USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 613 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 34 CYS SG : rot 61:sc= 0.149 USER MOD Set 1.2: A 73 LYS NZ :NH3+ -162:sc= 1.24 (180deg=0.69) USER MOD Single : A 14 LYS NZ :NH3+ -174:sc= 1.21 (180deg=1.05) USER MOD Single : A 21 SER OG : rot 180:sc= -0.077 USER MOD Single : A 22 CYS SG : rot 180:sc= -0.088 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0.68 K(o=0.68,f=-0.034) USER MOD Single : A 29 ASN : amide:sc= 1.15 K(o=1.1,f=-0.0087) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HE2:sc= 0.272 K(o=0.27,f=-0.97) USER MOD Single : A 44 HIS : no HE2:sc= -0.154 X(o=-0.15,f=-0.59) USER MOD Single : A 63 SER OG : rot 180:sc= -0.0284 USER MOD Single : A 68 LYS NZ :NH3+ -116:sc= 0.602 (180deg=0) USER MOD Single : A 69 MET CE :methyl -169:sc= -0.0794 (180deg=-0.548) USER MOD Single : A 72 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.146) USER MOD Single : A 77 SER OG : rot 56:sc= 0.906 USER MOD Single : A 78 MET CE :methyl 162:sc= -1.07 (180deg=-1.53!) USER MOD Single : A 80 HIS : no HD1:sc= -0.09 X(o=-0.09,f=-0.09) USER MOD Single : A 82 TYR OH : rot -20:sc= 0.185 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0.0953 USER MOD Single : A 89 HIS : no HD1:sc= -0.893 K(o=-0.89,f=-1.6) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -160:sc= -0.078 (180deg=-0.603) USER MOD Single : A 98 LYS NZ :NH3+ 147:sc= 0.197 (180deg=0.0058) USER MOD ----------------------------------------------------------------- ATOM 126 N PHE A 11 -12.386 -3.476 2.635 1.00 0.00 N ATOM 127 CA PHE A 11 -12.228 -3.160 1.223 1.00 0.00 C ATOM 128 C PHE A 11 -11.012 -2.259 1.026 1.00 0.00 C ATOM 129 O PHE A 11 -11.104 -1.184 0.437 1.00 0.00 O ATOM 130 CB PHE A 11 -13.505 -2.506 0.697 1.00 0.00 C ATOM 131 CG PHE A 11 -14.773 -3.255 1.050 1.00 0.00 C ATOM 132 CD1 PHE A 11 -14.769 -4.655 1.138 1.00 0.00 C ATOM 133 CD2 PHE A 11 -15.957 -2.544 1.292 1.00 0.00 C ATOM 134 CE1 PHE A 11 -15.946 -5.341 1.466 1.00 0.00 C ATOM 135 CE2 PHE A 11 -17.134 -3.230 1.623 1.00 0.00 C ATOM 136 CZ PHE A 11 -17.128 -4.629 1.711 1.00 0.00 C ATOM 0 HA PHE A 11 -12.060 -4.075 0.656 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -13.572 -1.493 1.094 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -13.436 -2.420 -0.387 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.858 -5.205 0.953 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -15.962 -1.466 1.223 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -15.942 -6.419 1.530 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -18.045 -2.681 1.810 1.00 0.00 H new ATOM 0 HZ PHE A 11 -18.034 -5.158 1.968 1.00 0.00 H new ATOM 146 N VAL A 12 -9.865 -2.712 1.529 1.00 0.00 N ATOM 147 CA VAL A 12 -8.618 -1.966 1.474 1.00 0.00 C ATOM 148 C VAL A 12 -7.514 -2.908 1.016 1.00 0.00 C ATOM 149 O VAL A 12 -7.586 -4.113 1.252 1.00 0.00 O ATOM 150 CB VAL A 12 -8.313 -1.384 2.861 1.00 0.00 C ATOM 151 CG1 VAL A 12 -6.956 -0.681 2.903 1.00 0.00 C ATOM 152 CG2 VAL A 12 -9.387 -0.371 3.259 1.00 0.00 C ATOM 0 H VAL A 12 -9.779 -3.618 1.990 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.691 -1.138 0.769 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.298 -2.223 3.557 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.782 -0.285 3.903 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.169 -1.393 2.653 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.947 0.137 2.182 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.158 0.034 4.245 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.411 0.439 2.531 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.359 -0.863 3.286 1.00 0.00 H new ATOM 162 N VAL A 13 -6.490 -2.358 0.362 1.00 0.00 N ATOM 163 CA VAL A 13 -5.355 -3.149 -0.096 1.00 0.00 C ATOM 164 C VAL A 13 -4.046 -2.403 0.119 1.00 0.00 C ATOM 165 O VAL A 13 -4.025 -1.183 0.271 1.00 0.00 O ATOM 166 CB VAL A 13 -5.508 -3.526 -1.577 1.00 0.00 C ATOM 167 CG1 VAL A 13 -6.723 -4.429 -1.781 1.00 0.00 C ATOM 168 CG2 VAL A 13 -5.641 -2.290 -2.467 1.00 0.00 C ATOM 0 H VAL A 13 -6.427 -1.365 0.139 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.334 -4.064 0.495 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.603 -4.061 -1.864 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.813 -4.684 -2.837 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.601 -5.341 -1.196 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.623 -3.907 -1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.747 -2.600 -3.507 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.519 -1.719 -2.167 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.751 -1.669 -2.363 1.00 0.00 H new ATOM 178 N LYS A 14 -2.948 -3.159 0.129 1.00 0.00 N ATOM 179 CA LYS A 14 -1.604 -2.620 0.251 1.00 0.00 C ATOM 180 C LYS A 14 -1.055 -2.343 -1.144 1.00 0.00 C ATOM 181 O LYS A 14 -1.600 -2.832 -2.132 1.00 0.00 O ATOM 182 CB LYS A 14 -0.701 -3.624 0.976 1.00 0.00 C ATOM 183 CG LYS A 14 -1.427 -4.291 2.147 1.00 0.00 C ATOM 184 CD LYS A 14 -0.456 -5.131 2.975 1.00 0.00 C ATOM 185 CE LYS A 14 -1.254 -6.020 3.927 1.00 0.00 C ATOM 186 NZ LYS A 14 -0.366 -6.731 4.865 1.00 0.00 N ATOM 0 H LYS A 14 -2.973 -4.176 0.051 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.631 -1.695 0.827 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.366 -4.387 0.273 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.190 -3.114 1.342 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.887 -3.530 2.778 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.232 -4.922 1.771 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.165 -5.743 2.321 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.216 -4.484 3.539 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.965 -5.412 4.486 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.834 -6.743 3.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.924 -7.402 5.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.360 -7.249 4.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.093 -6.044 5.497 1.00 0.00 H new ATOM 200 N LEU A 15 0.021 -1.561 -1.224 1.00 0.00 N ATOM 201 CA LEU A 15 0.674 -1.220 -2.472 1.00 0.00 C ATOM 202 C LEU A 15 2.177 -1.175 -2.212 1.00 0.00 C ATOM 203 O LEU A 15 2.607 -0.680 -1.172 1.00 0.00 O ATOM 204 CB LEU A 15 0.141 0.155 -2.875 1.00 0.00 C ATOM 205 CG LEU A 15 0.117 0.436 -4.377 1.00 0.00 C ATOM 206 CD1 LEU A 15 1.463 0.200 -5.055 1.00 0.00 C ATOM 207 CD2 LEU A 15 -0.944 -0.419 -5.064 1.00 0.00 C ATOM 0 H LEU A 15 0.465 -1.144 -0.406 1.00 0.00 H new ATOM 0 HA LEU A 15 0.481 -1.939 -3.268 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.872 0.261 -2.487 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.750 0.918 -2.390 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.122 1.494 -4.481 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.377 0.418 -6.120 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.214 0.853 -4.610 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.761 -0.840 -4.920 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.947 -0.206 -6.133 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.720 -1.474 -4.905 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.924 -0.189 -4.645 1.00 0.00 H new ATOM 219 N ARG A 16 2.976 -1.687 -3.149 1.00 0.00 N ATOM 220 CA ARG A 16 4.425 -1.697 -3.020 1.00 0.00 C ATOM 221 C ARG A 16 5.066 -1.492 -4.383 1.00 0.00 C ATOM 222 O ARG A 16 4.489 -1.872 -5.402 1.00 0.00 O ATOM 223 CB ARG A 16 4.904 -3.045 -2.470 1.00 0.00 C ATOM 224 CG ARG A 16 4.257 -3.459 -1.149 1.00 0.00 C ATOM 225 CD ARG A 16 4.854 -4.811 -0.760 1.00 0.00 C ATOM 226 NE ARG A 16 4.308 -5.313 0.505 1.00 0.00 N ATOM 227 CZ ARG A 16 4.443 -6.581 0.904 1.00 0.00 C ATOM 228 NH1 ARG A 16 5.075 -7.466 0.136 1.00 0.00 N ATOM 229 NH2 ARG A 16 3.948 -6.970 2.076 1.00 0.00 N ATOM 0 H ARG A 16 2.634 -2.104 -4.015 1.00 0.00 H new ATOM 0 HA ARG A 16 4.710 -0.895 -2.339 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.707 -3.817 -3.214 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.985 -3.003 -2.333 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.451 -2.716 -0.376 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.175 -3.532 -1.257 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.658 -5.534 -1.551 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.937 -4.718 -0.675 1.00 0.00 H new ATOM 0 HE ARG A 16 3.802 -4.664 1.108 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.460 -7.178 -0.763 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.174 -8.432 0.447 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.464 -6.300 2.673 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.053 -7.939 2.378 1.00 0.00 H new ATOM 243 N GLY A 17 6.259 -0.895 -4.409 1.00 0.00 N ATOM 244 CA GLY A 17 7.024 -0.790 -5.639 1.00 0.00 C ATOM 245 C GLY A 17 7.544 0.608 -5.918 1.00 0.00 C ATOM 246 O GLY A 17 7.680 1.420 -5.004 1.00 0.00 O ATOM 0 H GLY A 17 6.709 -0.481 -3.593 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.867 -1.479 -5.591 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.399 -1.109 -6.473 1.00 0.00 H new ATOM 250 N LEU A 18 7.830 0.854 -7.203 1.00 0.00 N ATOM 251 CA LEU A 18 8.424 2.076 -7.727 1.00 0.00 C ATOM 252 C LEU A 18 9.818 2.332 -7.142 1.00 0.00 C ATOM 253 O LEU A 18 10.096 1.932 -6.015 1.00 0.00 O ATOM 254 CB LEU A 18 7.473 3.256 -7.503 1.00 0.00 C ATOM 255 CG LEU A 18 6.104 3.111 -8.182 1.00 0.00 C ATOM 256 CD1 LEU A 18 6.254 2.841 -9.679 1.00 0.00 C ATOM 257 CD2 LEU A 18 5.213 2.039 -7.550 1.00 0.00 C ATOM 0 H LEU A 18 7.642 0.169 -7.935 1.00 0.00 H new ATOM 0 HA LEU A 18 8.569 1.957 -8.801 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.321 3.385 -6.431 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.951 4.165 -7.868 1.00 0.00 H new ATOM 0 HG LEU A 18 5.605 4.068 -8.030 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.267 2.743 -10.132 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.787 3.669 -10.146 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.815 1.918 -9.828 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.263 1.995 -8.083 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.709 1.071 -7.612 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.031 2.287 -6.504 1.00 0.00 H new ATOM 269 N PRO A 19 10.703 2.999 -7.897 1.00 0.00 N ATOM 270 CA PRO A 19 12.108 3.179 -7.564 1.00 0.00 C ATOM 271 C PRO A 19 12.359 3.501 -6.094 1.00 0.00 C ATOM 272 O PRO A 19 13.153 2.814 -5.455 1.00 0.00 O ATOM 273 CB PRO A 19 12.599 4.287 -8.496 1.00 0.00 C ATOM 274 CG PRO A 19 11.745 4.067 -9.743 1.00 0.00 C ATOM 275 CD PRO A 19 10.400 3.628 -9.165 1.00 0.00 C ATOM 0 HA PRO A 19 12.658 2.249 -7.707 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.445 5.277 -8.067 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.664 4.195 -8.711 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.652 4.978 -10.335 1.00 0.00 H new ATOM 0 HG3 PRO A 19 12.172 3.305 -10.395 1.00 0.00 H new ATOM 0 HD2 PRO A 19 9.735 4.481 -9.029 1.00 0.00 H new ATOM 0 HD3 PRO A 19 9.894 2.933 -9.835 1.00 0.00 H new ATOM 283 N TRP A 20 11.691 4.531 -5.561 1.00 0.00 N ATOM 284 CA TRP A 20 11.757 4.886 -4.147 1.00 0.00 C ATOM 285 C TRP A 20 10.554 5.734 -3.727 1.00 0.00 C ATOM 286 O TRP A 20 10.377 5.991 -2.537 1.00 0.00 O ATOM 287 CB TRP A 20 13.031 5.686 -3.844 1.00 0.00 C ATOM 288 CG TRP A 20 14.329 4.937 -3.760 1.00 0.00 C ATOM 289 CD1 TRP A 20 15.517 5.406 -4.200 1.00 0.00 C ATOM 290 CD2 TRP A 20 14.617 3.611 -3.210 1.00 0.00 C ATOM 291 NE1 TRP A 20 16.509 4.478 -3.969 1.00 0.00 N ATOM 292 CE2 TRP A 20 16.012 3.352 -3.346 1.00 0.00 C ATOM 293 CE3 TRP A 20 13.852 2.608 -2.586 1.00 0.00 C ATOM 294 CZ2 TRP A 20 16.606 2.173 -2.880 1.00 0.00 C ATOM 295 CZ3 TRP A 20 14.444 1.433 -2.111 1.00 0.00 C ATOM 296 CH2 TRP A 20 15.810 1.203 -2.274 1.00 0.00 C ATOM 0 H TRP A 20 11.086 5.144 -6.107 1.00 0.00 H new ATOM 0 HA TRP A 20 11.758 3.950 -3.588 1.00 0.00 H new ATOM 0 HB2 TRP A 20 13.136 6.451 -4.613 1.00 0.00 H new ATOM 0 HB3 TRP A 20 12.883 6.205 -2.897 1.00 0.00 H new ATOM 0 HD1 TRP A 20 15.667 6.369 -4.665 1.00 0.00 H new ATOM 0 HE1 TRP A 20 17.488 4.607 -4.226 1.00 0.00 H new ATOM 0 HE3 TRP A 20 12.787 2.748 -2.472 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 17.669 2.017 -2.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 13.835 0.694 -1.611 1.00 0.00 H new ATOM 0 HH2 TRP A 20 16.249 0.277 -1.932 1.00 0.00 H new ATOM 307 N SER A 21 9.725 6.174 -4.679 1.00 0.00 N ATOM 308 CA SER A 21 8.587 7.029 -4.379 1.00 0.00 C ATOM 309 C SER A 21 7.517 6.903 -5.462 1.00 0.00 C ATOM 310 O SER A 21 7.760 6.316 -6.516 1.00 0.00 O ATOM 311 CB SER A 21 9.070 8.477 -4.277 1.00 0.00 C ATOM 312 OG SER A 21 8.023 9.315 -3.835 1.00 0.00 O ATOM 0 H SER A 21 9.828 5.947 -5.668 1.00 0.00 H new ATOM 0 HA SER A 21 8.143 6.721 -3.432 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.910 8.539 -3.586 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.430 8.816 -5.248 1.00 0.00 H new ATOM 0 HG SER A 21 8.347 10.238 -3.773 1.00 0.00 H new ATOM 318 N CYS A 22 6.333 7.457 -5.196 1.00 0.00 N ATOM 319 CA CYS A 22 5.193 7.401 -6.097 1.00 0.00 C ATOM 320 C CYS A 22 4.259 8.576 -5.793 1.00 0.00 C ATOM 321 O CYS A 22 4.515 9.348 -4.869 1.00 0.00 O ATOM 322 CB CYS A 22 4.485 6.057 -5.887 1.00 0.00 C ATOM 323 SG CYS A 22 3.267 5.766 -7.198 1.00 0.00 S ATOM 0 H CYS A 22 6.142 7.965 -4.332 1.00 0.00 H new ATOM 0 HA CYS A 22 5.506 7.478 -7.138 1.00 0.00 H new ATOM 0 HB2 CYS A 22 5.218 5.251 -5.879 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.991 6.048 -4.915 1.00 0.00 H new ATOM 0 HG CYS A 22 2.682 4.622 -7.001 1.00 0.00 H new ATOM 329 N SER A 23 3.177 8.717 -6.563 1.00 0.00 N ATOM 330 CA SER A 23 2.200 9.780 -6.371 1.00 0.00 C ATOM 331 C SER A 23 0.793 9.214 -6.518 1.00 0.00 C ATOM 332 O SER A 23 0.604 8.147 -7.103 1.00 0.00 O ATOM 333 CB SER A 23 2.432 10.902 -7.382 1.00 0.00 C ATOM 334 OG SER A 23 3.740 11.420 -7.247 1.00 0.00 O ATOM 0 H SER A 23 2.957 8.092 -7.339 1.00 0.00 H new ATOM 0 HA SER A 23 2.314 10.193 -5.369 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.285 10.525 -8.394 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.701 11.696 -7.229 1.00 0.00 H new ATOM 0 HG SER A 23 3.877 12.137 -7.901 1.00 0.00 H new ATOM 340 N VAL A 24 -0.201 9.930 -5.986 1.00 0.00 N ATOM 341 CA VAL A 24 -1.566 9.429 -5.928 1.00 0.00 C ATOM 342 C VAL A 24 -2.184 9.267 -7.315 1.00 0.00 C ATOM 343 O VAL A 24 -3.165 8.542 -7.466 1.00 0.00 O ATOM 344 CB VAL A 24 -2.445 10.302 -5.016 1.00 0.00 C ATOM 345 CG1 VAL A 24 -1.623 11.229 -4.121 1.00 0.00 C ATOM 346 CG2 VAL A 24 -3.449 11.153 -5.783 1.00 0.00 C ATOM 0 H VAL A 24 -0.079 10.862 -5.589 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.519 8.433 -5.489 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.987 9.583 -4.401 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.293 11.822 -3.498 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.968 10.634 -3.485 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.021 11.893 -4.741 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.037 11.744 -5.081 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.917 11.819 -6.462 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.112 10.505 -6.356 1.00 0.00 H new ATOM 356 N GLU A 25 -1.625 9.931 -8.332 1.00 0.00 N ATOM 357 CA GLU A 25 -2.157 9.852 -9.684 1.00 0.00 C ATOM 358 C GLU A 25 -1.605 8.642 -10.431 1.00 0.00 C ATOM 359 O GLU A 25 -2.258 8.139 -11.342 1.00 0.00 O ATOM 360 CB GLU A 25 -1.798 11.125 -10.449 1.00 0.00 C ATOM 361 CG GLU A 25 -2.406 12.353 -9.771 1.00 0.00 C ATOM 362 CD GLU A 25 -2.154 13.611 -10.600 1.00 0.00 C ATOM 363 OE1 GLU A 25 -1.089 14.236 -10.395 1.00 0.00 O ATOM 364 OE2 GLU A 25 -3.027 13.941 -11.435 1.00 0.00 O ATOM 0 H GLU A 25 -0.803 10.528 -8.238 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.240 9.746 -9.615 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.714 11.231 -10.500 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.160 11.053 -11.475 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.478 12.208 -9.639 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.976 12.475 -8.777 1.00 0.00 H new ATOM 371 N ASP A 26 -0.413 8.168 -10.058 1.00 0.00 N ATOM 372 CA ASP A 26 0.168 6.999 -10.700 1.00 0.00 C ATOM 373 C ASP A 26 -0.425 5.734 -10.096 1.00 0.00 C ATOM 374 O ASP A 26 -0.634 4.749 -10.802 1.00 0.00 O ATOM 375 CB ASP A 26 1.685 7.012 -10.510 1.00 0.00 C ATOM 376 CG ASP A 26 2.321 8.195 -11.234 1.00 0.00 C ATOM 377 OD1 ASP A 26 2.352 8.158 -12.485 1.00 0.00 O ATOM 378 OD2 ASP A 26 2.772 9.127 -10.532 1.00 0.00 O ATOM 0 H ASP A 26 0.160 8.576 -9.320 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.057 7.020 -11.766 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.921 7.063 -9.447 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.109 6.081 -10.886 1.00 0.00 H new ATOM 383 N VAL A 27 -0.703 5.745 -8.790 1.00 0.00 N ATOM 384 CA VAL A 27 -1.281 4.578 -8.146 1.00 0.00 C ATOM 385 C VAL A 27 -2.718 4.375 -8.622 1.00 0.00 C ATOM 386 O VAL A 27 -3.126 3.240 -8.849 1.00 0.00 O ATOM 387 CB VAL A 27 -1.168 4.720 -6.625 1.00 0.00 C ATOM 388 CG1 VAL A 27 -1.995 5.890 -6.104 1.00 0.00 C ATOM 389 CG2 VAL A 27 -1.614 3.446 -5.917 1.00 0.00 C ATOM 0 H VAL A 27 -0.538 6.539 -8.171 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.729 3.681 -8.426 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.116 4.906 -6.409 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.888 5.957 -5.021 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.645 6.815 -6.561 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.044 5.735 -6.356 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.522 3.578 -4.839 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.653 3.234 -6.170 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.986 2.614 -6.236 1.00 0.00 H new ATOM 399 N GLN A 28 -3.503 5.448 -8.782 1.00 0.00 N ATOM 400 CA GLN A 28 -4.859 5.292 -9.287 1.00 0.00 C ATOM 401 C GLN A 28 -4.855 4.920 -10.770 1.00 0.00 C ATOM 402 O GLN A 28 -5.818 4.332 -11.260 1.00 0.00 O ATOM 403 CB GLN A 28 -5.675 6.559 -9.029 1.00 0.00 C ATOM 404 CG GLN A 28 -5.169 7.758 -9.827 1.00 0.00 C ATOM 405 CD GLN A 28 -5.946 9.013 -9.452 1.00 0.00 C ATOM 406 OE1 GLN A 28 -6.799 9.477 -10.204 1.00 0.00 O ATOM 407 NE2 GLN A 28 -5.657 9.570 -8.280 1.00 0.00 N ATOM 0 H GLN A 28 -3.226 6.407 -8.573 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.334 4.471 -8.749 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.718 6.372 -9.284 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.644 6.796 -7.966 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.107 7.909 -9.634 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.274 7.563 -10.894 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.942 9.157 -7.681 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.150 10.411 -7.979 1.00 0.00 H new ATOM 416 N ASN A 29 -3.777 5.256 -11.489 1.00 0.00 N ATOM 417 CA ASN A 29 -3.610 4.847 -12.875 1.00 0.00 C ATOM 418 C ASN A 29 -3.352 3.341 -12.979 1.00 0.00 C ATOM 419 O ASN A 29 -3.639 2.741 -14.013 1.00 0.00 O ATOM 420 CB ASN A 29 -2.456 5.651 -13.489 1.00 0.00 C ATOM 421 CG ASN A 29 -1.458 4.779 -14.242 1.00 0.00 C ATOM 422 OD1 ASN A 29 -1.541 4.628 -15.458 1.00 0.00 O ATOM 423 ND2 ASN A 29 -0.509 4.202 -13.512 1.00 0.00 N ATOM 0 H ASN A 29 -3.006 5.815 -11.123 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.528 5.050 -13.427 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.863 6.399 -14.170 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.935 6.190 -12.698 1.00 0.00 H new ATOM 0 HD21 ASN A 29 0.188 3.606 -13.960 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.477 4.355 -12.504 1.00 0.00 H new ATOM 430 N PHE A 30 -2.813 2.726 -11.921 1.00 0.00 N ATOM 431 CA PHE A 30 -2.453 1.316 -11.957 1.00 0.00 C ATOM 432 C PHE A 30 -3.603 0.400 -11.529 1.00 0.00 C ATOM 433 O PHE A 30 -3.732 -0.703 -12.060 1.00 0.00 O ATOM 434 CB PHE A 30 -1.233 1.107 -11.064 1.00 0.00 C ATOM 435 CG PHE A 30 -0.864 -0.346 -10.881 1.00 0.00 C ATOM 436 CD1 PHE A 30 -0.119 -1.017 -11.861 1.00 0.00 C ATOM 437 CD2 PHE A 30 -1.277 -1.027 -9.729 1.00 0.00 C ATOM 438 CE1 PHE A 30 0.203 -2.371 -11.688 1.00 0.00 C ATOM 439 CE2 PHE A 30 -0.972 -2.382 -9.564 1.00 0.00 C ATOM 440 CZ PHE A 30 -0.228 -3.054 -10.542 1.00 0.00 C ATOM 0 H PHE A 30 -2.619 3.188 -11.032 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.222 1.045 -12.987 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.383 1.639 -11.492 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.427 1.551 -10.087 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.206 -0.492 -12.747 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.833 -0.504 -8.965 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.783 -2.888 -12.438 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.310 -2.909 -8.684 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.014 -4.099 -10.413 1.00 0.00 H new ATOM 450 N LEU A 31 -4.441 0.831 -10.580 1.00 0.00 N ATOM 451 CA LEU A 31 -5.590 0.041 -10.149 1.00 0.00 C ATOM 452 C LEU A 31 -6.787 0.322 -11.056 1.00 0.00 C ATOM 453 O LEU A 31 -7.825 0.802 -10.603 1.00 0.00 O ATOM 454 CB LEU A 31 -5.945 0.292 -8.675 1.00 0.00 C ATOM 455 CG LEU A 31 -4.938 -0.250 -7.651 1.00 0.00 C ATOM 456 CD1 LEU A 31 -4.395 -1.625 -8.031 1.00 0.00 C ATOM 457 CD2 LEU A 31 -3.794 0.732 -7.456 1.00 0.00 C ATOM 0 H LEU A 31 -4.341 1.724 -10.098 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.321 -1.012 -10.232 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.049 1.366 -8.522 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.918 -0.155 -8.473 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.478 -0.367 -6.711 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.688 -1.959 -7.272 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.219 -2.336 -8.098 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.890 -1.563 -8.995 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.090 0.331 -6.727 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.283 0.888 -8.406 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.188 1.682 -7.095 1.00 0.00 H new ATOM 469 N SER A 32 -6.641 0.021 -12.349 1.00 0.00 N ATOM 470 CA SER A 32 -7.707 0.174 -13.322 1.00 0.00 C ATOM 471 C SER A 32 -8.964 -0.573 -12.885 1.00 0.00 C ATOM 472 O SER A 32 -8.891 -1.569 -12.166 1.00 0.00 O ATOM 473 CB SER A 32 -7.230 -0.349 -14.676 1.00 0.00 C ATOM 474 OG SER A 32 -6.067 0.347 -15.079 1.00 0.00 O ATOM 0 H SER A 32 -5.772 -0.337 -12.745 1.00 0.00 H new ATOM 0 HA SER A 32 -7.959 1.232 -13.402 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.021 -1.417 -14.610 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.016 -0.224 -15.421 1.00 0.00 H new ATOM 0 HG SER A 32 -5.766 0.006 -15.947 1.00 0.00 H new ATOM 480 N ASP A 33 -10.114 -0.066 -13.337 1.00 0.00 N ATOM 481 CA ASP A 33 -11.458 -0.557 -13.040 1.00 0.00 C ATOM 482 C ASP A 33 -11.839 -0.476 -11.557 1.00 0.00 C ATOM 483 O ASP A 33 -13.018 -0.602 -11.231 1.00 0.00 O ATOM 484 CB ASP A 33 -11.638 -1.976 -13.583 1.00 0.00 C ATOM 485 CG ASP A 33 -11.337 -2.047 -15.078 1.00 0.00 C ATOM 486 OD1 ASP A 33 -12.173 -1.538 -15.858 1.00 0.00 O ATOM 487 OD2 ASP A 33 -10.275 -2.607 -15.430 1.00 0.00 O ATOM 0 H ASP A 33 -10.131 0.745 -13.956 1.00 0.00 H new ATOM 0 HA ASP A 33 -12.148 0.115 -13.550 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.979 -2.658 -13.046 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -12.660 -2.309 -13.401 1.00 0.00 H new ATOM 492 N CYS A 34 -10.875 -0.267 -10.654 1.00 0.00 N ATOM 493 CA CYS A 34 -11.148 -0.130 -9.234 1.00 0.00 C ATOM 494 C CYS A 34 -11.636 1.282 -8.912 1.00 0.00 C ATOM 495 O CYS A 34 -11.734 2.143 -9.787 1.00 0.00 O ATOM 496 CB CYS A 34 -9.871 -0.425 -8.442 1.00 0.00 C ATOM 497 SG CYS A 34 -9.291 -2.104 -8.807 1.00 0.00 S ATOM 0 H CYS A 34 -9.887 -0.189 -10.895 1.00 0.00 H new ATOM 0 HA CYS A 34 -11.929 -0.838 -8.956 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -9.098 0.300 -8.699 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -10.063 -0.322 -7.374 1.00 0.00 H new ATOM 0 HG CYS A 34 -9.026 -2.205 -10.076 1.00 0.00 H new ATOM 503 N THR A 35 -11.941 1.505 -7.633 1.00 0.00 N ATOM 504 CA THR A 35 -12.326 2.795 -7.090 1.00 0.00 C ATOM 505 C THR A 35 -11.574 2.960 -5.777 1.00 0.00 C ATOM 506 O THR A 35 -11.246 1.971 -5.127 1.00 0.00 O ATOM 507 CB THR A 35 -13.845 2.837 -6.896 1.00 0.00 C ATOM 508 OG1 THR A 35 -14.485 2.728 -8.147 1.00 0.00 O ATOM 509 CG2 THR A 35 -14.288 4.142 -6.240 1.00 0.00 C ATOM 0 H THR A 35 -11.924 0.766 -6.930 1.00 0.00 H new ATOM 0 HA THR A 35 -12.073 3.616 -7.761 1.00 0.00 H new ATOM 0 HB THR A 35 -14.119 2.005 -6.248 1.00 0.00 H new ATOM 0 HG1 THR A 35 -15.457 2.753 -8.021 1.00 0.00 H new ATOM 0 HG21 THR A 35 -15.371 4.138 -6.117 1.00 0.00 H new ATOM 0 HG22 THR A 35 -13.813 4.238 -5.264 1.00 0.00 H new ATOM 0 HG23 THR A 35 -13.997 4.983 -6.870 1.00 0.00 H new ATOM 517 N ILE A 36 -11.299 4.206 -5.386 1.00 0.00 N ATOM 518 CA ILE A 36 -10.319 4.506 -4.350 1.00 0.00 C ATOM 519 C ILE A 36 -10.977 5.273 -3.205 1.00 0.00 C ATOM 520 O ILE A 36 -10.419 6.221 -2.657 1.00 0.00 O ATOM 521 CB ILE A 36 -9.115 5.191 -5.010 1.00 0.00 C ATOM 522 CG1 ILE A 36 -8.504 4.195 -6.006 1.00 0.00 C ATOM 523 CG2 ILE A 36 -8.020 5.583 -4.011 1.00 0.00 C ATOM 524 CD1 ILE A 36 -7.766 4.937 -7.107 1.00 0.00 C ATOM 0 H ILE A 36 -11.751 5.031 -5.780 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.932 3.604 -3.875 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.472 6.106 -5.482 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -7.819 3.525 -5.487 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.289 3.575 -6.439 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.198 6.062 -4.542 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -8.430 6.275 -3.275 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -7.653 4.690 -3.504 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.338 4.219 -7.806 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.462 5.588 -7.636 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.968 5.537 -6.670 1.00 0.00 H new ATOM 536 N HIS A 37 -12.188 4.834 -2.856 1.00 0.00 N ATOM 537 CA HIS A 37 -13.019 5.368 -1.780 1.00 0.00 C ATOM 538 C HIS A 37 -13.464 6.822 -1.991 1.00 0.00 C ATOM 539 O HIS A 37 -14.527 7.213 -1.511 1.00 0.00 O ATOM 540 CB HIS A 37 -12.274 5.168 -0.462 1.00 0.00 C ATOM 541 CG HIS A 37 -13.163 5.267 0.746 1.00 0.00 C ATOM 542 ND1 HIS A 37 -13.743 4.215 1.415 1.00 0.00 N ATOM 543 CD2 HIS A 37 -13.548 6.414 1.383 1.00 0.00 C ATOM 544 CE1 HIS A 37 -14.457 4.721 2.436 1.00 0.00 C ATOM 545 NE2 HIS A 37 -14.370 6.063 2.460 1.00 0.00 N ATOM 0 H HIS A 37 -12.636 4.057 -3.342 1.00 0.00 H new ATOM 0 HA HIS A 37 -13.959 4.816 -1.766 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -11.792 4.190 -0.470 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -11.482 5.913 -0.384 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -13.649 3.227 1.179 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -13.266 7.418 1.103 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -15.023 4.130 3.141 1.00 0.00 H new ATOM 553 N ASP A 38 -12.663 7.620 -2.704 1.00 0.00 N ATOM 554 CA ASP A 38 -12.966 8.998 -3.076 1.00 0.00 C ATOM 555 C ASP A 38 -12.142 9.432 -4.289 1.00 0.00 C ATOM 556 O ASP A 38 -12.569 10.309 -5.039 1.00 0.00 O ATOM 557 CB ASP A 38 -12.614 9.944 -1.923 1.00 0.00 C ATOM 558 CG ASP A 38 -13.657 9.944 -0.808 1.00 0.00 C ATOM 559 OD1 ASP A 38 -14.835 10.235 -1.118 1.00 0.00 O ATOM 560 OD2 ASP A 38 -13.271 9.655 0.345 1.00 0.00 O ATOM 0 H ASP A 38 -11.754 7.309 -3.048 1.00 0.00 H new ATOM 0 HA ASP A 38 -14.030 9.045 -3.309 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.648 9.658 -1.508 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -12.507 10.957 -2.312 1.00 0.00 H new ATOM 565 N GLY A 39 -10.965 8.827 -4.485 1.00 0.00 N ATOM 566 CA GLY A 39 -10.006 9.244 -5.495 1.00 0.00 C ATOM 567 C GLY A 39 -9.307 10.512 -5.024 1.00 0.00 C ATOM 568 O GLY A 39 -9.960 11.459 -4.588 1.00 0.00 O ATOM 0 H GLY A 39 -10.655 8.025 -3.936 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.275 8.454 -5.669 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.513 9.424 -6.443 1.00 0.00 H new ATOM 572 N ALA A 40 -7.975 10.524 -5.111 1.00 0.00 N ATOM 573 CA ALA A 40 -7.140 11.597 -4.593 1.00 0.00 C ATOM 574 C ALA A 40 -7.434 11.926 -3.121 1.00 0.00 C ATOM 575 O ALA A 40 -6.939 12.922 -2.597 1.00 0.00 O ATOM 576 CB ALA A 40 -7.279 12.824 -5.490 1.00 0.00 C ATOM 0 H ALA A 40 -7.443 9.774 -5.552 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.104 11.258 -4.610 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.654 13.630 -5.104 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.962 12.572 -6.502 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.320 13.148 -5.505 1.00 0.00 H new ATOM 582 N ALA A 41 -8.240 11.090 -2.460 1.00 0.00 N ATOM 583 CA ALA A 41 -8.622 11.254 -1.065 1.00 0.00 C ATOM 584 C ALA A 41 -8.729 9.900 -0.356 1.00 0.00 C ATOM 585 O ALA A 41 -9.344 9.798 0.703 1.00 0.00 O ATOM 586 CB ALA A 41 -9.926 12.047 -0.995 1.00 0.00 C ATOM 0 H ALA A 41 -8.651 10.264 -2.895 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.848 11.813 -0.538 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.219 12.174 0.047 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.782 13.025 -1.453 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.709 11.508 -1.529 1.00 0.00 H new ATOM 592 N GLY A 42 -8.125 8.863 -0.946 1.00 0.00 N ATOM 593 CA GLY A 42 -8.077 7.525 -0.368 1.00 0.00 C ATOM 594 C GLY A 42 -6.681 6.913 -0.495 1.00 0.00 C ATOM 595 O GLY A 42 -6.484 5.745 -0.162 1.00 0.00 O ATOM 0 H GLY A 42 -7.652 8.935 -1.847 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.362 7.570 0.683 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.804 6.885 -0.868 1.00 0.00 H new ATOM 599 N VAL A 43 -5.712 7.700 -0.974 1.00 0.00 N ATOM 600 CA VAL A 43 -4.325 7.268 -1.104 1.00 0.00 C ATOM 601 C VAL A 43 -3.659 7.234 0.273 1.00 0.00 C ATOM 602 O VAL A 43 -4.116 7.900 1.201 1.00 0.00 O ATOM 603 CB VAL A 43 -3.584 8.241 -2.037 1.00 0.00 C ATOM 604 CG1 VAL A 43 -3.321 9.574 -1.333 1.00 0.00 C ATOM 605 CG2 VAL A 43 -2.262 7.629 -2.493 1.00 0.00 C ATOM 0 H VAL A 43 -5.873 8.659 -1.283 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.287 6.264 -1.528 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.214 8.425 -2.907 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.796 10.246 -2.011 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.269 10.023 -1.039 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.710 9.403 -0.447 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.746 8.327 -3.153 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.638 7.423 -1.624 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.457 6.700 -3.028 1.00 0.00 H new ATOM 615 N HIS A 44 -2.577 6.460 0.406 1.00 0.00 N ATOM 616 CA HIS A 44 -1.773 6.419 1.619 1.00 0.00 C ATOM 617 C HIS A 44 -0.337 6.026 1.289 1.00 0.00 C ATOM 618 O HIS A 44 -0.074 5.413 0.258 1.00 0.00 O ATOM 619 CB HIS A 44 -2.337 5.388 2.593 1.00 0.00 C ATOM 620 CG HIS A 44 -3.579 5.832 3.310 1.00 0.00 C ATOM 621 ND1 HIS A 44 -3.670 6.821 4.264 1.00 0.00 N ATOM 622 CD2 HIS A 44 -4.833 5.321 3.133 1.00 0.00 C ATOM 623 CE1 HIS A 44 -4.956 6.893 4.652 1.00 0.00 C ATOM 624 NE2 HIS A 44 -5.709 5.999 3.989 1.00 0.00 N ATOM 0 H HIS A 44 -2.238 5.843 -0.332 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.795 7.411 2.070 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.555 4.470 2.047 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.572 5.146 3.331 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -2.902 7.395 4.613 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -5.103 4.529 2.450 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -5.333 7.578 5.397 1.00 0.00 H new ATOM 632 N PHE A 45 0.590 6.387 2.181 1.00 0.00 N ATOM 633 CA PHE A 45 2.006 6.078 2.062 1.00 0.00 C ATOM 634 C PHE A 45 2.574 5.842 3.463 1.00 0.00 C ATOM 635 O PHE A 45 1.876 6.055 4.453 1.00 0.00 O ATOM 636 CB PHE A 45 2.716 7.230 1.348 1.00 0.00 C ATOM 637 CG PHE A 45 2.199 7.464 -0.057 1.00 0.00 C ATOM 638 CD1 PHE A 45 2.603 6.621 -1.102 1.00 0.00 C ATOM 639 CD2 PHE A 45 1.311 8.518 -0.317 1.00 0.00 C ATOM 640 CE1 PHE A 45 2.096 6.811 -2.396 1.00 0.00 C ATOM 641 CE2 PHE A 45 0.809 8.711 -1.611 1.00 0.00 C ATOM 642 CZ PHE A 45 1.191 7.850 -2.650 1.00 0.00 C ATOM 0 H PHE A 45 0.364 6.915 3.024 1.00 0.00 H new ATOM 0 HA PHE A 45 2.160 5.175 1.471 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.593 8.143 1.931 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.785 7.020 1.306 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.306 5.824 -0.910 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.014 9.182 0.481 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.404 6.156 -3.197 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.127 9.524 -1.809 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.789 7.987 -3.643 1.00 0.00 H new ATOM 652 N ILE A 46 3.832 5.402 3.558 1.00 0.00 N ATOM 653 CA ILE A 46 4.424 5.014 4.834 1.00 0.00 C ATOM 654 C ILE A 46 5.820 5.608 4.970 1.00 0.00 C ATOM 655 O ILE A 46 6.829 4.914 4.857 1.00 0.00 O ATOM 656 CB ILE A 46 4.443 3.494 4.987 1.00 0.00 C ATOM 657 CG1 ILE A 46 3.060 2.923 4.664 1.00 0.00 C ATOM 658 CG2 ILE A 46 4.840 3.142 6.425 1.00 0.00 C ATOM 659 CD1 ILE A 46 3.113 1.406 4.721 1.00 0.00 C ATOM 0 H ILE A 46 4.460 5.307 2.760 1.00 0.00 H new ATOM 0 HA ILE A 46 3.808 5.413 5.640 1.00 0.00 H new ATOM 0 HB ILE A 46 5.167 3.062 4.296 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.324 3.299 5.375 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.742 3.250 3.674 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.856 2.059 6.543 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.830 3.545 6.638 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.117 3.572 7.118 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.128 0.999 4.491 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.836 1.040 3.993 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.412 1.090 5.720 1.00 0.00 H new ATOM 826 N ALA A 57 3.216 1.463 0.808 1.00 0.00 N ATOM 827 CA ALA A 57 1.981 2.237 0.751 1.00 0.00 C ATOM 828 C ALA A 57 0.719 1.374 0.875 1.00 0.00 C ATOM 829 O ALA A 57 0.793 0.152 1.002 1.00 0.00 O ATOM 830 CB ALA A 57 1.978 2.983 -0.585 1.00 0.00 C ATOM 0 HA ALA A 57 1.956 2.920 1.600 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.068 3.577 -0.668 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.846 3.641 -0.637 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.018 2.264 -1.403 1.00 0.00 H new ATOM 836 N PHE A 58 -0.448 2.033 0.836 1.00 0.00 N ATOM 837 CA PHE A 58 -1.760 1.392 0.839 1.00 0.00 C ATOM 838 C PHE A 58 -2.711 2.165 -0.075 1.00 0.00 C ATOM 839 O PHE A 58 -2.386 3.258 -0.538 1.00 0.00 O ATOM 840 CB PHE A 58 -2.388 1.382 2.238 1.00 0.00 C ATOM 841 CG PHE A 58 -1.625 0.697 3.345 1.00 0.00 C ATOM 842 CD1 PHE A 58 -1.777 -0.678 3.576 1.00 0.00 C ATOM 843 CD2 PHE A 58 -0.772 1.452 4.158 1.00 0.00 C ATOM 844 CE1 PHE A 58 -1.103 -1.288 4.645 1.00 0.00 C ATOM 845 CE2 PHE A 58 -0.112 0.847 5.231 1.00 0.00 C ATOM 846 CZ PHE A 58 -0.276 -0.525 5.480 1.00 0.00 C ATOM 0 H PHE A 58 -0.501 3.051 0.801 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.615 0.367 0.498 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.556 2.416 2.537 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.367 0.909 2.163 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.413 -1.267 2.931 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.624 2.503 3.956 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.222 -2.346 4.824 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.527 1.437 5.871 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.233 -0.990 6.311 1.00 0.00 H new ATOM 856 N VAL A 59 -3.890 1.590 -0.330 1.00 0.00 N ATOM 857 CA VAL A 59 -4.938 2.215 -1.127 1.00 0.00 C ATOM 858 C VAL A 59 -6.298 1.776 -0.588 1.00 0.00 C ATOM 859 O VAL A 59 -6.615 0.588 -0.595 1.00 0.00 O ATOM 860 CB VAL A 59 -4.804 1.790 -2.598 1.00 0.00 C ATOM 861 CG1 VAL A 59 -5.889 2.452 -3.445 1.00 0.00 C ATOM 862 CG2 VAL A 59 -3.451 2.193 -3.185 1.00 0.00 C ATOM 0 H VAL A 59 -4.142 0.665 0.018 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.846 3.299 -1.064 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.901 0.705 -2.619 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.780 2.141 -4.484 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.871 2.153 -3.078 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.792 3.536 -3.379 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.397 1.874 -4.226 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.339 3.276 -3.131 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.652 1.716 -2.617 1.00 0.00 H new ATOM 872 N GLU A 60 -7.108 2.730 -0.119 1.00 0.00 N ATOM 873 CA GLU A 60 -8.470 2.433 0.301 1.00 0.00 C ATOM 874 C GLU A 60 -9.344 2.271 -0.939 1.00 0.00 C ATOM 875 O GLU A 60 -9.028 2.831 -1.986 1.00 0.00 O ATOM 876 CB GLU A 60 -9.030 3.580 1.147 1.00 0.00 C ATOM 877 CG GLU A 60 -8.257 3.755 2.452 1.00 0.00 C ATOM 878 CD GLU A 60 -8.904 4.837 3.317 1.00 0.00 C ATOM 879 OE1 GLU A 60 -8.996 5.988 2.838 1.00 0.00 O ATOM 880 OE2 GLU A 60 -9.303 4.502 4.455 1.00 0.00 O ATOM 0 H GLU A 60 -6.840 3.710 -0.023 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.467 1.518 0.894 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.990 4.507 0.574 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.080 3.388 1.370 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.234 2.811 2.997 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.223 4.024 2.236 1.00 0.00 H new ATOM 887 N LEU A 61 -10.438 1.512 -0.832 1.00 0.00 N ATOM 888 CA LEU A 61 -11.354 1.317 -1.949 1.00 0.00 C ATOM 889 C LEU A 61 -12.798 1.526 -1.503 1.00 0.00 C ATOM 890 O LEU A 61 -13.055 1.929 -0.369 1.00 0.00 O ATOM 891 CB LEU A 61 -11.196 -0.081 -2.551 1.00 0.00 C ATOM 892 CG LEU A 61 -9.734 -0.512 -2.725 1.00 0.00 C ATOM 893 CD1 LEU A 61 -9.688 -2.017 -2.942 1.00 0.00 C ATOM 894 CD2 LEU A 61 -9.106 0.158 -3.947 1.00 0.00 C ATOM 0 H LEU A 61 -10.708 1.023 0.021 1.00 0.00 H new ATOM 0 HA LEU A 61 -11.107 2.055 -2.713 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -11.705 -0.802 -1.912 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -11.692 -0.108 -3.521 1.00 0.00 H new ATOM 0 HG LEU A 61 -9.182 -0.221 -1.831 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.653 -2.335 -3.067 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.121 -2.522 -2.079 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -10.257 -2.273 -3.836 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.070 -0.165 -4.047 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -9.661 -0.123 -4.842 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -9.138 1.241 -3.825 1.00 0.00 H new ATOM 906 N GLY A 62 -13.746 1.249 -2.403 1.00 0.00 N ATOM 907 CA GLY A 62 -15.149 1.541 -2.161 1.00 0.00 C ATOM 908 C GLY A 62 -16.013 0.302 -1.935 1.00 0.00 C ATOM 909 O GLY A 62 -17.086 0.420 -1.346 1.00 0.00 O ATOM 0 H GLY A 62 -13.558 0.820 -3.309 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -15.229 2.191 -1.289 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.545 2.097 -3.011 1.00 0.00 H new ATOM 913 N SER A 63 -15.576 -0.879 -2.385 1.00 0.00 N ATOM 914 CA SER A 63 -16.349 -2.095 -2.177 1.00 0.00 C ATOM 915 C SER A 63 -15.478 -3.340 -2.268 1.00 0.00 C ATOM 916 O SER A 63 -14.308 -3.272 -2.643 1.00 0.00 O ATOM 917 CB SER A 63 -17.448 -2.199 -3.236 1.00 0.00 C ATOM 918 OG SER A 63 -18.449 -3.097 -2.798 1.00 0.00 O ATOM 0 H SER A 63 -14.700 -1.012 -2.890 1.00 0.00 H new ATOM 0 HA SER A 63 -16.779 -2.038 -1.177 1.00 0.00 H new ATOM 0 HB2 SER A 63 -17.883 -1.217 -3.420 1.00 0.00 H new ATOM 0 HB3 SER A 63 -17.025 -2.543 -4.180 1.00 0.00 H new ATOM 0 HG SER A 63 -19.152 -3.160 -3.478 1.00 0.00 H new ATOM 924 N GLU A 64 -16.068 -4.484 -1.917 1.00 0.00 N ATOM 925 CA GLU A 64 -15.440 -5.787 -2.030 1.00 0.00 C ATOM 926 C GLU A 64 -15.053 -6.070 -3.478 1.00 0.00 C ATOM 927 O GLU A 64 -14.089 -6.784 -3.740 1.00 0.00 O ATOM 928 CB GLU A 64 -16.459 -6.826 -1.565 1.00 0.00 C ATOM 929 CG GLU A 64 -15.936 -8.250 -1.749 1.00 0.00 C ATOM 930 CD GLU A 64 -16.950 -9.274 -1.243 1.00 0.00 C ATOM 931 OE1 GLU A 64 -17.010 -9.469 -0.009 1.00 0.00 O ATOM 932 OE2 GLU A 64 -17.659 -9.852 -2.098 1.00 0.00 O ATOM 0 H GLU A 64 -17.015 -4.524 -1.539 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.535 -5.822 -1.423 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -16.697 -6.658 -0.515 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -17.386 -6.703 -2.125 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -15.726 -8.431 -2.803 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.995 -8.368 -1.212 1.00 0.00 H new ATOM 939 N ASP A 65 -15.799 -5.514 -4.434 1.00 0.00 N ATOM 940 CA ASP A 65 -15.511 -5.754 -5.833 1.00 0.00 C ATOM 941 C ASP A 65 -14.222 -5.046 -6.245 1.00 0.00 C ATOM 942 O ASP A 65 -13.536 -5.492 -7.160 1.00 0.00 O ATOM 943 CB ASP A 65 -16.688 -5.261 -6.676 1.00 0.00 C ATOM 944 CG ASP A 65 -16.541 -5.660 -8.142 1.00 0.00 C ATOM 945 OD1 ASP A 65 -16.398 -6.877 -8.399 1.00 0.00 O ATOM 946 OD2 ASP A 65 -16.571 -4.745 -8.994 1.00 0.00 O ATOM 0 H ASP A 65 -16.597 -4.902 -4.260 1.00 0.00 H new ATOM 0 HA ASP A 65 -15.371 -6.823 -5.996 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -17.617 -5.671 -6.279 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -16.760 -4.176 -6.600 1.00 0.00 H new ATOM 951 N ASP A 66 -13.884 -3.938 -5.575 1.00 0.00 N ATOM 952 CA ASP A 66 -12.683 -3.191 -5.896 1.00 0.00 C ATOM 953 C ASP A 66 -11.453 -3.882 -5.317 1.00 0.00 C ATOM 954 O ASP A 66 -10.400 -3.876 -5.951 1.00 0.00 O ATOM 955 CB ASP A 66 -12.802 -1.782 -5.318 1.00 0.00 C ATOM 956 CG ASP A 66 -13.942 -1.001 -5.964 1.00 0.00 C ATOM 957 OD1 ASP A 66 -13.961 -0.934 -7.213 1.00 0.00 O ATOM 958 OD2 ASP A 66 -14.783 -0.477 -5.201 1.00 0.00 O ATOM 0 H ASP A 66 -14.432 -3.547 -4.809 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.573 -3.140 -6.979 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -12.966 -1.843 -4.242 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.864 -1.247 -5.467 1.00 0.00 H new ATOM 963 N VAL A 67 -11.568 -4.478 -4.124 1.00 0.00 N ATOM 964 CA VAL A 67 -10.433 -5.168 -3.526 1.00 0.00 C ATOM 965 C VAL A 67 -10.126 -6.420 -4.330 1.00 0.00 C ATOM 966 O VAL A 67 -8.960 -6.750 -4.520 1.00 0.00 O ATOM 967 CB VAL A 67 -10.664 -5.459 -2.033 1.00 0.00 C ATOM 968 CG1 VAL A 67 -12.083 -5.893 -1.695 1.00 0.00 C ATOM 969 CG2 VAL A 67 -9.707 -6.529 -1.509 1.00 0.00 C ATOM 0 H VAL A 67 -12.422 -4.494 -3.567 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.558 -4.519 -3.563 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.477 -4.502 -1.546 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.161 -6.078 -0.624 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -12.782 -5.106 -1.979 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.324 -6.806 -2.240 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.902 -6.705 -0.451 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.856 -7.455 -2.065 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.679 -6.191 -1.636 1.00 0.00 H new ATOM 979 N LYS A 68 -11.149 -7.126 -4.814 1.00 0.00 N ATOM 980 CA LYS A 68 -10.923 -8.278 -5.667 1.00 0.00 C ATOM 981 C LYS A 68 -10.208 -7.856 -6.948 1.00 0.00 C ATOM 982 O LYS A 68 -9.236 -8.495 -7.346 1.00 0.00 O ATOM 983 CB LYS A 68 -12.269 -8.924 -5.986 1.00 0.00 C ATOM 984 CG LYS A 68 -12.806 -9.646 -4.751 1.00 0.00 C ATOM 985 CD LYS A 68 -14.199 -10.198 -5.050 1.00 0.00 C ATOM 986 CE LYS A 68 -14.731 -10.930 -3.820 1.00 0.00 C ATOM 987 NZ LYS A 68 -16.085 -11.464 -4.062 1.00 0.00 N ATOM 0 H LYS A 68 -12.130 -6.918 -4.629 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.288 -9.000 -5.153 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.979 -8.164 -6.311 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.158 -9.629 -6.810 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.134 -10.457 -4.470 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.849 -8.960 -3.905 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.873 -9.386 -5.323 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -14.158 -10.878 -5.901 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -14.057 -11.746 -3.559 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.752 -10.249 -2.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.761 -10.998 -3.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -16.359 -11.283 -5.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -16.091 -12.489 -3.884 1.00 0.00 H new ATOM 1001 N MET A 69 -10.679 -6.785 -7.593 1.00 0.00 N ATOM 1002 CA MET A 69 -10.095 -6.316 -8.841 1.00 0.00 C ATOM 1003 C MET A 69 -8.676 -5.786 -8.645 1.00 0.00 C ATOM 1004 O MET A 69 -7.874 -5.844 -9.574 1.00 0.00 O ATOM 1005 CB MET A 69 -10.981 -5.227 -9.447 1.00 0.00 C ATOM 1006 CG MET A 69 -12.209 -5.857 -10.105 1.00 0.00 C ATOM 1007 SD MET A 69 -13.160 -4.735 -11.163 1.00 0.00 S ATOM 1008 CE MET A 69 -13.476 -3.388 -9.994 1.00 0.00 C ATOM 0 H MET A 69 -11.468 -6.228 -7.265 1.00 0.00 H new ATOM 0 HA MET A 69 -10.035 -7.166 -9.521 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.293 -4.527 -8.672 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.416 -4.656 -10.184 1.00 0.00 H new ATOM 0 HG2 MET A 69 -11.887 -6.711 -10.701 1.00 0.00 H new ATOM 0 HG3 MET A 69 -12.865 -6.242 -9.325 1.00 0.00 H new ATOM 0 HE1 MET A 69 -14.212 -2.704 -10.417 1.00 0.00 H new ATOM 0 HE2 MET A 69 -13.858 -3.799 -9.060 1.00 0.00 H new ATOM 0 HE3 MET A 69 -12.549 -2.849 -9.801 1.00 0.00 H new ATOM 1018 N ALA A 70 -8.352 -5.272 -7.457 1.00 0.00 N ATOM 1019 CA ALA A 70 -7.015 -4.777 -7.173 1.00 0.00 C ATOM 1020 C ALA A 70 -6.016 -5.929 -7.037 1.00 0.00 C ATOM 1021 O ALA A 70 -4.835 -5.763 -7.330 1.00 0.00 O ATOM 1022 CB ALA A 70 -7.060 -3.948 -5.889 1.00 0.00 C ATOM 0 H ALA A 70 -9.004 -5.190 -6.677 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.680 -4.154 -8.002 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.062 -3.570 -5.665 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.744 -3.110 -6.021 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.406 -4.572 -5.065 1.00 0.00 H new ATOM 1028 N LEU A 71 -6.485 -7.098 -6.590 1.00 0.00 N ATOM 1029 CA LEU A 71 -5.650 -8.275 -6.414 1.00 0.00 C ATOM 1030 C LEU A 71 -5.408 -9.003 -7.737 1.00 0.00 C ATOM 1031 O LEU A 71 -4.513 -9.841 -7.822 1.00 0.00 O ATOM 1032 CB LEU A 71 -6.330 -9.201 -5.405 1.00 0.00 C ATOM 1033 CG LEU A 71 -6.464 -8.502 -4.048 1.00 0.00 C ATOM 1034 CD1 LEU A 71 -7.374 -9.315 -3.135 1.00 0.00 C ATOM 1035 CD2 LEU A 71 -5.105 -8.310 -3.389 1.00 0.00 C ATOM 0 H LEU A 71 -7.462 -7.248 -6.340 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.673 -7.966 -6.044 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.315 -9.489 -5.772 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.750 -10.117 -5.294 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.901 -7.517 -4.215 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.465 -8.813 -2.172 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.360 -9.406 -3.591 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.949 -10.308 -2.988 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.234 -7.812 -2.428 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.635 -9.281 -3.234 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.472 -7.699 -4.033 1.00 0.00 H new ATOM 1047 N LYS A 72 -6.196 -8.695 -8.773 1.00 0.00 N ATOM 1048 CA LYS A 72 -6.006 -9.279 -10.100 1.00 0.00 C ATOM 1049 C LYS A 72 -4.712 -8.828 -10.780 1.00 0.00 C ATOM 1050 O LYS A 72 -4.366 -9.361 -11.835 1.00 0.00 O ATOM 1051 CB LYS A 72 -7.176 -8.925 -11.017 1.00 0.00 C ATOM 1052 CG LYS A 72 -8.526 -9.396 -10.476 1.00 0.00 C ATOM 1053 CD LYS A 72 -8.533 -10.896 -10.170 1.00 0.00 C ATOM 1054 CE LYS A 72 -9.880 -11.308 -9.578 1.00 0.00 C ATOM 1055 NZ LYS A 72 -10.975 -11.170 -10.558 1.00 0.00 N ATOM 0 H LYS A 72 -6.976 -8.040 -8.714 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.948 -10.356 -9.941 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.205 -7.845 -11.158 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.009 -9.370 -11.998 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.766 -8.841 -9.569 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.306 -9.171 -11.204 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.340 -11.461 -11.082 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.732 -11.136 -9.471 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.826 -12.342 -9.237 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.096 -10.694 -8.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.827 -11.644 -10.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.178 -10.162 -10.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.692 -11.607 -11.458 1.00 0.00 H new ATOM 1069 N LYS A 73 -3.994 -7.860 -10.199 1.00 0.00 N ATOM 1070 CA LYS A 73 -2.757 -7.346 -10.770 1.00 0.00 C ATOM 1071 C LYS A 73 -1.689 -7.201 -9.691 1.00 0.00 C ATOM 1072 O LYS A 73 -0.794 -6.364 -9.788 1.00 0.00 O ATOM 1073 CB LYS A 73 -3.016 -6.024 -11.500 1.00 0.00 C ATOM 1074 CG LYS A 73 -3.407 -4.905 -10.536 1.00 0.00 C ATOM 1075 CD LYS A 73 -4.919 -4.771 -10.366 1.00 0.00 C ATOM 1076 CE LYS A 73 -5.562 -4.233 -11.646 1.00 0.00 C ATOM 1077 NZ LYS A 73 -7.006 -3.984 -11.457 1.00 0.00 N ATOM 0 H LYS A 73 -4.259 -7.415 -9.320 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.382 -8.059 -11.504 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.121 -5.732 -12.050 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -3.810 -6.164 -12.234 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -2.952 -5.094 -9.564 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -3.002 -3.961 -10.899 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -5.349 -5.741 -10.117 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.138 -4.102 -9.534 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.067 -3.308 -11.943 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.417 -4.947 -12.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.471 -3.918 -12.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.425 -4.766 -10.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.140 -3.092 -10.939 1.00 0.00 H new ATOM 1091 N ASP A 74 -1.811 -8.037 -8.661 1.00 0.00 N ATOM 1092 CA ASP A 74 -0.982 -8.046 -7.466 1.00 0.00 C ATOM 1093 C ASP A 74 0.537 -7.961 -7.660 1.00 0.00 C ATOM 1094 O ASP A 74 1.239 -7.758 -6.670 1.00 0.00 O ATOM 1095 CB ASP A 74 -1.334 -9.282 -6.648 1.00 0.00 C ATOM 1096 CG ASP A 74 -0.773 -10.554 -7.279 1.00 0.00 C ATOM 1097 OD1 ASP A 74 -1.436 -11.086 -8.196 1.00 0.00 O ATOM 1098 OD2 ASP A 74 0.317 -10.988 -6.840 1.00 0.00 O ATOM 0 H ASP A 74 -2.529 -8.762 -8.641 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.218 -7.113 -6.954 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.941 -9.173 -5.637 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.417 -9.365 -6.562 1.00 0.00 H new ATOM 1103 N ARG A 75 1.063 -8.107 -8.884 1.00 0.00 N ATOM 1104 CA ARG A 75 2.495 -7.951 -9.143 1.00 0.00 C ATOM 1105 C ARG A 75 2.790 -7.577 -10.598 1.00 0.00 C ATOM 1106 O ARG A 75 3.853 -7.912 -11.121 1.00 0.00 O ATOM 1107 CB ARG A 75 3.289 -9.172 -8.677 1.00 0.00 C ATOM 1108 CG ARG A 75 2.796 -10.499 -9.241 1.00 0.00 C ATOM 1109 CD ARG A 75 3.615 -11.599 -8.575 1.00 0.00 C ATOM 1110 NE ARG A 75 3.347 -12.917 -9.161 1.00 0.00 N ATOM 1111 CZ ARG A 75 2.270 -13.667 -8.903 1.00 0.00 C ATOM 1112 NH1 ARG A 75 1.312 -13.247 -8.080 1.00 0.00 N ATOM 1113 NH2 ARG A 75 2.148 -14.862 -9.476 1.00 0.00 N ATOM 0 H ARG A 75 0.512 -8.334 -9.712 1.00 0.00 H new ATOM 0 HA ARG A 75 2.836 -7.106 -8.544 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.334 -9.039 -8.957 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.254 -9.219 -7.589 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.733 -10.633 -9.038 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.920 -10.528 -10.324 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.676 -11.369 -8.671 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.389 -11.624 -7.509 1.00 0.00 H new ATOM 0 HE ARG A 75 4.035 -13.290 -9.815 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.390 -12.335 -7.630 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.500 -13.837 -7.899 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.873 -15.201 -10.108 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.329 -15.439 -9.283 1.00 0.00 H new ATOM 1127 N GLU A 76 1.857 -6.883 -11.258 1.00 0.00 N ATOM 1128 CA GLU A 76 2.044 -6.424 -12.630 1.00 0.00 C ATOM 1129 C GLU A 76 3.008 -5.237 -12.703 1.00 0.00 C ATOM 1130 O GLU A 76 3.820 -5.010 -11.807 1.00 0.00 O ATOM 1131 CB GLU A 76 0.706 -6.030 -13.259 1.00 0.00 C ATOM 1132 CG GLU A 76 -0.295 -7.172 -13.181 1.00 0.00 C ATOM 1133 CD GLU A 76 0.286 -8.498 -13.674 1.00 0.00 C ATOM 1134 OE1 GLU A 76 0.641 -8.563 -14.872 1.00 0.00 O ATOM 1135 OE2 GLU A 76 0.370 -9.433 -12.847 1.00 0.00 O ATOM 0 H GLU A 76 0.956 -6.627 -10.854 1.00 0.00 H new ATOM 0 HA GLU A 76 2.476 -7.255 -13.188 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.304 -5.155 -12.748 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.860 -5.748 -14.301 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.630 -7.287 -12.150 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.174 -6.921 -13.775 1.00 0.00 H new ATOM 1142 N SER A 77 2.904 -4.476 -13.795 1.00 0.00 N ATOM 1143 CA SER A 77 3.755 -3.329 -14.067 1.00 0.00 C ATOM 1144 C SER A 77 2.957 -2.242 -14.783 1.00 0.00 C ATOM 1145 O SER A 77 2.011 -2.539 -15.511 1.00 0.00 O ATOM 1146 CB SER A 77 4.920 -3.787 -14.946 1.00 0.00 C ATOM 1147 OG SER A 77 5.667 -2.680 -15.406 1.00 0.00 O ATOM 0 H SER A 77 2.212 -4.648 -14.524 1.00 0.00 H new ATOM 0 HA SER A 77 4.133 -2.918 -13.131 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.567 -4.458 -14.380 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.539 -4.353 -15.796 1.00 0.00 H new ATOM 0 HG SER A 77 5.964 -2.145 -14.641 1.00 0.00 H new ATOM 1153 N MET A 78 3.340 -0.977 -14.576 1.00 0.00 N ATOM 1154 CA MET A 78 2.737 0.146 -15.285 1.00 0.00 C ATOM 1155 C MET A 78 3.179 0.148 -16.747 1.00 0.00 C ATOM 1156 O MET A 78 2.603 0.862 -17.567 1.00 0.00 O ATOM 1157 CB MET A 78 3.160 1.463 -14.632 1.00 0.00 C ATOM 1158 CG MET A 78 2.556 1.609 -13.237 1.00 0.00 C ATOM 1159 SD MET A 78 3.058 3.127 -12.390 1.00 0.00 S ATOM 1160 CE MET A 78 2.061 2.957 -10.887 1.00 0.00 C ATOM 0 H MET A 78 4.071 -0.709 -13.917 1.00 0.00 H new ATOM 0 HA MET A 78 1.653 0.044 -15.236 1.00 0.00 H new ATOM 0 HB2 MET A 78 4.247 1.506 -14.566 1.00 0.00 H new ATOM 0 HB3 MET A 78 2.845 2.299 -15.257 1.00 0.00 H new ATOM 0 HG2 MET A 78 1.469 1.589 -13.316 1.00 0.00 H new ATOM 0 HG3 MET A 78 2.848 0.751 -12.632 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.459 3.611 -10.111 1.00 0.00 H new ATOM 0 HE2 MET A 78 1.029 3.235 -11.102 1.00 0.00 H new ATOM 0 HE3 MET A 78 2.095 1.923 -10.543 1.00 0.00 H new ATOM 1170 N GLY A 79 4.202 -0.650 -17.067 1.00 0.00 N ATOM 1171 CA GLY A 79 4.758 -0.740 -18.406 1.00 0.00 C ATOM 1172 C GLY A 79 6.278 -0.601 -18.383 1.00 0.00 C ATOM 1173 O GLY A 79 6.924 -0.791 -19.413 1.00 0.00 O ATOM 0 H GLY A 79 4.667 -1.255 -16.391 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.484 -1.696 -18.853 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.328 0.040 -19.034 1.00 0.00 H new ATOM 1177 N HIS A 80 6.857 -0.271 -17.221 1.00 0.00 N ATOM 1178 CA HIS A 80 8.294 -0.070 -17.106 1.00 0.00 C ATOM 1179 C HIS A 80 8.842 -0.389 -15.711 1.00 0.00 C ATOM 1180 O HIS A 80 10.059 -0.400 -15.534 1.00 0.00 O ATOM 1181 CB HIS A 80 8.605 1.383 -17.480 1.00 0.00 C ATOM 1182 CG HIS A 80 10.079 1.664 -17.614 1.00 0.00 C ATOM 1183 ND1 HIS A 80 10.775 2.687 -17.011 1.00 0.00 N ATOM 1184 CD2 HIS A 80 10.976 0.949 -18.361 1.00 0.00 C ATOM 1185 CE1 HIS A 80 12.061 2.586 -17.390 1.00 0.00 C ATOM 1186 NE2 HIS A 80 12.236 1.539 -18.217 1.00 0.00 N ATOM 0 H HIS A 80 6.344 -0.139 -16.349 1.00 0.00 H new ATOM 0 HA HIS A 80 8.787 -0.766 -17.785 1.00 0.00 H new ATOM 0 HB2 HIS A 80 8.110 1.622 -18.421 1.00 0.00 H new ATOM 0 HB3 HIS A 80 8.184 2.044 -16.722 1.00 0.00 H new ATOM 0 HD2 HIS A 80 10.750 0.079 -18.959 1.00 0.00 H new ATOM 0 HE1 HIS A 80 12.848 3.255 -17.073 1.00 0.00 H new ATOM 0 HE2 HIS A 80 13.109 1.237 -18.650 1.00 0.00 H new ATOM 1194 N ARG A 81 7.986 -0.650 -14.712 1.00 0.00 N ATOM 1195 CA ARG A 81 8.477 -0.976 -13.376 1.00 0.00 C ATOM 1196 C ARG A 81 7.495 -1.843 -12.589 1.00 0.00 C ATOM 1197 O ARG A 81 6.282 -1.754 -12.761 1.00 0.00 O ATOM 1198 CB ARG A 81 8.784 0.320 -12.612 1.00 0.00 C ATOM 1199 CG ARG A 81 9.468 0.057 -11.263 1.00 0.00 C ATOM 1200 CD ARG A 81 10.801 -0.673 -11.445 1.00 0.00 C ATOM 1201 NE ARG A 81 11.382 -1.067 -10.157 1.00 0.00 N ATOM 1202 CZ ARG A 81 12.490 -1.805 -10.043 1.00 0.00 C ATOM 1203 NH1 ARG A 81 13.140 -2.231 -11.126 1.00 0.00 N ATOM 1204 NH2 ARG A 81 12.957 -2.123 -8.840 1.00 0.00 N ATOM 0 H ARG A 81 6.970 -0.641 -14.805 1.00 0.00 H new ATOM 0 HA ARG A 81 9.389 -1.562 -13.490 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.425 0.956 -13.223 1.00 0.00 H new ATOM 0 HB3 ARG A 81 7.857 0.868 -12.445 1.00 0.00 H new ATOM 0 HG2 ARG A 81 9.637 1.003 -10.749 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.810 -0.537 -10.629 1.00 0.00 H new ATOM 0 HD2 ARG A 81 10.650 -1.558 -12.063 1.00 0.00 H new ATOM 0 HD3 ARG A 81 11.500 -0.028 -11.978 1.00 0.00 H new ATOM 0 HE ARG A 81 10.915 -0.761 -9.303 1.00 0.00 H new ATOM 0 HH11 ARG A 81 12.793 -1.994 -12.055 1.00 0.00 H new ATOM 0 HH12 ARG A 81 13.985 -2.794 -11.025 1.00 0.00 H new ATOM 0 HH21 ARG A 81 12.469 -1.804 -8.003 1.00 0.00 H new ATOM 0 HH22 ARG A 81 13.803 -2.686 -8.754 1.00 0.00 H new ATOM 1218 N TYR A 82 8.065 -2.684 -11.723 1.00 0.00 N ATOM 1219 CA TYR A 82 7.392 -3.641 -10.861 1.00 0.00 C ATOM 1220 C TYR A 82 6.531 -2.920 -9.828 1.00 0.00 C ATOM 1221 O TYR A 82 7.009 -2.069 -9.074 1.00 0.00 O ATOM 1222 CB TYR A 82 8.532 -4.460 -10.246 1.00 0.00 C ATOM 1223 CG TYR A 82 8.278 -5.568 -9.240 1.00 0.00 C ATOM 1224 CD1 TYR A 82 7.041 -6.220 -9.067 1.00 0.00 C ATOM 1225 CD2 TYR A 82 9.379 -5.945 -8.456 1.00 0.00 C ATOM 1226 CE1 TYR A 82 6.926 -7.249 -8.114 1.00 0.00 C ATOM 1227 CE2 TYR A 82 9.268 -6.959 -7.500 1.00 0.00 C ATOM 1228 CZ TYR A 82 8.037 -7.619 -7.330 1.00 0.00 C ATOM 1229 OH TYR A 82 7.930 -8.611 -6.404 1.00 0.00 O ATOM 0 H TYR A 82 9.077 -2.711 -11.602 1.00 0.00 H new ATOM 0 HA TYR A 82 6.693 -4.290 -11.389 1.00 0.00 H new ATOM 0 HB2 TYR A 82 9.079 -4.909 -11.075 1.00 0.00 H new ATOM 0 HB3 TYR A 82 9.206 -3.750 -9.767 1.00 0.00 H new ATOM 0 HD1 TYR A 82 6.187 -5.932 -9.662 1.00 0.00 H new ATOM 0 HD2 TYR A 82 10.326 -5.444 -8.593 1.00 0.00 H new ATOM 0 HE1 TYR A 82 5.982 -7.757 -7.983 1.00 0.00 H new ATOM 0 HE2 TYR A 82 10.121 -7.234 -6.897 1.00 0.00 H new ATOM 0 HH TYR A 82 6.987 -8.744 -6.175 1.00 0.00 H new ATOM 1239 N ILE A 83 5.247 -3.284 -9.810 1.00 0.00 N ATOM 1240 CA ILE A 83 4.272 -2.775 -8.862 1.00 0.00 C ATOM 1241 C ILE A 83 3.666 -3.986 -8.171 1.00 0.00 C ATOM 1242 O ILE A 83 3.759 -5.093 -8.693 1.00 0.00 O ATOM 1243 CB ILE A 83 3.149 -1.998 -9.566 1.00 0.00 C ATOM 1244 CG1 ILE A 83 3.637 -1.098 -10.706 1.00 0.00 C ATOM 1245 CG2 ILE A 83 2.361 -1.170 -8.543 1.00 0.00 C ATOM 1246 CD1 ILE A 83 4.522 0.056 -10.243 1.00 0.00 C ATOM 0 H ILE A 83 4.855 -3.955 -10.471 1.00 0.00 H new ATOM 0 HA ILE A 83 4.759 -2.093 -8.164 1.00 0.00 H new ATOM 0 HB ILE A 83 2.504 -2.747 -10.025 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.191 -1.704 -11.423 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.773 -0.693 -11.232 1.00 0.00 H new ATOM 0 HG21 ILE A 83 1.567 -0.623 -9.052 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.924 -1.834 -7.797 1.00 0.00 H new ATOM 0 HG23 ILE A 83 3.031 -0.464 -8.052 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.828 0.648 -11.105 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.965 0.686 -9.549 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.406 -0.341 -9.743 1.00 0.00 H new ATOM 1258 N GLU A 84 3.048 -3.795 -7.008 1.00 0.00 N ATOM 1259 CA GLU A 84 2.430 -4.896 -6.297 1.00 0.00 C ATOM 1260 C GLU A 84 1.216 -4.439 -5.503 1.00 0.00 C ATOM 1261 O GLU A 84 1.058 -3.256 -5.209 1.00 0.00 O ATOM 1262 CB GLU A 84 3.456 -5.510 -5.348 1.00 0.00 C ATOM 1263 CG GLU A 84 4.271 -6.586 -6.054 1.00 0.00 C ATOM 1264 CD GLU A 84 5.085 -7.387 -5.044 1.00 0.00 C ATOM 1265 OE1 GLU A 84 5.677 -6.748 -4.149 1.00 0.00 O ATOM 1266 OE2 GLU A 84 5.101 -8.629 -5.182 1.00 0.00 O ATOM 0 H GLU A 84 2.965 -2.890 -6.545 1.00 0.00 H new ATOM 0 HA GLU A 84 2.094 -5.632 -7.027 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.121 -4.732 -4.972 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.948 -5.940 -4.485 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.606 -7.252 -6.604 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.937 -6.126 -6.784 1.00 0.00 H new ATOM 1273 N VAL A 85 0.361 -5.406 -5.162 1.00 0.00 N ATOM 1274 CA VAL A 85 -0.849 -5.188 -4.383 1.00 0.00 C ATOM 1275 C VAL A 85 -1.039 -6.399 -3.483 1.00 0.00 C ATOM 1276 O VAL A 85 -0.696 -7.506 -3.879 1.00 0.00 O ATOM 1277 CB VAL A 85 -2.077 -5.077 -5.296 1.00 0.00 C ATOM 1278 CG1 VAL A 85 -3.232 -4.422 -4.541 1.00 0.00 C ATOM 1279 CG2 VAL A 85 -1.787 -4.269 -6.555 1.00 0.00 C ATOM 0 H VAL A 85 0.498 -6.381 -5.428 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.750 -4.264 -3.814 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.345 -6.090 -5.597 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.099 -4.347 -5.197 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.486 -5.026 -3.670 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.935 -3.425 -4.217 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.686 -4.218 -7.170 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.480 -3.261 -6.277 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.988 -4.749 -7.120 1.00 0.00 H new ATOM 1289 N PHE A 86 -1.580 -6.207 -2.283 1.00 0.00 N ATOM 1290 CA PHE A 86 -1.817 -7.312 -1.358 1.00 0.00 C ATOM 1291 C PHE A 86 -3.074 -6.993 -0.559 1.00 0.00 C ATOM 1292 O PHE A 86 -3.389 -5.827 -0.342 1.00 0.00 O ATOM 1293 CB PHE A 86 -0.581 -7.492 -0.470 1.00 0.00 C ATOM 1294 CG PHE A 86 -0.533 -8.740 0.391 1.00 0.00 C ATOM 1295 CD1 PHE A 86 -1.231 -8.770 1.603 1.00 0.00 C ATOM 1296 CD2 PHE A 86 0.208 -9.868 -0.003 1.00 0.00 C ATOM 1297 CE1 PHE A 86 -1.193 -9.906 2.420 1.00 0.00 C ATOM 1298 CE2 PHE A 86 0.245 -11.007 0.808 1.00 0.00 C ATOM 1299 CZ PHE A 86 -0.453 -11.030 2.022 1.00 0.00 C ATOM 0 H PHE A 86 -1.863 -5.294 -1.927 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.977 -8.255 -1.881 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.301 -7.487 -1.110 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -0.504 -6.624 0.185 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -1.805 -7.908 1.911 1.00 0.00 H new ATOM 0 HD2 PHE A 86 0.751 -9.855 -0.936 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.733 -9.917 3.356 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.813 -11.871 0.497 1.00 0.00 H new ATOM 0 HZ PHE A 86 -0.422 -11.909 2.649 1.00 0.00 H new ATOM 1309 N LYS A 87 -3.803 -8.017 -0.116 1.00 0.00 N ATOM 1310 CA LYS A 87 -5.083 -7.799 0.535 1.00 0.00 C ATOM 1311 C LYS A 87 -4.893 -7.232 1.938 1.00 0.00 C ATOM 1312 O LYS A 87 -3.922 -7.549 2.620 1.00 0.00 O ATOM 1313 CB LYS A 87 -5.865 -9.110 0.539 1.00 0.00 C ATOM 1314 CG LYS A 87 -7.337 -8.828 0.813 1.00 0.00 C ATOM 1315 CD LYS A 87 -8.159 -10.113 0.700 1.00 0.00 C ATOM 1316 CE LYS A 87 -9.647 -9.783 0.813 1.00 0.00 C ATOM 1317 NZ LYS A 87 -10.473 -11.002 0.728 1.00 0.00 N ATOM 0 H LYS A 87 -3.528 -8.996 -0.197 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.658 -7.056 -0.018 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.754 -9.614 -0.421 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.465 -9.781 1.300 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.452 -8.402 1.810 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.709 -8.088 0.105 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.956 -10.603 -0.252 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.871 -10.811 1.486 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.839 -9.276 1.759 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.930 -9.093 0.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.478 -10.747 0.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.306 -11.471 -0.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.218 -11.649 1.501 1.00 0.00 H new ATOM 1331 N SER A 88 -5.830 -6.390 2.369 1.00 0.00 N ATOM 1332 CA SER A 88 -5.748 -5.722 3.659 1.00 0.00 C ATOM 1333 C SER A 88 -7.126 -5.643 4.316 1.00 0.00 C ATOM 1334 O SER A 88 -8.112 -6.147 3.783 1.00 0.00 O ATOM 1335 CB SER A 88 -5.132 -4.333 3.473 1.00 0.00 C ATOM 1336 OG SER A 88 -4.874 -3.734 4.726 1.00 0.00 O ATOM 0 H SER A 88 -6.665 -6.154 1.832 1.00 0.00 H new ATOM 0 HA SER A 88 -5.107 -6.299 4.326 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.206 -4.413 2.904 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.808 -3.703 2.895 1.00 0.00 H new ATOM 0 HG SER A 88 -4.479 -2.848 4.590 1.00 0.00 H new ATOM 1342 N HIS A 89 -7.185 -5.003 5.487 1.00 0.00 N ATOM 1343 CA HIS A 89 -8.388 -4.930 6.303 1.00 0.00 C ATOM 1344 C HIS A 89 -8.481 -3.595 7.043 1.00 0.00 C ATOM 1345 O HIS A 89 -9.336 -3.428 7.910 1.00 0.00 O ATOM 1346 CB HIS A 89 -8.374 -6.109 7.279 1.00 0.00 C ATOM 1347 CG HIS A 89 -7.073 -6.231 8.029 1.00 0.00 C ATOM 1348 ND1 HIS A 89 -6.812 -5.778 9.300 1.00 0.00 N ATOM 1349 CD2 HIS A 89 -5.924 -6.817 7.567 1.00 0.00 C ATOM 1350 CE1 HIS A 89 -5.528 -6.067 9.583 1.00 0.00 C ATOM 1351 NE2 HIS A 89 -4.946 -6.709 8.559 1.00 0.00 N ATOM 0 H HIS A 89 -6.386 -4.517 5.895 1.00 0.00 H new ATOM 0 HA HIS A 89 -9.270 -4.990 5.665 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -9.190 -5.994 7.992 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -8.559 -7.032 6.729 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -5.796 -7.283 6.601 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -5.033 -5.816 10.510 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -3.985 -7.049 8.514 1.00 0.00 H new ATOM 1359 N ARG A 90 -7.599 -2.650 6.694 1.00 0.00 N ATOM 1360 CA ARG A 90 -7.602 -1.267 7.166 1.00 0.00 C ATOM 1361 C ARG A 90 -7.094 -1.106 8.600 1.00 0.00 C ATOM 1362 O ARG A 90 -6.601 -0.036 8.947 1.00 0.00 O ATOM 1363 CB ARG A 90 -9.003 -0.667 7.004 1.00 0.00 C ATOM 1364 CG ARG A 90 -8.928 0.859 6.981 1.00 0.00 C ATOM 1365 CD ARG A 90 -10.311 1.448 6.713 1.00 0.00 C ATOM 1366 NE ARG A 90 -10.222 2.898 6.506 1.00 0.00 N ATOM 1367 CZ ARG A 90 -10.507 3.830 7.418 1.00 0.00 C ATOM 1368 NH1 ARG A 90 -10.923 3.501 8.640 1.00 0.00 N ATOM 1369 NH2 ARG A 90 -10.372 5.114 7.093 1.00 0.00 N ATOM 0 H ARG A 90 -6.833 -2.840 6.048 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.894 -0.718 6.545 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -9.457 -1.029 6.081 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.643 -0.994 7.824 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.546 1.227 7.933 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -8.230 1.185 6.210 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -10.750 0.976 5.834 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.972 1.235 7.553 1.00 0.00 H new ATOM 0 HE ARG A 90 -9.917 3.221 5.588 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -11.030 2.519 8.895 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.135 4.231 9.320 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -10.055 5.373 6.159 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -10.586 5.839 7.778 1.00 0.00 H new ATOM 1383 N THR A 91 -7.202 -2.138 9.440 1.00 0.00 N ATOM 1384 CA THR A 91 -6.672 -2.052 10.794 1.00 0.00 C ATOM 1385 C THR A 91 -5.148 -2.011 10.750 1.00 0.00 C ATOM 1386 O THR A 91 -4.527 -1.283 11.520 1.00 0.00 O ATOM 1387 CB THR A 91 -7.146 -3.246 11.624 1.00 0.00 C ATOM 1388 OG1 THR A 91 -8.555 -3.329 11.581 1.00 0.00 O ATOM 1389 CG2 THR A 91 -6.697 -3.099 13.075 1.00 0.00 C ATOM 0 H THR A 91 -7.645 -3.027 9.208 1.00 0.00 H new ATOM 0 HA THR A 91 -7.038 -1.138 11.262 1.00 0.00 H new ATOM 0 HB THR A 91 -6.710 -4.153 11.205 1.00 0.00 H new ATOM 0 HG1 THR A 91 -8.854 -4.096 12.113 1.00 0.00 H new ATOM 0 HG21 THR A 91 -7.043 -3.957 13.652 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.609 -3.049 13.116 1.00 0.00 H new ATOM 0 HG23 THR A 91 -7.118 -2.186 13.495 1.00 0.00 H new ATOM 1397 N GLU A 92 -4.540 -2.791 9.851 1.00 0.00 N ATOM 1398 CA GLU A 92 -3.099 -2.751 9.649 1.00 0.00 C ATOM 1399 C GLU A 92 -2.714 -1.417 9.039 1.00 0.00 C ATOM 1400 O GLU A 92 -1.687 -0.855 9.402 1.00 0.00 O ATOM 1401 CB GLU A 92 -2.686 -3.885 8.710 1.00 0.00 C ATOM 1402 CG GLU A 92 -1.163 -3.938 8.586 1.00 0.00 C ATOM 1403 CD GLU A 92 -0.709 -5.046 7.638 1.00 0.00 C ATOM 1404 OE1 GLU A 92 -1.098 -6.211 7.870 1.00 0.00 O ATOM 1405 OE2 GLU A 92 0.028 -4.717 6.683 1.00 0.00 O ATOM 0 H GLU A 92 -5.029 -3.457 9.253 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.591 -2.872 10.606 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.061 -4.836 9.089 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.133 -3.735 7.727 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.794 -2.978 8.226 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.724 -4.099 9.570 1.00 0.00 H new ATOM 1412 N MET A 93 -3.534 -0.912 8.113 1.00 0.00 N ATOM 1413 CA MET A 93 -3.252 0.348 7.454 1.00 0.00 C ATOM 1414 C MET A 93 -3.118 1.444 8.505 1.00 0.00 C ATOM 1415 O MET A 93 -2.166 2.219 8.467 1.00 0.00 O ATOM 1416 CB MET A 93 -4.364 0.625 6.437 1.00 0.00 C ATOM 1417 CG MET A 93 -4.107 1.893 5.619 1.00 0.00 C ATOM 1418 SD MET A 93 -4.496 3.451 6.457 1.00 0.00 S ATOM 1419 CE MET A 93 -6.297 3.287 6.583 1.00 0.00 C ATOM 0 H MET A 93 -4.397 -1.363 7.809 1.00 0.00 H new ATOM 0 HA MET A 93 -2.308 0.313 6.910 1.00 0.00 H new ATOM 0 HB2 MET A 93 -4.456 -0.226 5.763 1.00 0.00 H new ATOM 0 HB3 MET A 93 -5.315 0.721 6.960 1.00 0.00 H new ATOM 0 HG2 MET A 93 -3.057 1.910 5.327 1.00 0.00 H new ATOM 0 HG3 MET A 93 -4.693 1.838 4.701 1.00 0.00 H new ATOM 0 HE1 MET A 93 -6.742 4.270 6.738 1.00 0.00 H new ATOM 0 HE2 MET A 93 -6.688 2.853 5.663 1.00 0.00 H new ATOM 0 HE3 MET A 93 -6.545 2.639 7.424 1.00 0.00 H new ATOM 1429 N ASP A 94 -4.063 1.514 9.446 1.00 0.00 N ATOM 1430 CA ASP A 94 -4.047 2.517 10.500 1.00 0.00 C ATOM 1431 C ASP A 94 -2.893 2.290 11.475 1.00 0.00 C ATOM 1432 O ASP A 94 -2.364 3.238 12.055 1.00 0.00 O ATOM 1433 CB ASP A 94 -5.365 2.430 11.260 1.00 0.00 C ATOM 1434 CG ASP A 94 -5.529 3.594 12.234 1.00 0.00 C ATOM 1435 OD1 ASP A 94 -5.703 4.734 11.750 1.00 0.00 O ATOM 1436 OD2 ASP A 94 -5.480 3.335 13.457 1.00 0.00 O ATOM 0 H ASP A 94 -4.857 0.876 9.494 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.915 3.500 10.047 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -6.194 2.427 10.553 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -5.409 1.488 11.807 1.00 0.00 H new ATOM 1441 N TRP A 95 -2.506 1.025 11.650 1.00 0.00 N ATOM 1442 CA TRP A 95 -1.477 0.626 12.599 1.00 0.00 C ATOM 1443 C TRP A 95 -0.078 1.079 12.180 1.00 0.00 C ATOM 1444 O TRP A 95 0.814 1.150 13.022 1.00 0.00 O ATOM 1445 CB TRP A 95 -1.504 -0.895 12.753 1.00 0.00 C ATOM 1446 CG TRP A 95 -0.526 -1.452 13.738 1.00 0.00 C ATOM 1447 CD1 TRP A 95 -0.771 -1.712 15.041 1.00 0.00 C ATOM 1448 CD2 TRP A 95 0.868 -1.824 13.519 1.00 0.00 C ATOM 1449 NE1 TRP A 95 0.370 -2.204 15.640 1.00 0.00 N ATOM 1450 CE2 TRP A 95 1.419 -2.282 14.747 1.00 0.00 C ATOM 1451 CE3 TRP A 95 1.724 -1.805 12.405 1.00 0.00 C ATOM 1452 CZ2 TRP A 95 2.753 -2.690 14.864 1.00 0.00 C ATOM 1453 CZ3 TRP A 95 3.067 -2.199 12.510 1.00 0.00 C ATOM 1454 CH2 TRP A 95 3.583 -2.642 13.735 1.00 0.00 C ATOM 0 H TRP A 95 -2.905 0.244 11.129 1.00 0.00 H new ATOM 0 HA TRP A 95 -1.696 1.114 13.549 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -2.508 -1.196 13.052 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -1.312 -1.346 11.780 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -1.717 -1.558 15.538 1.00 0.00 H new ATOM 0 HE1 TRP A 95 0.431 -2.476 16.621 1.00 0.00 H new ATOM 0 HE3 TRP A 95 1.341 -1.481 11.449 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 3.138 -3.037 15.812 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.707 -2.160 11.641 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.617 -2.946 13.809 1.00 0.00 H new ATOM 1465 N VAL A 96 0.130 1.388 10.896 1.00 0.00 N ATOM 1466 CA VAL A 96 1.446 1.784 10.404 1.00 0.00 C ATOM 1467 C VAL A 96 1.419 3.183 9.780 1.00 0.00 C ATOM 1468 O VAL A 96 2.469 3.807 9.640 1.00 0.00 O ATOM 1469 CB VAL A 96 1.983 0.710 9.449 1.00 0.00 C ATOM 1470 CG1 VAL A 96 1.064 0.546 8.253 1.00 0.00 C ATOM 1471 CG2 VAL A 96 3.395 1.041 8.974 1.00 0.00 C ATOM 0 H VAL A 96 -0.598 1.370 10.182 1.00 0.00 H new ATOM 0 HA VAL A 96 2.137 1.855 11.244 1.00 0.00 H new ATOM 0 HB VAL A 96 2.018 -0.228 10.002 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.464 -0.220 7.589 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.072 0.249 8.594 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.994 1.492 7.715 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.744 0.260 8.299 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.388 1.997 8.450 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.063 1.104 9.833 1.00 0.00 H new ATOM 1481 N LEU A 97 0.241 3.695 9.406 1.00 0.00 N ATOM 1482 CA LEU A 97 0.106 5.079 8.958 1.00 0.00 C ATOM 1483 C LEU A 97 0.350 6.051 10.117 1.00 0.00 C ATOM 1484 O LEU A 97 0.374 7.263 9.909 1.00 0.00 O ATOM 1485 CB LEU A 97 -1.303 5.299 8.393 1.00 0.00 C ATOM 1486 CG LEU A 97 -1.354 5.446 6.869 1.00 0.00 C ATOM 1487 CD1 LEU A 97 -0.593 6.692 6.420 1.00 0.00 C ATOM 1488 CD2 LEU A 97 -0.786 4.220 6.160 1.00 0.00 C ATOM 0 H LEU A 97 -0.632 3.168 9.406 1.00 0.00 H new ATOM 0 HA LEU A 97 0.849 5.268 8.184 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.935 4.461 8.687 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.729 6.194 8.847 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.404 5.543 6.594 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.642 6.777 5.334 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.042 7.576 6.874 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.449 6.614 6.731 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.841 4.366 5.081 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.254 4.079 6.454 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.365 3.339 6.437 1.00 0.00 H new ATOM 1500 N LYS A 98 0.531 5.521 11.332 1.00 0.00 N ATOM 1501 CA LYS A 98 0.716 6.302 12.546 1.00 0.00 C ATOM 1502 C LYS A 98 1.887 5.766 13.369 1.00 0.00 C ATOM 1503 O LYS A 98 2.056 6.144 14.527 1.00 0.00 O ATOM 1504 CB LYS A 98 -0.582 6.251 13.345 1.00 0.00 C ATOM 1505 CG LYS A 98 -1.716 6.883 12.538 1.00 0.00 C ATOM 1506 CD LYS A 98 -2.984 6.887 13.380 1.00 0.00 C ATOM 1507 CE LYS A 98 -4.135 7.482 12.569 1.00 0.00 C ATOM 1508 NZ LYS A 98 -5.415 7.357 13.291 1.00 0.00 N ATOM 0 H LYS A 98 0.552 4.514 11.495 1.00 0.00 H new ATOM 0 HA LYS A 98 0.954 7.335 12.290 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.829 5.218 13.588 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.458 6.780 14.290 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.452 7.901 12.251 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.878 6.324 11.616 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.231 5.871 13.689 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.827 7.468 14.289 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.932 8.533 12.361 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.206 6.975 11.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -6.021 8.172 13.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.893 6.480 13.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -5.235 7.330 14.315 1.00 0.00 H new