.00 C ATOM 1124 CZ PHE A 75 -9.482 4.365 -3.902 1.00 0.00 C ATOM 0 H PHE A 75 -10.420 0.336 -6.846 1.00 0.00 H new ATOM 0 HA PHE A 75 -9.770 2.466 -8.790 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -7.980 0.916 -6.876 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.547 2.344 -7.795 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -8.741 4.572 -7.229 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -8.881 1.098 -4.686 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -9.368 6.007 -5.300 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -9.521 2.533 -2.759 1.00 0.00 H new ATOM 0 HZ PHE A 75 -9.753 4.990 -3.064 1.00 0.00 H new ATOM 1134 N GLN A 76 -9.783 -0.479 -9.656 1.00 0.00 N ATOM 1135 CA GLN A 76 -9.443 -1.671 -10.460 1.00 0.00 C ATOM 1136 C GLN A 76 -8.060 -2.299 -10.181 1.00 0.00 C ATOM 1137 O GLN A 76 -7.468 -2.962 -11.032 1.00 0.00 O ATOM 1138 CB GLN A 76 -9.849 -1.525 -11.936 1.00 0.00 C ATOM 1139 CG GLN A 76 -8.918 -0.618 -12.739 1.00 0.00 C ATOM 1140 CD GLN A 76 -9.258 -0.540 -14.229 1.00 0.00 C ATOM 1141 OE1 GLN A 76 -10.208 -1.127 -14.735 1.00 0.00 O ATOM 1142 NE2 GLN A 76 -8.492 0.198 -15.006 1.00 0.00 N ATOM 0 H GLN A 76 -10.728 -0.546 -9.279 1.00 0.00 H new ATOM 0 HA GLN A 76 -10.087 -2.465 -10.083 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -9.869 -2.512 -12.398 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -10.863 -1.128 -11.988 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.952 0.386 -12.316 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.894 -0.976 -12.629 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.695 0.697 -14.611 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.696 0.270 -16.003 1.00 0.00 H new ATOM 1151 N VAL A 77 -7.571 -2.162 -8.945 1.00 0.00 N ATOM 1152 CA VAL A 77 -6.332 -2.768 -8.414 1.00 0.00 C ATOM 1153 C VAL A 77 -6.542 -4.234 -7.998 1.00 0.00 C ATOM 1154 O VAL A 77 -6.037 -4.708 -6.980 1.00 0.00 O ATOM 1155 CB VAL A 77 -5.731 -1.903 -7.288 1.00 0.00 C ATOM 1156 CG1 VAL A 77 -5.342 -0.522 -7.817 1.00 0.00 C ATOM 1157 CG2 VAL A 77 -6.684 -1.694 -6.112 1.00 0.00 C ATOM 0 H VAL A 77 -8.050 -1.596 -8.245 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.598 -2.791 -9.219 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.859 -2.453 -6.936 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.920 0.072 -7.007 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.602 -0.631 -8.610 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.226 -0.021 -8.212 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.199 -1.077 -5.356 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.589 -1.196 -6.461 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.945 -2.660 -5.679 1.00 0.00 H new ATOM 1167 N VAL A 78 -7.343 -4.956 -8.786 1.00 0.00 N ATOM 1168 CA VAL A 78 -7.755 -6.342 -8.524 1.00 0.00 C ATOM 1169 C VAL A 78 -6.633 -7.355 -8.804 1.00 0.00 C ATOM 1170 O VAL A 78 -6.599 -8.423 -8.191 1.00 0.00 O ATOM 1171 CB VAL A 78 -9.030 -6.699 -9.311 1.00 0.00 C ATOM 1172 CG1 VAL A 78 -10.220 -5.848 -8.849 1.00 0.00 C ATOM 1173 CG2 VAL A 78 -8.887 -6.554 -10.833 1.00 0.00 C ATOM 0 H VAL A 78 -7.736 -4.583 -9.650 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.978 -6.406 -7.459 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.204 -7.753 -9.097 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.107 -6.121 -9.421 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.404 -6.024 -7.789 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.996 -4.793 -9.008 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -9.827 -6.824 -11.314 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.637 -5.522 -11.078 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.095 -7.213 -11.189 1.00 0.00 H new ATOM 1183 N SER A 79 -5.688 -7.006 -9.684 1.00 0.00 N ATOM 1184 CA SER A 79 -4.396 -7.691 -9.842 1.00 0.00 C ATOM 1185 C SER A 79 -3.432 -7.256 -8.734 1.00 0.00 C ATOM 1186 O SER A 79 -3.399 -6.078 -8.369 1.00 0.00 O ATOM 1187 CB SER A 79 -3.780 -7.392 -11.213 1.00 0.00 C ATOM 1188 OG SER A 79 -4.640 -7.837 -12.254 1.00 0.00 O ATOM 0 H SER A 79 -5.802 -6.219 -10.323 1.00 0.00 H new ATOM 0 HA SER A 79 -4.570 -8.765 -9.769 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.603 -6.321 -11.313 1.00 0.00 H new ATOM 0 HB3 SER A 79 -2.811 -7.885 -11.298 1.00 0.00 H new ATOM 0 HG SER A 79 -4.233 -7.637 -13.123 1.00 0.00 H new ATOM 1194 N ILE A 80 -2.644 -8.191 -8.194 1.00 0.00 N ATOM 1195 CA ILE A 80 -1.843 -7.986 -6.974 1.00 0.00 C ATOM 1196 C ILE A 80 -0.428 -8.603 -7.064 1.00 0.00 C ATOM 1197 O ILE A 80 -0.235 -9.551 -7.832 1.00 0.00 O ATOM 1198 CB ILE A 80 -2.607 -8.511 -5.733 1.00 0.00 C ATOM 1199 CG1 ILE A 80 -2.914 -10.022 -5.794 1.00 0.00 C ATOM 1200 CG2 ILE A 80 -3.880 -7.682 -5.476 1.00 0.00 C ATOM 1201 CD1 ILE A 80 -3.482 -10.533 -4.468 1.00 0.00 C ATOM 0 H ILE A 80 -2.540 -9.124 -8.593 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.694 -6.911 -6.870 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.936 -8.382 -4.883 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.626 -10.218 -6.596 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.003 -10.570 -6.036 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -4.397 -8.072 -4.599 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.607 -6.641 -5.303 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.537 -7.746 -6.343 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.687 -11.601 -4.547 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.758 -10.360 -3.671 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.406 -10.002 -4.240 1.00 0.00 H new ATOM 1213 N PRO A 81 0.566 -8.101 -6.294 1.00 0.00 N ATOM 1214 CA PRO A 81 0.503 -6.925 -5.419 1.00 0.00 C ATOM 1215 C PRO A 81 0.369 -5.625 -6.216 1.00 0.00 C ATOM 1216 O PRO A 81 1.008 -5.464 -7.257 1.00 0.00 O ATOM 1217 CB PRO A 81 1.813 -6.922 -4.625 1.00 0.00 C ATOM 1218 CG PRO A 81 2.788 -7.643 -5.553 1.00 0.00 C ATOM 1219 CD PRO A 81 1.900 -8.678 -6.237 1.00 0.00 C ATOM 0 HA PRO A 81 -0.373 -6.979 -4.772 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.145 -5.908 -4.401 1.00 0.00 H new ATOM 0 HB3 PRO A 81 1.707 -7.440 -3.672 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.242 -6.961 -6.272 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.602 -8.111 -5.000 1.00 0.00 H new ATOM 0 HD2 PRO A 81 2.268 -8.905 -7.238 1.00 0.00 H new ATOM 0 HD3 PRO A 81 1.895 -9.614 -5.679 1.00 0.00 H new ATOM 1227 N THR A 82 -0.426 -4.686 -5.700 1.00 0.00 N ATOM 1228 CA THR A 82 -0.524 -3.319 -6.233 1.00 0.00 C ATOM 1229 C THR A 82 -0.408 -2.312 -5.096 1.00 0.00 C ATOM 1230 O THR A 82 -1.189 -2.334 -4.149 1.00 0.00 O ATOM 1231 CB THR A 82 -1.807 -3.099 -7.050 1.00 0.00 C ATOM 1232 OG1 THR A 82 -1.764 -3.877 -8.222 1.00 0.00 O ATOM 1233 CG2 THR A 82 -1.941 -1.653 -7.534 1.00 0.00 C ATOM 0 H THR A 82 -1.027 -4.851 -4.893 1.00 0.00 H new ATOM 0 HA THR A 82 0.305 -3.169 -6.925 1.00 0.00 H new ATOM 0 HB THR A 82 -2.635 -3.364 -6.393 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.414 -4.607 -8.154 1.00 0.00 H new ATOM 0 HG21 THR A 82 -2.862 -1.545 -8.107 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.967 -0.983 -6.675 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.089 -1.400 -8.166 1.00 0.00 H new ATOM 1241 N LEU A 83 0.583 -1.429 -5.187 1.00 0.00 N ATOM 1242 CA LEU A 83 0.929 -0.428 -4.186 1.00 0.00 C ATOM 1243 C LEU A 83 0.524 0.954 -4.717 1.00 0.00 C ATOM 1244 O LEU A 83 1.033 1.377 -5.755 1.00 0.00 O ATOM 1245 CB LEU A 83 2.438 -0.497 -3.883 1.00 0.00 C ATOM 1246 CG LEU A 83 2.936 -1.696 -3.047 1.00 0.00 C ATOM 1247 CD1 LEU A 83 2.799 -3.059 -3.730 1.00 0.00 C ATOM 1248 CD2 LEU A 83 4.426 -1.498 -2.772 1.00 0.00 C ATOM 0 H LEU A 83 1.196 -1.392 -6.002 1.00 0.00 H new ATOM 0 HA LEU A 83 0.396 -0.616 -3.254 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.973 -0.502 -4.832 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.720 0.418 -3.362 1.00 0.00 H new ATOM 0 HG LEU A 83 2.313 -1.713 -2.153 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.174 -3.838 -3.066 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.750 -3.249 -3.956 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.375 -3.062 -4.655 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.801 -2.334 -2.182 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.967 -1.449 -3.717 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.574 -0.569 -2.221 1.00 0.00 H new ATOM 1260 N ILE A 84 -0.370 1.662 -4.026 1.00 0.00 N ATOM 1261 CA ILE A 84 -0.815 3.022 -4.386 1.00 0.00 C ATOM 1262 C ILE A 84 -0.424 4.026 -3.294 1.00 0.00 C ATOM 1263 O ILE A 84 -0.654 3.776 -2.112 1.00 0.00 O ATOM 1264 CB ILE A 84 -2.331 3.052 -4.713 1.00 0.00 C ATOM 1265 CG1 ILE A 84 -2.707 4.403 -5.362 1.00 0.00 C ATOM 1266 CG2 ILE A 84 -3.182 2.753 -3.477 1.00 0.00 C ATOM 1267 CD1 ILE A 84 -4.145 4.470 -5.888 1.00 0.00 C ATOM 0 H ILE A 84 -0.818 1.305 -3.182 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.300 3.325 -5.298 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.544 2.260 -5.431 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.563 5.197 -4.630 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -2.021 4.601 -6.186 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.238 2.783 -3.746 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.933 1.763 -3.095 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.982 3.500 -2.708 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.326 5.451 -6.327 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.291 3.700 -6.646 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.841 4.306 -5.065 1.00 0.00 H new ATOM 1279 N LEU A 85 0.147 5.171 -3.674 1.00 0.00 N ATOM 1280 CA LEU A 85 0.455 6.275 -2.763 1.00 0.00 C ATOM 1281 C LEU A 85 -0.556 7.414 -2.943 1.00 0.00 C ATOM 1282 O LEU A 85 -0.706 7.954 -4.042 1.00 0.00 O ATOM 1283 CB LEU A 85 1.921 6.713 -2.944 1.00 0.00 C ATOM 1284 CG LEU A 85 2.392 7.735 -1.883 1.00 0.00 C ATOM 1285 CD1 LEU A 85 3.881 7.550 -1.593 1.00 0.00 C ATOM 1286 CD2 LEU A 85 2.190 9.182 -2.332 1.00 0.00 C ATOM 0 H LEU A 85 0.413 5.360 -4.640 1.00 0.00 H new ATOM 0 HA LEU A 85 0.356 5.946 -1.729 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.563 5.833 -2.901 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.043 7.148 -3.936 1.00 0.00 H new ATOM 0 HG LEU A 85 1.788 7.550 -0.995 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.199 8.276 -0.845 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.056 6.542 -1.218 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.452 7.700 -2.509 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.537 9.857 -1.550 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.757 9.362 -3.245 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.131 9.360 -2.521 1.00 0.00 H new ATOM 1298 N PHE A 86 -1.196 7.809 -1.844 1.00 0.00 N ATOM 1299 CA PHE A 86 -1.985 9.037 -1.718 1.00 0.00 C ATOM 1300 C PHE A 86 -1.184 10.097 -0.953 1.00 0.00 C ATOM 1301 O PHE A 86 -0.471 9.759 -0.008 1.00 0.00 O ATOM 1302 CB PHE A 86 -3.311 8.750 -0.995 1.00 0.00 C ATOM 1303 CG PHE A 86 -4.251 7.802 -1.718 1.00 0.00 C ATOM 1304 CD1 PHE A 86 -4.124 6.412 -1.543 1.00 0.00 C ATOM 1305 CD2 PHE A 86 -5.280 8.308 -2.535 1.00 0.00 C ATOM 1306 CE1 PHE A 86 -5.021 5.538 -2.182 1.00 0.00 C ATOM 1307 CE2 PHE A 86 -6.158 7.432 -3.198 1.00 0.00 C ATOM 1308 CZ PHE A 86 -6.027 6.044 -3.021 1.00 0.00 C ATOM 0 H PHE A 86 -1.180 7.263 -0.983 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.209 9.414 -2.716 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -3.088 8.335 -0.012 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.829 9.695 -0.832 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.337 6.016 -0.918 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -5.396 9.375 -2.653 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.936 4.473 -2.027 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -6.931 7.825 -3.842 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.699 5.368 -3.529 1.00 0.00 H new ATOM 1318 N LYS A 87 -1.327 11.376 -1.312 1.00 0.00 N ATOM 1319 CA LYS A 87 -0.765 12.534 -0.594 1.00 0.00 C ATOM 1320 C LYS A 87 -1.865 13.574 -0.370 1.00 0.00 C ATOM 1321 O LYS A 87 -2.612 13.883 -1.297 1.00 0.00 O ATOM 1322 CB LYS A 87 0.441 13.077 -1.376 1.00 0.00 C ATOM 1323 CG LYS A 87 1.390 13.955 -0.545 1.00 0.00 C ATOM 1324 CD LYS A 87 2.712 14.154 -1.311 1.00 0.00 C ATOM 1325 CE LYS A 87 3.800 14.870 -0.497 1.00 0.00 C ATOM 1326 NZ LYS A 87 3.478 16.302 -0.252 1.00 0.00 N ATOM 0 H LYS A 87 -1.856 11.648 -2.141 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.399 12.247 0.392 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.004 12.237 -1.782 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.078 13.657 -2.224 1.00 0.00 H new ATOM 0 HG2 LYS A 87 0.926 14.920 -0.343 1.00 0.00 H new ATOM 0 HG3 LYS A 87 1.584 13.487 0.420 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.089 13.181 -1.626 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.513 14.727 -2.217 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.929 14.361 0.458 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.750 14.800 -1.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.242 16.740 0.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.381 16.797 -1.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 2.585 16.372 0.277 1.00 0.00 H new ATOM 1340 N ASP A 88 -2.025 14.047 0.868 1.00 0.00 N ATOM 1341 CA ASP A 88 -3.190 14.840 1.314 1.00 0.00 C ATOM 1342 C ASP A 88 -4.552 14.223 0.892 1.00 0.00 C ATOM 1343 O ASP A 88 -5.483 14.917 0.476 1.00 0.00 O ATOM 1344 CB ASP A 88 -3.000 16.319 0.926 1.00 0.00 C ATOM 1345 CG ASP A 88 -4.029 17.262 1.584 1.00 0.00 C ATOM 1346 OD1 ASP A 88 -4.393 17.053 2.766 1.00 0.00 O ATOM 1347 OD2 ASP A 88 -4.442 18.251 0.929 1.00 0.00 O ATOM 0 H ASP A 88 -1.340 13.891 1.608 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.236 14.805 2.402 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.996 16.635 1.209 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.071 16.415 -0.157 1.00 0.00 H new ATOM 1352 N GLY A 89 -4.644 12.886 0.929 1.00 0.00 N ATOM 1353 CA GLY A 89 -5.829 12.110 0.535 1.00 0.00 C ATOM 1354 C GLY A 89 -6.186 12.121 -0.960 1.00 0.00 C ATOM 1355 O GLY A 89 -7.327 11.814 -1.306 1.00 0.00 O ATOM 0 H GLY A 89 -3.873 12.297 1.243 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.678 11.075 0.843 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.686 12.487 1.094 1.00 0.00 H new ATOM 1359 N GLN A 90 -5.259 12.479 -1.855 1.00 0.00 N ATOM 1360 CA GLN A 90 -5.419 12.387 -3.317 1.00 0.00 C ATOM 1361 C GLN A 90 -4.303 11.520 -3.939 1.00 0.00 C ATOM 1362 O GLN A 90 -3.174 11.556 -3.447 1.00 0.00 O ATOM 1363 CB GLN A 90 -5.444 13.796 -3.934 1.00 0.00 C ATOM 1364 CG GLN A 90 -6.646 14.656 -3.501 1.00 0.00 C ATOM 1365 CD GLN A 90 -7.977 14.171 -4.078 1.00 0.00 C ATOM 1366 OE1 GLN A 90 -8.439 14.634 -5.114 1.00 0.00 O ATOM 1367 NE2 GLN A 90 -8.646 13.224 -3.454 1.00 0.00 N ATOM 0 H GLN A 90 -4.351 12.851 -1.579 1.00 0.00 H new ATOM 0 HA GLN A 90 -6.370 11.901 -3.536 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -4.525 14.315 -3.663 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -5.450 13.704 -5.020 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -6.709 14.658 -2.413 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -6.477 15.687 -3.812 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -8.279 12.825 -2.590 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -9.531 12.889 -3.835 1.00 0.00 H new ATOM 1376 N PRO A 91 -4.580 10.708 -4.979 1.00 0.00 N ATOM 1377 CA PRO A 91 -3.608 9.754 -5.521 1.00 0.00 C ATOM 1378 C PRO A 91 -2.442 10.455 -6.238 1.00 0.00 C ATOM 1379 O PRO A 91 -2.637 11.438 -6.959 1.00 0.00 O ATOM 1380 CB PRO A 91 -4.407 8.838 -6.453 1.00 0.00 C ATOM 1381 CG PRO A 91 -5.570 9.721 -6.907 1.00 0.00 C ATOM 1382 CD PRO A 91 -5.854 10.579 -5.674 1.00 0.00 C ATOM 0 HA PRO A 91 -3.128 9.181 -4.727 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.806 8.500 -7.297 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -4.758 7.946 -5.935 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.301 10.331 -7.769 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -6.438 9.128 -7.195 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.245 11.556 -5.959 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -6.602 10.110 -5.035 1.00 0.00 H new ATOM 1390 N VAL A 92 -1.227 9.929 -6.049 1.00 0.00 N ATOM 1391 CA VAL A 92 0.036 10.500 -6.562 1.00 0.00 C ATOM 1392 C VAL A 92 0.823 9.509 -7.426 1.00 0.00 C ATOM 1393 O VAL A 92 1.292 9.893 -8.500 1.00 0.00 O ATOM 1394 CB VAL A 92 0.889 11.032 -5.389 1.00 0.00 C ATOM 1395 CG1 VAL A 92 2.310 11.443 -5.796 1.00 0.00 C ATOM 1396 CG2 VAL A 92 0.224 12.271 -4.782 1.00 0.00 C ATOM 0 H VAL A 92 -1.085 9.069 -5.520 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.219 11.332 -7.218 1.00 0.00 H new ATOM 0 HB VAL A 92 0.957 10.206 -4.681 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.849 11.806 -4.921 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.833 10.582 -6.212 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.260 12.234 -6.545 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.830 12.641 -3.955 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.136 13.046 -5.543 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.768 12.008 -4.415 1.00 0.00 H new ATOM 1406 N LYS A 93 0.960 8.242 -7.001 1.00 0.00 N ATOM 1407 CA LYS A 93 1.691 7.202 -7.753 1.00 0.00 C ATOM 1408 C LYS A 93 1.106 5.805 -7.523 1.00 0.00 C ATOM 1409 O LYS A 93 0.551 5.545 -6.456 1.00 0.00 O ATOM 1410 CB LYS A 93 3.190 7.237 -7.377 1.00 0.00 C ATOM 1411 CG LYS A 93 4.078 6.891 -8.584 1.00 0.00 C ATOM 1412 CD LYS A 93 5.560 6.779 -8.200 1.00 0.00 C ATOM 1413 CE LYS A 93 6.492 6.879 -9.418 1.00 0.00 C ATOM 1414 NZ LYS A 93 6.236 5.832 -10.445 1.00 0.00 N ATOM 0 H LYS A 93 0.566 7.906 -6.122 1.00 0.00 H new ATOM 0 HA LYS A 93 1.582 7.420 -8.815 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.450 8.227 -7.004 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.381 6.531 -6.568 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.745 5.949 -9.020 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.960 7.656 -9.351 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.809 7.568 -7.490 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.730 5.829 -7.693 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.377 7.862 -9.875 1.00 0.00 H new ATOM 0 HE3 LYS A 93 7.526 6.803 -9.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 6.874 5.976 -11.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.406 4.892 -10.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 5.249 5.895 -10.767 1.00 0.00 H new ATOM 1428 N ARG A 94 1.256 4.899 -8.495 1.00 0.00 N ATOM 1429 CA ARG A 94 0.883 3.477 -8.378 1.00 0.00 C ATOM 1430 C ARG A 94 1.927 2.545 -9.009 1.00 0.00 C ATOM 1431 O ARG A 94 2.484 2.857 -10.062 1.00 0.00 O ATOM 1432 CB ARG A 94 -0.532 3.278 -8.951 1.00 0.00 C ATOM 1433 CG ARG A 94 -1.146 1.931 -8.536 1.00 0.00 C ATOM 1434 CD ARG A 94 -2.657 1.887 -8.792 1.00 0.00 C ATOM 1435 NE ARG A 94 -3.002 1.800 -10.225 1.00 0.00 N ATOM 1436 CZ ARG A 94 -4.226 1.758 -10.728 1.00 0.00 C ATOM 1437 NH1 ARG A 94 -5.281 1.891 -9.976 1.00 0.00 N ATOM 1438 NH2 ARG A 94 -4.418 1.569 -11.999 1.00 0.00 N ATOM 0 H ARG A 94 1.648 5.135 -9.407 1.00 0.00 H new ATOM 0 HA ARG A 94 0.866 3.199 -7.324 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -1.176 4.089 -8.611 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -0.493 3.337 -10.039 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.661 1.126 -9.088 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -0.952 1.754 -7.478 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -3.083 1.030 -8.270 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -3.117 2.779 -8.368 1.00 0.00 H new ATOM 0 HE ARG A 94 -2.227 1.769 -10.888 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -5.177 2.032 -8.971 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -6.212 1.854 -10.392 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -3.620 1.451 -12.623 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -5.367 1.539 -12.373 1.00 0.00 H new ATOM 1452 N ILE A 95 2.170 1.404 -8.362 1.00 0.00 N ATOM 1453 CA ILE A 95 3.112 0.342 -8.748 1.00 0.00 C ATOM 1454 C ILE A 95 2.367 -1.003 -8.715 1.00 0.00 C ATOM 1455 O ILE A 95 1.599 -1.243 -7.788 1.00 0.00 O ATOM 1456 CB ILE A 95 4.342 0.307 -7.797 1.00 0.00 C ATOM 1457 CG1 ILE A 95 5.008 1.684 -7.540 1.00 0.00 C ATOM 1458 CG2 ILE A 95 5.407 -0.649 -8.365 1.00 0.00 C ATOM 1459 CD1 ILE A 95 4.450 2.447 -6.328 1.00 0.00 C ATOM 0 H ILE A 95 1.683 1.178 -7.495 1.00 0.00 H new ATOM 0 HA ILE A 95 3.487 0.539 -9.753 1.00 0.00 H new ATOM 0 HB ILE A 95 3.953 -0.034 -6.837 1.00 0.00 H new ATOM 0 HG12 ILE A 95 6.078 1.535 -7.398 1.00 0.00 H new ATOM 0 HG13 ILE A 95 4.888 2.303 -8.429 1.00 0.00 H new ATOM 0 HG21 ILE A 95 6.268 -0.672 -7.697 1.00 0.00 H new ATOM 0 HG22 ILE A 95 4.987 -1.651 -8.451 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.720 -0.301 -9.349 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.973 3.397 -6.224 1.00 0.00 H new ATOM 0 HD12 ILE A 95 3.386 2.633 -6.473 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.595 1.853 -5.426 1.00 0.00 H new ATOM 1471 N VAL A 96 2.597 -1.899 -9.679 1.00 0.00 N ATOM 1472 CA VAL A 96 2.032 -3.267 -9.700 1.00 0.00 C ATOM 1473 C VAL A 96 3.114 -4.310 -10.001 1.00 0.00 C ATOM 1474 O VAL A 96 4.032 -4.066 -10.788 1.00 0.00 O ATOM 1475 CB VAL A 96 0.797 -3.373 -10.627 1.00 0.00 C ATOM 1476 CG1 VAL A 96 1.049 -2.828 -12.040 1.00 0.00 C ATOM 1477 CG2 VAL A 96 0.254 -4.801 -10.763 1.00 0.00 C ATOM 0 H VAL A 96 3.190 -1.698 -10.484 1.00 0.00 H new ATOM 0 HA VAL A 96 1.661 -3.491 -8.700 1.00 0.00 H new ATOM 0 HB VAL A 96 0.054 -2.753 -10.126 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.143 -2.933 -12.637 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.324 -1.775 -11.980 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.859 -3.389 -12.507 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.611 -4.800 -11.427 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.028 -5.447 -11.177 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.042 -5.173 -9.782 1.00 0.00 H new ATOM 1487 N GLY A 97 3.008 -5.471 -9.349 1.00 0.00 N ATOM 1488 CA GLY A 97 4.037 -6.513 -9.311 1.00 0.00 C ATOM 1489 C GLY A 97 5.101 -6.251 -8.235 1.00 0.00 C ATOM 1490 O GLY A 97 5.325 -5.115 -7.810 1.00 0.00 O ATOM 0 H GLY A 97 2.175 -5.720 -8.815 1.00 0.00 H new ATOM 0 HA2 GLY A 97 3.566 -7.478 -9.124 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.520 -6.578 -10.286 1.00 0.00 H new ATOM 1494 N ALA A 98 5.750 -7.320 -7.766 1.00 0.00 N ATOM 1495 CA ALA A 98 6.777 -7.246 -6.726 1.00 0.00 C ATOM 1496 C ALA A 98 8.087 -6.626 -7.254 1.00 0.00 C ATOM 1497 O ALA A 98 8.553 -6.969 -8.346 1.00 0.00 O ATOM 1498 CB ALA A 98 7.008 -8.654 -6.166 1.00 0.00 C ATOM 0 H ALA A 98 5.576 -8.268 -8.100 1.00 0.00 H new ATOM 0 HA ALA A 98 6.431 -6.588 -5.929 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.772 -8.616 -5.389 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.078 -9.034 -5.743 1.00 0.00 H new ATOM 0 HB3 ALA A 98 7.339 -9.315 -6.967 1.00 0.00 H new ATOM 1504 N LYS A 99 8.695 -5.739 -6.456 1.00 0.00 N ATOM 1505 CA LYS A 99 10.010 -5.115 -6.703 1.00 0.00 C ATOM 1506 C LYS A 99 10.896 -5.193 -5.456 1.00 0.00 C ATOM 1507 O LYS A 99 10.382 -5.259 -4.338 1.00 0.00 O ATOM 1508 CB LYS A 99 9.835 -3.659 -7.178 1.00 0.00 C ATOM 1509 CG LYS A 99 9.065 -3.569 -8.507 1.00 0.00 C ATOM 1510 CD LYS A 99 9.115 -2.158 -9.103 1.00 0.00 C ATOM 1511 CE LYS A 99 8.281 -2.119 -10.389 1.00 0.00 C ATOM 1512 NZ LYS A 99 8.431 -0.823 -11.094 1.00 0.00 N ATOM 0 H LYS A 99 8.271 -5.421 -5.585 1.00 0.00 H new ATOM 0 HA LYS A 99 10.512 -5.670 -7.496 1.00 0.00 H new ATOM 0 HB2 LYS A 99 9.305 -3.091 -6.414 1.00 0.00 H new ATOM 0 HB3 LYS A 99 10.815 -3.197 -7.296 1.00 0.00 H new ATOM 0 HG2 LYS A 99 9.486 -4.279 -9.219 1.00 0.00 H new ATOM 0 HG3 LYS A 99 8.027 -3.858 -8.345 1.00 0.00 H new ATOM 0 HD2 LYS A 99 8.730 -1.434 -8.385 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.146 -1.878 -9.317 1.00 0.00 H new ATOM 0 HE2 LYS A 99 8.588 -2.931 -11.048 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.231 -2.284 -10.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 7.867 -0.836 -11.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 8.099 -0.053 -10.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 9.432 -0.670 -11.330 1.00 0.00 H new ATOM 1526 N GLY A 100 12.217 -5.166 -5.635 1.00 0.00 N ATOM 1527 CA GLY A 100 13.177 -5.074 -4.538 1.00 0.00 C ATOM 1528 C GLY A 100 13.251 -3.657 -3.973 1.00 0.00 C ATOM 1529 O GLY A 100 12.780 -2.696 -4.588 1.00 0.00 O ATOM 0 H GLY A 100 12.654 -5.208 -6.556 1.00 0.00 H new ATOM 0 HA2 GLY A 100 12.893 -5.768 -3.746 1.00 0.00 H new ATOM 0 HA3 GLY A 100 14.163 -5.378 -4.890 1.00 0.00 H new ATOM 1533 N LYS A 101 13.879 -3.519 -2.801 1.00 0.00 N ATOM 1534 CA LYS A 101 14.012 -2.240 -2.077 1.00 0.00 C ATOM 1535 C LYS A 101 14.628 -1.126 -2.897 1.00 0.00 C ATOM 1536 O LYS A 101 14.227 0.019 -2.734 1.00 0.00 O ATOM 1537 CB LYS A 101 14.805 -2.450 -0.781 1.00 0.00 C ATOM 1538 CG LYS A 101 14.446 -1.368 0.252 1.00 0.00 C ATOM 1539 CD LYS A 101 15.191 -1.604 1.564 1.00 0.00 C ATOM 1540 CE LYS A 101 14.748 -0.590 2.623 1.00 0.00 C ATOM 1541 NZ LYS A 101 15.517 -0.809 3.871 1.00 0.00 N ATOM 0 H LYS A 101 14.318 -4.302 -2.317 1.00 0.00 H new ATOM 0 HA LYS A 101 12.997 -1.914 -1.849 1.00 0.00 H new ATOM 0 HB2 LYS A 101 14.590 -3.437 -0.372 1.00 0.00 H new ATOM 0 HB3 LYS A 101 15.874 -2.419 -0.993 1.00 0.00 H new ATOM 0 HG2 LYS A 101 14.698 -0.384 -0.143 1.00 0.00 H new ATOM 0 HG3 LYS A 101 13.371 -1.373 0.433 1.00 0.00 H new ATOM 0 HD2 LYS A 101 15.001 -2.617 1.920 1.00 0.00 H new ATOM 0 HD3 LYS A 101 16.265 -1.520 1.399 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.907 0.425 2.259 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.681 -0.695 2.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 15.396 0.009 4.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 15.170 -1.667 4.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 16.525 -0.924 3.642 1.00 0.00 H new ATOM 1555 N ALA A 102 15.550 -1.453 -3.795 1.00 0.00 N ATOM 1556 CA ALA A 102 16.183 -0.444 -4.639 1.00 0.00 C ATOM 1557 C ALA A 102 15.140 0.272 -5.518 1.00 0.00 C ATOM 1558 O ALA A 102 14.969 1.485 -5.408 1.00 0.00 O ATOM 1559 CB ALA A 102 17.305 -1.098 -5.456 1.00 0.00 C ATOM 0 H ALA A 102 15.876 -2.406 -3.958 1.00 0.00 H new ATOM 0 HA ALA A 102 16.633 0.330 -4.017 1.00 0.00 H new ATOM 0 HB1 ALA A 102 17.780 -0.347 -6.088 1.00 0.00 H new ATOM 0 HB2 ALA A 102 18.046 -1.525 -4.780 1.00 0.00 H new ATOM 0 HB3 ALA A 102 16.887 -1.887 -6.082 1.00 0.00 H new ATOM 1565 N ALA A 103 14.366 -0.469 -6.317 1.00 0.00 N ATOM 1566 CA ALA A 103 13.363 0.117 -7.206 1.00 0.00 C ATOM 1567 C ALA A 103 12.094 0.585 -6.468 1.00 0.00 C ATOM 1568 O ALA A 103 11.576 1.660 -6.793 1.00 0.00 O ATOM 1569 CB ALA A 103 13.049 -0.893 -8.316 1.00 0.00 C ATOM 0 H ALA A 103 14.418 -1.487 -6.365 1.00 0.00 H new ATOM 0 HA ALA A 103 13.776 1.027 -7.643 1.00 0.00 H new ATOM 0 HB1 ALA A 103 12.302 -0.473 -8.989 1.00 0.00 H new ATOM 0 HB2 ALA A 103 13.958 -1.114 -8.875 1.00 0.00 H new ATOM 0 HB3 ALA A 103 12.663 -1.811 -7.874 1.00 0.00 H new ATOM 1575 N LEU A 104 11.608 -0.140 -5.441 1.00 0.00 N ATOM 1576 CA LEU A 104 10.460 0.353 -4.680 1.00 0.00 C ATOM 1577 C LEU A 104 10.822 1.631 -3.908 1.00 0.00 C ATOM 1578 O LEU A 104 10.016 2.559 -3.870 1.00 0.00 O ATOM 1579 CB LEU A 104 9.875 -0.756 -3.789 1.00 0.00 C ATOM 1580 CG LEU A 104 8.577 -0.335 -3.065 1.00 0.00 C ATOM 1581 CD1 LEU A 104 7.478 0.159 -4.012 1.00 0.00 C ATOM 1582 CD2 LEU A 104 8.005 -1.514 -2.280 1.00 0.00 C ATOM 0 H LEU A 104 11.982 -1.037 -5.132 1.00 0.00 H new ATOM 0 HA LEU A 104 9.668 0.633 -5.375 1.00 0.00 H new ATOM 0 HB2 LEU A 104 9.673 -1.636 -4.400 1.00 0.00 H new ATOM 0 HB3 LEU A 104 10.619 -1.047 -3.047 1.00 0.00 H new ATOM 0 HG LEU A 104 8.864 0.489 -2.411 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.597 0.437 -3.433 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.837 1.027 -4.565 1.00 0.00 H new ATOM 0 HD13 LEU A 104 7.217 -0.635 -4.712 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.090 -1.205 -1.774 1.00 0.00 H new ATOM 0 HD22 LEU A 104 7.782 -2.333 -2.964 1.00 0.00 H new ATOM 0 HD23 LEU A 104 8.734 -1.847 -1.541 1.00 0.00 H new ATOM 1594 N LEU A 105 12.051 1.751 -3.386 1.00 0.00 N ATOM 1595 CA LEU A 105 12.512 3.013 -2.815 1.00 0.00 C ATOM 1596 C LEU A 105 12.841 4.066 -3.875 1.00 0.00 C ATOM 1597 O LEU A 105 12.675 5.220 -3.540 1.00 0.00 O ATOM 1598 CB LEU A 105 13.632 2.843 -1.774 1.00 0.00 C ATOM 1599 CG LEU A 105 13.869 4.099 -0.895 1.00 0.00 C ATOM 1600 CD1 LEU A 105 12.622 4.605 -0.158 1.00 0.00 C ATOM 1601 CD2 LEU A 105 14.910 3.754 0.171 1.00 0.00 C ATOM 0 H LEU A 105 12.734 0.994 -3.350 1.00 0.00 H new ATOM 0 HA LEU A 105 11.658 3.403 -2.261 1.00 0.00 H new ATOM 0 HB2 LEU A 105 13.389 2.000 -1.128 1.00 0.00 H new ATOM 0 HB3 LEU A 105 14.559 2.592 -2.290 1.00 0.00 H new ATOM 0 HG LEU A 105 14.187 4.887 -1.577 1.00 0.00 H new ATOM 0 HD11 LEU A 105 12.880 5.485 0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 105 11.852 4.867 -0.883 1.00 0.00 H new ATOM 0 HD13 LEU A 105 12.247 3.823 0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 105 15.090 4.626 0.800 1.00 0.00 H new ATOM 0 HD22 LEU A 105 14.542 2.933 0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 105 15.841 3.457 -0.312 1.00 0.00 H new ATOM 1613 N ARG A 106 13.185 3.783 -5.143 1.00 0.00 N ATOM 1614 CA ARG A 106 13.138 4.846 -6.184 1.00 0.00 C ATOM 1615 C ARG A 106 11.728 5.454 -6.265 1.00 0.00 C ATOM 1616 O ARG A 106 11.531 6.664 -6.090 1.00 0.00 O ATOM 1617 CB ARG A 106 13.563 4.327 -7.575 1.00 0.00 C ATOM 1618 CG ARG A 106 15.055 3.995 -7.693 1.00 0.00 C ATOM 1619 CD ARG A 106 15.392 3.441 -9.082 1.00 0.00 C ATOM 1620 NE ARG A 106 16.819 3.077 -9.181 1.00 0.00 N ATOM 1621 CZ ARG A 106 17.433 2.568 -10.235 1.00 0.00 C ATOM 1622 NH1 ARG A 106 16.809 2.327 -11.354 1.00 0.00 N ATOM 1623 NH2 ARG A 106 18.704 2.289 -10.185 1.00 0.00 N ATOM 0 H ARG A 106 13.489 2.867 -5.472 1.00 0.00 H new ATOM 0 HA ARG A 106 13.853 5.613 -5.886 1.00 0.00 H new ATOM 0 HB2 ARG A 106 12.984 3.434 -7.810 1.00 0.00 H new ATOM 0 HB3 ARG A 106 13.309 5.077 -8.324 1.00 0.00 H new ATOM 0 HG2 ARG A 106 15.646 4.891 -7.503 1.00 0.00 H new ATOM 0 HG3 ARG A 106 15.329 3.265 -6.931 1.00 0.00 H new ATOM 0 HD2 ARG A 106 14.776 2.565 -9.286 1.00 0.00 H new ATOM 0 HD3 ARG A 106 15.150 4.185 -9.841 1.00 0.00 H new ATOM 0 HE ARG A 106 17.390 3.234 -8.351 1.00 0.00 H new ATOM 0 HH11 ARG A 106 15.813 2.532 -11.437 1.00 0.00 H new ATOM 0 HH12 ARG A 106 17.317 1.934 -12.146 1.00 0.00 H new ATOM 0 HH21 ARG A 106 19.231 2.463 -9.329 1.00 0.00 H new ATOM 0 HH22 ARG A 106 19.172 1.896 -11.002 1.00 0.00 H new ATOM 1637 N GLU A 107 10.733 4.585 -6.453 1.00 0.00 N ATOM 1638 CA GLU A 107 9.344 5.006 -6.674 1.00 0.00 C ATOM 1639 C GLU A 107 8.679 5.646 -5.442 1.00 0.00 C ATOM 1640 O GLU A 107 7.793 6.486 -5.607 1.00 0.00 O ATOM 1641 CB GLU A 107 8.519 3.840 -7.239 1.00 0.00 C ATOM 1642 CG GLU A 107 9.014 3.469 -8.645 1.00 0.00 C ATOM 1643 CD GLU A 107 7.979 2.638 -9.410 1.00 0.00 C ATOM 1644 OE1 GLU A 107 7.019 3.244 -9.943 1.00 0.00 O ATOM 1645 OE2 GLU A 107 8.142 1.401 -9.518 1.00 0.00 O ATOM 0 H GLU A 107 10.864 3.573 -6.457 1.00 0.00 H new ATOM 0 HA GLU A 107 9.373 5.806 -7.414 1.00 0.00 H new ATOM 0 HB2 GLU A 107 8.598 2.976 -6.579 1.00 0.00 H new ATOM 0 HB3 GLU A 107 7.465 4.116 -7.278 1.00 0.00 H new ATOM 0 HG2 GLU A 107 9.236 4.378 -9.204 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.945 2.908 -8.567 1.00 0.00 H new ATOM 1652 N LEU A 108 9.124 5.316 -4.224 1.00 0.00 N ATOM 1653 CA LEU A 108 8.691 5.975 -2.983 1.00 0.00 C ATOM 1654 C LEU A 108 9.613 7.126 -2.548 1.00 0.00 C ATOM 1655 O LEU A 108 9.139 8.074 -1.928 1.00 0.00 O ATOM 1656 CB LEU A 108 8.497 4.922 -1.877 1.00 0.00 C ATOM 1657 CG LEU A 108 7.429 3.864 -2.222 1.00 0.00 C ATOM 1658 CD1 LEU A 108 7.324 2.822 -1.110 1.00 0.00 C ATOM 1659 CD2 LEU A 108 6.035 4.461 -2.411 1.00 0.00 C ATOM 0 H LEU A 108 9.805 4.573 -4.069 1.00 0.00 H new ATOM 0 HA LEU A 108 7.732 6.454 -3.179 1.00 0.00 H new ATOM 0 HB2 LEU A 108 9.447 4.422 -1.691 1.00 0.00 H new ATOM 0 HB3 LEU A 108 8.215 5.425 -0.952 1.00 0.00 H new ATOM 0 HG LEU A 108 7.756 3.417 -3.161 1.00 0.00 H new ATOM 0 HD11 LEU A 108 6.565 2.085 -1.373 1.00 0.00 H new ATOM 0 HD12 LEU A 108 8.286 2.324 -0.986 1.00 0.00 H new ATOM 0 HD13 LEU A 108 7.046 3.312 -0.177 1.00 0.00 H new ATOM 0 HD21 LEU A 108 5.329 3.667 -2.652 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.724 4.957 -1.492 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.057 5.186 -3.225 1.00 0.00 H new ATOM 1671 N SER A 109 10.892 7.125 -2.929 1.00 0.00 N ATOM 1672 CA SER A 109 11.823 8.257 -2.734 1.00 0.00 C ATOM 1673 C SER A 109 11.435 9.464 -3.600 1.00 0.00 C ATOM 1674 O SER A 109 11.718 10.608 -3.241 1.00 0.00 O ATOM 1675 CB SER A 109 13.292 7.898 -2.988 1.00 0.00 C ATOM 1676 OG SER A 109 14.147 8.989 -2.709 1.00 0.00 O ATOM 0 H SER A 109 11.326 6.326 -3.391 1.00 0.00 H new ATOM 0 HA SER A 109 11.730 8.518 -1.680 1.00 0.00 H new ATOM 0 HB2 SER A 109 13.572 7.047 -2.368 1.00 0.00 H new ATOM 0 HB3 SER A 109 13.419 7.591 -4.026 1.00 0.00 H new ATOM 0 HG SER A 109 13.903 9.383 -1.846 1.00 0.00 H new ATOM 1682 N ASP A 110 10.671 9.241 -4.680 1.00 0.00 N ATOM 1683 CA ASP A 110 9.920 10.316 -5.357 1.00 0.00 C ATOM 1684 C ASP A 110 9.077 11.193 -4.389 1.00 0.00 C ATOM 1685 O ASP A 110 8.845 12.373 -4.664 1.00 0.00 O ATOM 1686 CB ASP A 110 9.021 9.680 -6.426 1.00 0.00 C ATOM 1687 CG ASP A 110 8.397 10.735 -7.357 1.00 0.00 C ATOM 1688 OD1 ASP A 110 9.148 11.378 -8.129 1.00 0.00 O ATOM 1689 OD2 ASP A 110 7.154 10.900 -7.343 1.00 0.00 O ATOM 0 H ASP A 110 10.555 8.322 -5.107 1.00 0.00 H new ATOM 0 HA ASP A 110 10.645 10.994 -5.808 1.00 0.00 H new ATOM 0 HB2 ASP A 110 9.605 8.974 -7.017 1.00 0.00 H new ATOM 0 HB3 ASP A 110 8.228 9.110 -5.941 1.00 0.00 H new ATOM 1694 N VAL A 111 8.676 10.644 -3.231 1.00 0.00 N ATOM 1695 CA VAL A 111 8.010 11.320 -2.101 1.00 0.00 C ATOM 1696 C VAL A 111 8.916 11.416 -0.852 1.00 0.00 C ATOM 1697 O VAL A 111 8.761 12.345 -0.058 1.00 0.00 O ATOM 1698 CB VAL A 111 6.688 10.578 -1.817 1.00 0.00 C ATOM 1699 CG1 VAL A 111 5.978 11.042 -0.542 1.00 0.00 C ATOM 1700 CG2 VAL A 111 5.708 10.774 -2.983 1.00 0.00 C ATOM 0 H VAL A 111 8.817 9.651 -3.045 1.00 0.00 H new ATOM 0 HA VAL A 111 7.797 12.355 -2.368 1.00 0.00 H new ATOM 0 HB VAL A 111 6.969 9.532 -1.690 1.00 0.00 H new ATOM 0 HG11 VAL A 111 5.057 10.474 -0.411 1.00 0.00 H new ATOM 0 HG12 VAL A 111 6.630 10.880 0.317 1.00 0.00 H new ATOM 0 HG13 VAL A 111 5.741 12.103 -0.623 1.00 0.00 H new ATOM 0 HG21 VAL A 111 4.779 10.245 -2.770 1.00 0.00 H new ATOM 0 HG22 VAL A 111 5.500 11.837 -3.109 1.00 0.00 H new ATOM 0 HG23 VAL A 111 6.148 10.379 -3.899 1.00 0.00 H new ATOM 1710 N VAL A 112 9.893 10.511 -0.690 1.00 0.00 N ATOM 1711 CA VAL A 112 10.891 10.457 0.404 1.00 0.00 C ATOM 1712 C VAL A 112 12.315 10.746 -0.124 1.00 0.00 C ATOM 1713 O VAL A 112 13.150 9.840 -0.187 1.00 0.00 O ATOM 1714 CB VAL A 112 10.805 9.112 1.178 1.00 0.00 C ATOM 1715 CG1 VAL A 112 11.613 9.190 2.482 1.00 0.00 C ATOM 1716 CG2 VAL A 112 9.362 8.761 1.572 1.00 0.00 C ATOM 0 H VAL A 112 10.020 9.749 -1.356 1.00 0.00 H new ATOM 0 HA VAL A 112 10.655 11.246 1.119 1.00 0.00 H new ATOM 0 HB VAL A 112 11.201 8.351 0.506 1.00 0.00 H new ATOM 0 HG11 VAL A 112 11.542 8.240 3.011 1.00 0.00 H new ATOM 0 HG12 VAL A 112 12.657 9.399 2.251 1.00 0.00 H new ATOM 0 HG13 VAL A 112 11.214 9.986 3.110 1.00 0.00 H new ATOM 0 HG21 VAL A 112 9.352 7.813 2.110 1.00 0.00 H new ATOM 0 HG22 VAL A 112 8.958 9.546 2.211 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.750 8.674 0.674 1.00 0.00 H new