USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 713 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 35 CYS SG : rot 102:sc= 0.717 USER MOD Set 1.2: A 36 SER OG : rot 77:sc= 1.26 USER MOD Single : A 11 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00451) USER MOD Single : A 16 GLN : amide:sc= -0.223 K(o=-0.22,f=-1.4) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0716 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0.0924 USER MOD Single : A 34 MET CE :methyl 176:sc= -0.34 (180deg=-0.391) USER MOD Single : A 37 THR OG1 : rot 69:sc= 1.03 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 39:sc= 0.414 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 88:sc= 0.425 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot -84:sc= -4.02! USER MOD Single : A 69 LYS NZ :NH3+ -168:sc= 1.13 (180deg=1.03) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot -37:sc= 0.00485 USER MOD Single : A 74 ASN : amide:sc= -0.39 K(o=-0.39,f=-2.7!) USER MOD Single : A 79 ASN : amide:sc= 0.508 K(o=0.51,f=-0.0064) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 82 MET CE :methyl -178:sc= 0 (180deg=-0.00803) USER MOD Single : A 83 HIS : no HD1:sc= -0.181 X(o=-0.18,f=-0.0053) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0243 USER MOD Single : A 88 ASN : amide:sc= -1.52 K(o=-1.5,f=-2.5) USER MOD Single : A 89 GLN : amide:sc= 1.27 K(o=1.3,f=-4.7!) USER MOD Single : A 91 ASN : amide:sc=-0.00522 K(o=-0.0052,f=-3.7!) USER MOD Single : A 98 ASN : amide:sc= 0.901 K(o=0.9,f=-0.038) USER MOD Single : A 99 SER OG : rot 43:sc= 0.179 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 115 N ILE A 10 -7.623 4.403 8.740 1.00 72.53 N ATOM 116 CA ILE A 10 -6.226 4.037 8.534 1.00 45.14 C ATOM 117 C ILE A 10 -5.586 5.046 7.572 1.00 64.10 C ATOM 118 O ILE A 10 -6.234 5.567 6.661 1.00 63.45 O ATOM 119 CB ILE A 10 -6.184 2.583 8.013 1.00 33.24 C ATOM 120 CG1 ILE A 10 -6.819 1.602 9.028 1.00 4.10 C ATOM 121 CG2 ILE A 10 -4.754 2.130 7.690 1.00 4.40 C ATOM 122 CD1 ILE A 10 -7.327 0.320 8.363 1.00 1.31 C ATOM 0 HA ILE A 10 -5.650 4.073 9.458 1.00 45.14 H new ATOM 0 HB ILE A 10 -6.766 2.569 7.092 1.00 33.24 H new ATOM 0 HG12 ILE A 10 -6.083 1.345 9.790 1.00 4.10 H new ATOM 0 HG13 ILE A 10 -7.646 2.096 9.537 1.00 4.10 H new ATOM 0 HG21 ILE A 10 -4.771 1.102 7.327 1.00 4.40 H new ATOM 0 HG22 ILE A 10 -4.331 2.779 6.923 1.00 4.40 H new ATOM 0 HG23 ILE A 10 -4.142 2.187 8.590 1.00 4.40 H new ATOM 0 HD11 ILE A 10 -7.763 -0.334 9.119 1.00 1.31 H new ATOM 0 HD12 ILE A 10 -8.084 0.571 7.620 1.00 1.31 H new ATOM 0 HD13 ILE A 10 -6.496 -0.191 7.876 1.00 1.31 H new ATOM 134 N LYS A 11 -4.296 5.326 7.775 1.00 44.34 N ATOM 135 CA LYS A 11 -3.531 6.309 7.009 1.00 50.23 C ATOM 136 C LYS A 11 -2.233 5.749 6.431 1.00 60.22 C ATOM 137 O LYS A 11 -1.387 6.514 5.987 1.00 74.51 O ATOM 138 CB LYS A 11 -3.246 7.574 7.835 1.00 33.31 C ATOM 139 CG LYS A 11 -4.441 8.137 8.621 1.00 64.23 C ATOM 140 CD LYS A 11 -4.467 7.646 10.077 1.00 24.23 C ATOM 141 CE LYS A 11 -5.551 8.358 10.890 1.00 3.11 C ATOM 142 NZ LYS A 11 -5.201 9.748 11.227 1.00 70.35 N ATOM 0 H LYS A 11 -3.742 4.863 8.495 1.00 44.34 H new ATOM 0 HA LYS A 11 -4.165 6.577 6.164 1.00 50.23 H new ATOM 0 HB2 LYS A 11 -2.443 7.354 8.538 1.00 33.31 H new ATOM 0 HB3 LYS A 11 -2.878 8.350 7.163 1.00 33.31 H new ATOM 0 HG2 LYS A 11 -4.400 9.226 8.608 1.00 64.23 H new ATOM 0 HG3 LYS A 11 -5.368 7.847 8.126 1.00 64.23 H new ATOM 0 HD2 LYS A 11 -4.644 6.571 10.096 1.00 24.23 H new ATOM 0 HD3 LYS A 11 -3.494 7.817 10.537 1.00 24.23 H new ATOM 0 HE2 LYS A 11 -6.483 8.351 10.326 1.00 3.11 H new ATOM 0 HE3 LYS A 11 -5.731 7.802 11.810 1.00 3.11 H new ATOM 0 HZ1 LYS A 11 -5.957 10.166 11.806 1.00 70.35 H new ATOM 0 HZ2 LYS A 11 -4.309 9.762 11.761 1.00 70.35 H new ATOM 0 HZ3 LYS A 11 -5.089 10.300 10.352 1.00 70.35 H new ATOM 156 N GLU A 12 -2.055 4.438 6.384 1.00 71.14 N ATOM 157 CA GLU A 12 -0.956 3.797 5.658 1.00 12.33 C ATOM 158 C GLU A 12 -1.448 2.447 5.141 1.00 24.13 C ATOM 159 O GLU A 12 -2.326 1.826 5.743 1.00 74.32 O ATOM 160 CB GLU A 12 0.304 3.691 6.555 1.00 22.21 C ATOM 161 CG GLU A 12 1.491 2.991 5.856 1.00 20.14 C ATOM 162 CD GLU A 12 2.865 3.365 6.432 1.00 64.24 C ATOM 163 OE1 GLU A 12 3.328 4.506 6.215 1.00 3.15 O ATOM 164 OE2 GLU A 12 3.571 2.503 7.007 1.00 62.35 O ATOM 0 H GLU A 12 -2.674 3.776 6.853 1.00 71.14 H new ATOM 0 HA GLU A 12 -0.653 4.397 4.800 1.00 12.33 H new ATOM 0 HB2 GLU A 12 0.610 4.692 6.861 1.00 22.21 H new ATOM 0 HB3 GLU A 12 0.051 3.143 7.463 1.00 22.21 H new ATOM 0 HG2 GLU A 12 1.359 1.912 5.932 1.00 20.14 H new ATOM 0 HG3 GLU A 12 1.473 3.241 4.795 1.00 20.14 H new ATOM 171 N ILE A 13 -0.888 1.996 4.022 1.00 10.22 N ATOM 172 CA ILE A 13 -1.083 0.660 3.476 1.00 22.45 C ATOM 173 C ILE A 13 0.270 0.065 3.101 1.00 23.35 C ATOM 174 O ILE A 13 1.280 0.756 3.133 1.00 55.50 O ATOM 175 CB ILE A 13 -2.043 0.670 2.278 1.00 31.43 C ATOM 176 CG1 ILE A 13 -1.470 1.490 1.099 1.00 63.20 C ATOM 177 CG2 ILE A 13 -3.426 1.159 2.729 1.00 31.11 C ATOM 178 CD1 ILE A 13 -0.989 0.611 -0.055 1.00 72.22 C ATOM 0 H ILE A 13 -0.266 2.571 3.453 1.00 10.22 H new ATOM 0 HA ILE A 13 -1.547 0.035 4.239 1.00 22.45 H new ATOM 0 HB ILE A 13 -2.157 -0.347 1.902 1.00 31.43 H new ATOM 0 HG12 ILE A 13 -2.235 2.175 0.733 1.00 63.20 H new ATOM 0 HG13 ILE A 13 -0.640 2.100 1.456 1.00 63.20 H new ATOM 0 HG21 ILE A 13 -4.105 1.165 1.877 1.00 31.11 H new ATOM 0 HG22 ILE A 13 -3.815 0.492 3.498 1.00 31.11 H new ATOM 0 HG23 ILE A 13 -3.341 2.168 3.133 1.00 31.11 H new ATOM 0 HD11 ILE A 13 -0.597 1.241 -0.854 1.00 72.22 H new ATOM 0 HD12 ILE A 13 -0.203 -0.056 0.299 1.00 72.22 H new ATOM 0 HD13 ILE A 13 -1.823 0.021 -0.435 1.00 72.22 H new ATOM 190 N ILE A 14 0.313 -1.229 2.816 1.00 51.34 N ATOM 191 CA ILE A 14 1.483 -2.085 2.833 1.00 11.02 C ATOM 192 C ILE A 14 1.142 -3.188 1.841 1.00 15.01 C ATOM 193 O ILE A 14 0.474 -4.170 2.174 1.00 41.04 O ATOM 194 CB ILE A 14 1.799 -2.606 4.265 1.00 0.25 C ATOM 195 CG1 ILE A 14 2.052 -1.439 5.252 1.00 4.41 C ATOM 196 CG2 ILE A 14 3.016 -3.544 4.220 1.00 63.22 C ATOM 197 CD1 ILE A 14 2.180 -1.813 6.720 1.00 51.22 C ATOM 0 H ILE A 14 -0.528 -1.740 2.549 1.00 51.34 H new ATOM 0 HA ILE A 14 2.399 -1.566 2.549 1.00 11.02 H new ATOM 0 HB ILE A 14 0.931 -3.158 4.626 1.00 0.25 H new ATOM 0 HG12 ILE A 14 2.965 -0.927 4.949 1.00 4.41 H new ATOM 0 HG13 ILE A 14 1.236 -0.723 5.151 1.00 4.41 H new ATOM 0 HG21 ILE A 14 3.234 -3.906 5.225 1.00 63.22 H new ATOM 0 HG22 ILE A 14 2.799 -4.390 3.568 1.00 63.22 H new ATOM 0 HG23 ILE A 14 3.879 -3.001 3.835 1.00 63.22 H new ATOM 0 HD11 ILE A 14 2.355 -0.914 7.311 1.00 51.22 H new ATOM 0 HD12 ILE A 14 1.261 -2.294 7.055 1.00 51.22 H new ATOM 0 HD13 ILE A 14 3.016 -2.500 6.849 1.00 51.22 H new ATOM 209 N ILE A 15 1.557 -2.990 0.595 1.00 55.40 N ATOM 210 CA ILE A 15 1.411 -3.990 -0.444 1.00 51.04 C ATOM 211 C ILE A 15 2.387 -5.116 -0.090 1.00 73.01 C ATOM 212 O ILE A 15 3.599 -4.883 -0.001 1.00 41.43 O ATOM 213 CB ILE A 15 1.693 -3.361 -1.824 1.00 22.54 C ATOM 214 CG1 ILE A 15 0.901 -2.071 -2.116 1.00 53.53 C ATOM 215 CG2 ILE A 15 1.463 -4.407 -2.928 1.00 55.14 C ATOM 216 CD1 ILE A 15 -0.618 -2.156 -1.996 1.00 11.14 C ATOM 0 H ILE A 15 2.004 -2.129 0.281 1.00 55.40 H new ATOM 0 HA ILE A 15 0.398 -4.389 -0.503 1.00 51.04 H new ATOM 0 HB ILE A 15 2.738 -3.051 -1.808 1.00 22.54 H new ATOM 0 HG12 ILE A 15 1.253 -1.295 -1.436 1.00 53.53 H new ATOM 0 HG13 ILE A 15 1.144 -1.744 -3.127 1.00 53.53 H new ATOM 0 HG21 ILE A 15 1.663 -3.959 -3.901 1.00 55.14 H new ATOM 0 HG22 ILE A 15 2.133 -5.253 -2.773 1.00 55.14 H new ATOM 0 HG23 ILE A 15 0.430 -4.752 -2.893 1.00 55.14 H new ATOM 0 HD11 ILE A 15 -1.056 -1.185 -2.226 1.00 11.14 H new ATOM 0 HD12 ILE A 15 -0.997 -2.900 -2.696 1.00 11.14 H new ATOM 0 HD13 ILE A 15 -0.887 -2.444 -0.980 1.00 11.14 H new ATOM 228 N GLN A 16 1.878 -6.322 0.174 1.00 1.44 N ATOM 229 CA GLN A 16 2.727 -7.482 0.394 1.00 14.51 C ATOM 230 C GLN A 16 3.509 -7.825 -0.875 1.00 32.51 C ATOM 231 O GLN A 16 3.174 -7.388 -1.969 1.00 61.20 O ATOM 232 CB GLN A 16 1.892 -8.653 0.933 1.00 53.51 C ATOM 233 CG GLN A 16 2.672 -9.604 1.844 1.00 74.13 C ATOM 234 CD GLN A 16 1.792 -10.752 2.318 1.00 42.21 C ATOM 235 OE1 GLN A 16 1.248 -11.503 1.520 1.00 64.35 O ATOM 236 NE2 GLN A 16 1.661 -10.934 3.611 1.00 63.02 N ATOM 0 H GLN A 16 0.879 -6.515 0.239 1.00 1.44 H new ATOM 0 HA GLN A 16 3.472 -7.253 1.156 1.00 14.51 H new ATOM 0 HB2 GLN A 16 1.040 -8.255 1.484 1.00 53.51 H new ATOM 0 HB3 GLN A 16 1.492 -9.218 0.092 1.00 53.51 H new ATOM 0 HG2 GLN A 16 3.535 -10.000 1.308 1.00 74.13 H new ATOM 0 HG3 GLN A 16 3.055 -9.056 2.705 1.00 74.13 H new ATOM 0 HE21 GLN A 16 2.120 -10.300 4.264 1.00 63.02 H new ATOM 0 HE22 GLN A 16 1.100 -11.710 3.963 1.00 63.02 H new ATOM 245 N GLY A 17 4.576 -8.614 -0.751 1.00 43.01 N ATOM 246 CA GLY A 17 5.306 -9.164 -1.896 1.00 32.45 C ATOM 247 C GLY A 17 5.149 -10.673 -2.012 1.00 1.35 C ATOM 248 O GLY A 17 6.017 -11.329 -2.580 1.00 40.31 O ATOM 0 H GLY A 17 4.962 -8.892 0.152 1.00 43.01 H new ATOM 0 HA2 GLY A 17 4.949 -8.693 -2.812 1.00 32.45 H new ATOM 0 HA3 GLY A 17 6.364 -8.917 -1.802 1.00 32.45 H new ATOM 252 N LEU A 18 4.088 -11.230 -1.441 1.00 75.32 N ATOM 253 CA LEU A 18 3.596 -12.572 -1.655 1.00 23.03 C ATOM 254 C LEU A 18 2.376 -12.379 -2.530 1.00 71.54 C ATOM 255 O LEU A 18 1.602 -11.451 -2.274 1.00 22.23 O ATOM 256 CB LEU A 18 3.168 -13.144 -0.303 1.00 71.52 C ATOM 257 CG LEU A 18 3.894 -14.419 0.119 1.00 32.51 C ATOM 258 CD1 LEU A 18 5.340 -14.125 0.529 1.00 53.50 C ATOM 259 CD2 LEU A 18 3.132 -14.913 1.340 1.00 52.34 C ATOM 0 H LEU A 18 3.515 -10.716 -0.772 1.00 75.32 H new ATOM 0 HA LEU A 18 4.330 -13.243 -2.102 1.00 23.03 H new ATOM 0 HB2 LEU A 18 3.326 -12.384 0.462 1.00 71.52 H new ATOM 0 HB3 LEU A 18 2.098 -13.347 -0.334 1.00 71.52 H new ATOM 0 HG LEU A 18 3.927 -15.141 -0.697 1.00 32.51 H new ATOM 0 HD11 LEU A 18 5.830 -15.053 0.824 1.00 53.50 H new ATOM 0 HD12 LEU A 18 5.874 -13.684 -0.313 1.00 53.50 H new ATOM 0 HD13 LEU A 18 5.346 -13.429 1.368 1.00 53.50 H new ATOM 0 HD21 LEU A 18 3.591 -15.831 1.708 1.00 52.34 H new ATOM 0 HD22 LEU A 18 3.163 -14.153 2.121 1.00 52.34 H new ATOM 0 HD23 LEU A 18 2.095 -15.110 1.067 1.00 52.34 H new ATOM 271 N THR A 19 2.197 -13.215 -3.546 1.00 61.30 N ATOM 272 CA THR A 19 0.917 -13.264 -4.217 1.00 71.22 C ATOM 273 C THR A 19 -0.087 -13.929 -3.281 1.00 44.42 C ATOM 274 O THR A 19 0.293 -14.671 -2.374 1.00 24.50 O ATOM 275 CB THR A 19 0.993 -13.929 -5.601 1.00 4.32 C ATOM 276 OG1 THR A 19 0.955 -15.337 -5.572 1.00 32.40 O ATOM 277 CG2 THR A 19 2.245 -13.524 -6.391 1.00 42.12 C ATOM 0 H THR A 19 2.906 -13.851 -3.912 1.00 61.30 H new ATOM 0 HA THR A 19 0.581 -12.250 -4.433 1.00 71.22 H new ATOM 0 HB THR A 19 0.094 -13.561 -6.095 1.00 4.32 H new ATOM 0 HG1 THR A 19 1.006 -15.685 -6.487 1.00 32.40 H new ATOM 0 HG21 THR A 19 2.242 -14.025 -7.359 1.00 42.12 H new ATOM 0 HG22 THR A 19 2.247 -12.444 -6.541 1.00 42.12 H new ATOM 0 HG23 THR A 19 3.136 -13.814 -5.834 1.00 42.12 H new ATOM 285 N ARG A 20 -1.369 -13.755 -3.583 1.00 71.43 N ATOM 286 CA ARG A 20 -2.493 -14.449 -2.968 1.00 60.21 C ATOM 287 C ARG A 20 -2.357 -15.974 -2.932 1.00 34.33 C ATOM 288 O ARG A 20 -3.085 -16.641 -2.200 1.00 12.51 O ATOM 289 CB ARG A 20 -3.771 -14.060 -3.696 1.00 22.23 C ATOM 290 CG ARG A 20 -3.737 -14.445 -5.177 1.00 44.21 C ATOM 291 CD ARG A 20 -4.965 -13.851 -5.842 1.00 43.42 C ATOM 292 NE ARG A 20 -4.915 -14.100 -7.291 1.00 0.53 N ATOM 293 CZ ARG A 20 -5.620 -14.992 -7.987 1.00 62.33 C ATOM 294 NH1 ARG A 20 -6.723 -15.559 -7.497 1.00 1.52 N ATOM 295 NH2 ARG A 20 -5.151 -15.357 -9.169 1.00 64.23 N ATOM 0 H ARG A 20 -1.667 -13.093 -4.299 1.00 71.43 H new ATOM 0 HA ARG A 20 -2.517 -14.135 -1.924 1.00 60.21 H new ATOM 0 HB2 ARG A 20 -4.621 -14.545 -3.216 1.00 22.23 H new ATOM 0 HB3 ARG A 20 -3.925 -12.985 -3.606 1.00 22.23 H new ATOM 0 HG2 ARG A 20 -2.829 -14.069 -5.648 1.00 44.21 H new ATOM 0 HG3 ARG A 20 -3.729 -15.529 -5.289 1.00 44.21 H new ATOM 0 HD2 ARG A 20 -5.868 -14.291 -5.419 1.00 43.42 H new ATOM 0 HD3 ARG A 20 -5.012 -12.779 -5.649 1.00 43.42 H new ATOM 0 HE ARG A 20 -4.265 -13.523 -7.825 1.00 0.53 H new ATOM 0 HH11 ARG A 20 -7.051 -15.314 -6.563 1.00 1.52 H new ATOM 0 HH12 ARG A 20 -7.239 -16.238 -8.056 1.00 1.52 H new ATOM 0 HH21 ARG A 20 -4.279 -14.958 -9.517 1.00 64.23 H new ATOM 0 HH22 ARG A 20 -5.661 -16.037 -9.732 1.00 64.23 H new ATOM 309 N ALA A 21 -1.491 -16.536 -3.776 1.00 61.54 N ATOM 310 CA ALA A 21 -1.191 -17.959 -3.833 1.00 32.02 C ATOM 311 C ALA A 21 -0.243 -18.410 -2.720 1.00 4.33 C ATOM 312 O ALA A 21 0.065 -19.601 -2.639 1.00 73.13 O ATOM 313 CB ALA A 21 -0.577 -18.290 -5.198 1.00 21.41 C ATOM 0 H ALA A 21 -0.964 -15.992 -4.459 1.00 61.54 H new ATOM 0 HA ALA A 21 -2.128 -18.497 -3.690 1.00 32.02 H new ATOM 0 HB1 ALA A 21 -0.350 -19.355 -5.246 1.00 21.41 H new ATOM 0 HB2 ALA A 21 -1.284 -18.033 -5.987 1.00 21.41 H new ATOM 0 HB3 ALA A 21 0.341 -17.717 -5.333 1.00 21.41 H new ATOM 319 N GLY A 22 0.272 -17.486 -1.906 1.00 24.44 N ATOM 320 CA GLY A 22 1.249 -17.791 -0.877 1.00 1.03 C ATOM 321 C GLY A 22 2.669 -17.951 -1.424 1.00 12.23 C ATOM 322 O GLY A 22 3.549 -18.362 -0.669 1.00 64.42 O ATOM 0 H GLY A 22 0.016 -16.500 -1.949 1.00 24.44 H new ATOM 0 HA2 GLY A 22 1.241 -16.997 -0.131 1.00 1.03 H new ATOM 0 HA3 GLY A 22 0.957 -18.710 -0.368 1.00 1.03 H new ATOM 326 N LYS A 23 2.932 -17.638 -2.704 1.00 2.52 N ATOM 327 CA LYS A 23 4.293 -17.655 -3.245 1.00 63.34 C ATOM 328 C LYS A 23 4.860 -16.239 -3.197 1.00 74.31 C ATOM 329 O LYS A 23 4.116 -15.291 -3.453 1.00 51.11 O ATOM 330 CB LYS A 23 4.342 -18.143 -4.705 1.00 73.31 C ATOM 331 CG LYS A 23 4.312 -19.670 -4.879 1.00 14.43 C ATOM 332 CD LYS A 23 2.903 -20.263 -4.965 1.00 63.12 C ATOM 333 CE LYS A 23 3.025 -21.738 -5.367 1.00 20.31 C ATOM 334 NZ LYS A 23 1.716 -22.390 -5.560 1.00 21.31 N ATOM 0 H LYS A 23 2.217 -17.371 -3.380 1.00 2.52 H new ATOM 0 HA LYS A 23 4.877 -18.346 -2.637 1.00 63.34 H new ATOM 0 HB2 LYS A 23 3.498 -17.714 -5.245 1.00 73.31 H new ATOM 0 HB3 LYS A 23 5.248 -17.757 -5.172 1.00 73.31 H new ATOM 0 HG2 LYS A 23 4.861 -19.932 -5.784 1.00 14.43 H new ATOM 0 HG3 LYS A 23 4.838 -20.130 -4.042 1.00 14.43 H new ATOM 0 HD2 LYS A 23 2.393 -20.172 -4.006 1.00 63.12 H new ATOM 0 HD3 LYS A 23 2.306 -19.718 -5.696 1.00 63.12 H new ATOM 0 HE2 LYS A 23 3.601 -21.812 -6.289 1.00 20.31 H new ATOM 0 HE3 LYS A 23 3.583 -22.274 -4.599 1.00 20.31 H new ATOM 0 HZ1 LYS A 23 1.860 -23.384 -5.830 1.00 21.31 H new ATOM 0 HZ2 LYS A 23 1.173 -22.347 -4.674 1.00 21.31 H new ATOM 0 HZ3 LYS A 23 1.191 -21.899 -6.312 1.00 21.31 H new ATOM 348 N PRO A 24 6.164 -16.072 -2.943 1.00 63.31 N ATOM 349 CA PRO A 24 6.829 -14.780 -3.010 1.00 61.12 C ATOM 350 C PRO A 24 6.997 -14.344 -4.466 1.00 1.11 C ATOM 351 O PRO A 24 7.256 -15.168 -5.344 1.00 51.13 O ATOM 352 CB PRO A 24 8.177 -14.995 -2.332 1.00 4.24 C ATOM 353 CG PRO A 24 8.485 -16.465 -2.616 1.00 13.15 C ATOM 354 CD PRO A 24 7.110 -17.127 -2.618 1.00 11.34 C ATOM 0 HA PRO A 24 6.259 -13.990 -2.520 1.00 61.12 H new ATOM 0 HB2 PRO A 24 8.943 -14.337 -2.743 1.00 4.24 H new ATOM 0 HB3 PRO A 24 8.125 -14.795 -1.262 1.00 4.24 H new ATOM 0 HG2 PRO A 24 8.992 -16.591 -3.573 1.00 13.15 H new ATOM 0 HG3 PRO A 24 9.135 -16.893 -1.853 1.00 13.15 H new ATOM 0 HD2 PRO A 24 7.065 -17.932 -3.351 1.00 11.34 H new ATOM 0 HD3 PRO A 24 6.886 -17.567 -1.646 1.00 11.34 H new ATOM 362 N PHE A 25 6.877 -13.042 -4.711 1.00 0.10 N ATOM 363 CA PHE A 25 6.986 -12.435 -6.023 1.00 23.24 C ATOM 364 C PHE A 25 8.435 -11.988 -6.255 1.00 32.21 C ATOM 365 O PHE A 25 9.160 -11.718 -5.287 1.00 72.33 O ATOM 366 CB PHE A 25 6.000 -11.260 -6.035 1.00 33.25 C ATOM 367 CG PHE A 25 5.969 -10.474 -7.321 1.00 71.21 C ATOM 368 CD1 PHE A 25 5.726 -11.137 -8.539 1.00 35.24 C ATOM 369 CD2 PHE A 25 6.189 -9.083 -7.302 1.00 43.21 C ATOM 370 CE1 PHE A 25 5.742 -10.412 -9.738 1.00 14.22 C ATOM 371 CE2 PHE A 25 6.176 -8.361 -8.504 1.00 52.42 C ATOM 372 CZ PHE A 25 5.961 -9.022 -9.721 1.00 44.12 C ATOM 0 H PHE A 25 6.695 -12.362 -3.973 1.00 0.10 H new ATOM 0 HA PHE A 25 6.741 -13.126 -6.830 1.00 23.24 H new ATOM 0 HB2 PHE A 25 4.999 -11.642 -5.835 1.00 33.25 H new ATOM 0 HB3 PHE A 25 6.252 -10.584 -5.218 1.00 33.25 H new ATOM 0 HD1 PHE A 25 5.528 -12.199 -8.549 1.00 35.24 H new ATOM 0 HD2 PHE A 25 6.367 -8.575 -6.366 1.00 43.21 H new ATOM 0 HE1 PHE A 25 5.586 -10.921 -10.678 1.00 14.22 H new ATOM 0 HE2 PHE A 25 6.332 -7.292 -8.492 1.00 52.42 H new ATOM 0 HZ PHE A 25 5.963 -8.464 -10.646 1.00 44.12 H new ATOM 382 N ARG A 26 8.859 -11.904 -7.523 1.00 4.04 N ATOM 383 CA ARG A 26 10.169 -11.393 -7.927 1.00 45.33 C ATOM 384 C ARG A 26 9.988 -10.233 -8.917 1.00 20.31 C ATOM 385 O ARG A 26 8.947 -10.170 -9.570 1.00 23.24 O ATOM 386 CB ARG A 26 11.030 -12.494 -8.575 1.00 53.34 C ATOM 387 CG ARG A 26 11.862 -13.330 -7.600 1.00 43.25 C ATOM 388 CD ARG A 26 11.067 -14.331 -6.753 1.00 65.34 C ATOM 389 NE ARG A 26 11.986 -15.069 -5.875 1.00 64.13 N ATOM 390 CZ ARG A 26 11.862 -16.298 -5.369 1.00 71.24 C ATOM 391 NH1 ARG A 26 10.799 -17.049 -5.651 1.00 64.30 N ATOM 392 NH2 ARG A 26 12.818 -16.766 -4.573 1.00 50.53 N ATOM 0 H ARG A 26 8.284 -12.197 -8.313 1.00 4.04 H new ATOM 0 HA ARG A 26 10.684 -11.043 -7.032 1.00 45.33 H new ATOM 0 HB2 ARG A 26 10.376 -13.162 -9.135 1.00 53.34 H new ATOM 0 HB3 ARG A 26 11.703 -12.029 -9.296 1.00 53.34 H new ATOM 0 HG2 ARG A 26 12.616 -13.877 -8.167 1.00 43.25 H new ATOM 0 HG3 ARG A 26 12.394 -12.655 -6.930 1.00 43.25 H new ATOM 0 HD2 ARG A 26 10.320 -13.807 -6.157 1.00 65.34 H new ATOM 0 HD3 ARG A 26 10.529 -15.024 -7.400 1.00 65.34 H new ATOM 0 HE ARG A 26 12.838 -14.572 -5.616 1.00 64.13 H new ATOM 0 HH11 ARG A 26 10.066 -16.687 -6.261 1.00 64.30 H new ATOM 0 HH12 ARG A 26 10.718 -17.986 -5.257 1.00 64.30 H new ATOM 0 HH21 ARG A 26 13.630 -16.188 -4.357 1.00 50.53 H new ATOM 0 HH22 ARG A 26 12.739 -17.703 -4.178 1.00 50.53 H new ATOM 406 N PRO A 27 11.007 -9.383 -9.126 1.00 43.32 N ATOM 407 CA PRO A 27 12.258 -9.365 -8.376 1.00 63.23 C ATOM 408 C PRO A 27 11.960 -8.963 -6.931 1.00 12.32 C ATOM 409 O PRO A 27 11.031 -8.195 -6.685 1.00 25.04 O ATOM 410 CB PRO A 27 13.144 -8.341 -9.093 1.00 52.22 C ATOM 411 CG PRO A 27 12.136 -7.378 -9.720 1.00 53.15 C ATOM 412 CD PRO A 27 10.955 -8.279 -10.072 1.00 31.32 C ATOM 0 HA PRO A 27 12.758 -10.333 -8.337 1.00 63.23 H new ATOM 0 HB2 PRO A 27 13.810 -7.829 -8.398 1.00 52.22 H new ATOM 0 HB3 PRO A 27 13.773 -8.813 -9.848 1.00 52.22 H new ATOM 0 HG2 PRO A 27 11.847 -6.590 -9.024 1.00 53.15 H new ATOM 0 HG3 PRO A 27 12.545 -6.888 -10.604 1.00 53.15 H new ATOM 0 HD2 PRO A 27 10.012 -7.738 -9.991 1.00 31.32 H new ATOM 0 HD3 PRO A 27 11.029 -8.639 -11.098 1.00 31.32 H new ATOM 420 N SER A 28 12.697 -9.504 -5.960 1.00 11.14 N ATOM 421 CA SER A 28 12.464 -9.205 -4.543 1.00 61.41 C ATOM 422 C SER A 28 12.607 -7.700 -4.283 1.00 13.15 C ATOM 423 O SER A 28 11.902 -7.140 -3.444 1.00 65.02 O ATOM 424 CB SER A 28 13.418 -10.022 -3.653 1.00 33.04 C ATOM 425 OG SER A 28 14.501 -10.574 -4.376 1.00 44.24 O ATOM 0 H SER A 28 13.464 -10.155 -6.128 1.00 11.14 H new ATOM 0 HA SER A 28 11.444 -9.493 -4.288 1.00 61.41 H new ATOM 0 HB2 SER A 28 13.805 -9.383 -2.859 1.00 33.04 H new ATOM 0 HB3 SER A 28 12.861 -10.826 -3.172 1.00 33.04 H new ATOM 0 HG SER A 28 15.077 -11.081 -3.766 1.00 44.24 H new ATOM 431 N ASP A 29 13.473 -7.072 -5.073 1.00 62.12 N ATOM 432 CA ASP A 29 13.891 -5.682 -5.096 1.00 42.44 C ATOM 433 C ASP A 29 12.781 -4.723 -5.537 1.00 13.45 C ATOM 434 O ASP A 29 13.004 -3.511 -5.529 1.00 4.14 O ATOM 435 CB ASP A 29 15.083 -5.551 -6.060 1.00 23.41 C ATOM 436 CG ASP A 29 16.227 -6.515 -5.740 1.00 53.31 C ATOM 437 OD1 ASP A 29 16.089 -7.728 -6.037 1.00 64.11 O ATOM 438 OD2 ASP A 29 17.277 -6.067 -5.223 1.00 52.12 O ATOM 0 H ASP A 29 13.956 -7.597 -5.802 1.00 62.12 H new ATOM 0 HA ASP A 29 14.161 -5.403 -4.077 1.00 42.44 H new ATOM 0 HB2 ASP A 29 14.739 -5.731 -7.079 1.00 23.41 H new ATOM 0 HB3 ASP A 29 15.458 -4.528 -6.026 1.00 23.41 H new ATOM 443 N TRP A 30 11.588 -5.210 -5.917 1.00 75.45 N ATOM 444 CA TRP A 30 10.497 -4.367 -6.422 1.00 71.51 C ATOM 445 C TRP A 30 10.157 -3.219 -5.459 1.00 54.04 C ATOM 446 O TRP A 30 9.760 -2.131 -5.881 1.00 41.11 O ATOM 447 CB TRP A 30 9.254 -5.220 -6.752 1.00 22.32 C ATOM 448 CG TRP A 30 8.429 -5.759 -5.609 1.00 33.40 C ATOM 449 CD1 TRP A 30 8.453 -7.025 -5.122 1.00 71.03 C ATOM 450 CD2 TRP A 30 7.373 -5.076 -4.858 1.00 62.22 C ATOM 451 NE1 TRP A 30 7.535 -7.153 -4.105 1.00 1.20 N ATOM 452 CE2 TRP A 30 6.807 -5.999 -3.929 1.00 0.32 C ATOM 453 CE3 TRP A 30 6.822 -3.776 -4.872 1.00 3.12 C ATOM 454 CZ2 TRP A 30 5.754 -5.652 -3.066 1.00 2.10 C ATOM 455 CZ3 TRP A 30 5.744 -3.434 -4.037 1.00 23.45 C ATOM 456 CH2 TRP A 30 5.205 -4.375 -3.154 1.00 20.24 C ATOM 0 H TRP A 30 11.355 -6.202 -5.882 1.00 75.45 H new ATOM 0 HA TRP A 30 10.843 -3.904 -7.346 1.00 71.51 H new ATOM 0 HB2 TRP A 30 8.597 -4.620 -7.381 1.00 22.32 H new ATOM 0 HB3 TRP A 30 9.583 -6.068 -7.353 1.00 22.32 H new ATOM 0 HD1 TRP A 30 9.097 -7.815 -5.479 1.00 71.03 H new ATOM 0 HE1 TRP A 30 7.410 -7.999 -3.550 1.00 1.20 H new ATOM 0 HE3 TRP A 30 7.236 -3.031 -5.536 1.00 3.12 H new ATOM 0 HZ2 TRP A 30 5.377 -6.364 -2.346 1.00 2.10 H new ATOM 0 HZ3 TRP A 30 5.329 -2.438 -4.078 1.00 23.45 H new ATOM 0 HH2 TRP A 30 4.359 -4.110 -2.537 1.00 20.24 H new ATOM 467 N VAL A 31 10.350 -3.458 -4.163 1.00 43.02 N ATOM 468 CA VAL A 31 10.120 -2.525 -3.074 1.00 22.54 C ATOM 469 C VAL A 31 11.050 -1.310 -3.183 1.00 30.54 C ATOM 470 O VAL A 31 10.602 -0.171 -3.024 1.00 50.15 O ATOM 471 CB VAL A 31 10.308 -3.311 -1.759 1.00 30.34 C ATOM 472 CG1 VAL A 31 10.167 -2.443 -0.509 1.00 72.52 C ATOM 473 CG2 VAL A 31 9.297 -4.469 -1.700 1.00 52.21 C ATOM 0 H VAL A 31 10.690 -4.361 -3.832 1.00 43.02 H new ATOM 0 HA VAL A 31 9.110 -2.115 -3.109 1.00 22.54 H new ATOM 0 HB VAL A 31 11.329 -3.691 -1.764 1.00 30.34 H new ATOM 0 HG11 VAL A 31 10.311 -3.058 0.379 1.00 72.52 H new ATOM 0 HG12 VAL A 31 10.917 -1.653 -0.528 1.00 72.52 H new ATOM 0 HG13 VAL A 31 9.172 -1.998 -0.485 1.00 72.52 H new ATOM 0 HG21 VAL A 31 9.432 -5.023 -0.771 1.00 52.21 H new ATOM 0 HG22 VAL A 31 8.284 -4.070 -1.741 1.00 52.21 H new ATOM 0 HG23 VAL A 31 9.458 -5.136 -2.546 1.00 52.21 H new ATOM 483 N ASP A 32 12.340 -1.531 -3.442 1.00 23.13 N ATOM 484 CA ASP A 32 13.325 -0.454 -3.563 1.00 20.41 C ATOM 485 C ASP A 32 13.203 0.207 -4.936 1.00 12.52 C ATOM 486 O ASP A 32 13.531 1.385 -5.110 1.00 53.13 O ATOM 487 CB ASP A 32 14.754 -0.981 -3.370 1.00 22.25 C ATOM 488 CG ASP A 32 15.058 -1.313 -1.912 1.00 35.14 C ATOM 489 OD1 ASP A 32 14.803 -2.471 -1.501 1.00 64.32 O ATOM 490 OD2 ASP A 32 15.590 -0.436 -1.195 1.00 22.34 O ATOM 0 H ASP A 32 12.732 -2.463 -3.574 1.00 23.13 H new ATOM 0 HA ASP A 32 13.123 0.278 -2.781 1.00 20.41 H new ATOM 0 HB2 ASP A 32 14.895 -1.873 -3.980 1.00 22.25 H new ATOM 0 HB3 ASP A 32 15.465 -0.235 -3.726 1.00 22.25 H new ATOM 495 N ARG A 33 12.708 -0.521 -5.941 1.00 25.51 N ATOM 496 CA ARG A 33 12.384 0.086 -7.227 1.00 41.25 C ATOM 497 C ARG A 33 11.242 1.082 -7.046 1.00 73.03 C ATOM 498 O ARG A 33 11.354 2.200 -7.556 1.00 22.43 O ATOM 499 CB ARG A 33 12.069 -0.978 -8.288 1.00 32.44 C ATOM 500 CG ARG A 33 13.277 -1.893 -8.571 1.00 25.01 C ATOM 501 CD ARG A 33 13.739 -1.841 -10.031 1.00 65.00 C ATOM 502 NE ARG A 33 14.359 -0.564 -10.423 1.00 53.55 N ATOM 503 CZ ARG A 33 15.642 -0.222 -10.247 1.00 72.35 C ATOM 504 NH1 ARG A 33 16.457 -0.944 -9.490 1.00 72.24 N ATOM 505 NH2 ARG A 33 16.139 0.848 -10.849 1.00 43.23 N ATOM 0 H ARG A 33 12.525 -1.523 -5.886 1.00 25.51 H new ATOM 0 HA ARG A 33 13.254 0.629 -7.595 1.00 41.25 H new ATOM 0 HB2 ARG A 33 11.227 -1.584 -7.954 1.00 32.44 H new ATOM 0 HB3 ARG A 33 11.762 -0.488 -9.212 1.00 32.44 H new ATOM 0 HG2 ARG A 33 14.105 -1.603 -7.923 1.00 25.01 H new ATOM 0 HG3 ARG A 33 13.016 -2.920 -8.315 1.00 25.01 H new ATOM 0 HD2 ARG A 33 14.453 -2.647 -10.203 1.00 65.00 H new ATOM 0 HD3 ARG A 33 12.883 -2.030 -10.678 1.00 65.00 H new ATOM 0 HE ARG A 33 13.754 0.125 -10.871 1.00 53.55 H new ATOM 0 HH11 ARG A 33 16.111 -1.783 -9.024 1.00 72.24 H new ATOM 0 HH12 ARG A 33 17.430 -0.660 -9.373 1.00 72.24 H new ATOM 0 HH21 ARG A 33 15.544 1.417 -11.451 1.00 43.23 H new ATOM 0 HH22 ARG A 33 17.117 1.103 -10.711 1.00 43.23 H new ATOM 519 N MET A 34 10.181 0.722 -6.316 1.00 11.14 N ATOM 520 CA MET A 34 9.042 1.605 -6.091 1.00 52.01 C ATOM 521 C MET A 34 9.463 2.882 -5.375 1.00 71.12 C ATOM 522 O MET A 34 9.143 3.960 -5.870 1.00 64.32 O ATOM 523 CB MET A 34 7.895 0.901 -5.350 1.00 33.31 C ATOM 524 CG MET A 34 7.097 0.035 -6.326 1.00 51.53 C ATOM 525 SD MET A 34 5.424 -0.398 -5.823 1.00 41.14 S ATOM 526 CE MET A 34 4.724 -0.603 -7.481 1.00 65.31 C ATOM 0 H MET A 34 10.092 -0.189 -5.867 1.00 11.14 H new ATOM 0 HA MET A 34 8.660 1.882 -7.073 1.00 52.01 H new ATOM 0 HB2 MET A 34 8.295 0.283 -4.546 1.00 33.31 H new ATOM 0 HB3 MET A 34 7.241 1.641 -4.888 1.00 33.31 H new ATOM 0 HG2 MET A 34 7.043 0.557 -7.281 1.00 51.53 H new ATOM 0 HG3 MET A 34 7.652 -0.887 -6.498 1.00 51.53 H new ATOM 0 HE1 MET A 34 3.693 -0.947 -7.401 1.00 65.31 H new ATOM 0 HE2 MET A 34 4.748 0.352 -8.007 1.00 65.31 H new ATOM 0 HE3 MET A 34 5.309 -1.337 -8.035 1.00 65.31 H new ATOM 536 N CYS A 35 10.204 2.812 -4.262 1.00 1.34 N ATOM 537 CA CYS A 35 10.593 4.047 -3.575 1.00 61.41 C ATOM 538 C CYS A 35 11.414 4.954 -4.500 1.00 71.44 C ATOM 539 O CYS A 35 11.168 6.153 -4.564 1.00 72.55 O ATOM 540 CB CYS A 35 11.313 3.769 -2.251 1.00 53.15 C ATOM 541 SG CYS A 35 12.877 2.903 -2.507 1.00 32.34 S ATOM 0 H CYS A 35 10.535 1.948 -3.832 1.00 1.34 H new ATOM 0 HA CYS A 35 9.679 4.582 -3.318 1.00 61.41 H new ATOM 0 HB2 CYS A 35 11.499 4.710 -1.734 1.00 53.15 H new ATOM 0 HB3 CYS A 35 10.669 3.172 -1.605 1.00 53.15 H new ATOM 0 HG CYS A 35 13.862 3.746 -2.404 1.00 32.34 H new ATOM 547 N SER A 36 12.334 4.391 -5.289 1.00 10.34 N ATOM 548 CA SER A 36 13.133 5.166 -6.233 1.00 15.42 C ATOM 549 C SER A 36 12.284 5.826 -7.334 1.00 61.21 C ATOM 550 O SER A 36 12.677 6.861 -7.864 1.00 61.12 O ATOM 551 CB SER A 36 14.209 4.282 -6.853 1.00 22.12 C ATOM 552 OG SER A 36 14.935 3.532 -5.889 1.00 12.32 O ATOM 0 H SER A 36 12.542 3.392 -5.289 1.00 10.34 H new ATOM 0 HA SER A 36 13.599 5.974 -5.670 1.00 15.42 H new ATOM 0 HB2 SER A 36 13.745 3.598 -7.563 1.00 22.12 H new ATOM 0 HB3 SER A 36 14.902 4.905 -7.418 1.00 22.12 H new ATOM 0 HG SER A 36 14.394 2.771 -5.591 1.00 12.32 H new ATOM 558 N THR A 37 11.123 5.256 -7.668 1.00 34.21 N ATOM 559 CA THR A 37 10.190 5.802 -8.652 1.00 42.33 C ATOM 560 C THR A 37 9.592 7.110 -8.119 1.00 32.12 C ATOM 561 O THR A 37 9.381 8.058 -8.877 1.00 4.22 O ATOM 562 CB THR A 37 9.095 4.758 -8.959 1.00 33.24 C ATOM 563 OG1 THR A 37 9.679 3.508 -9.299 1.00 0.01 O ATOM 564 CG2 THR A 37 8.191 5.166 -10.118 1.00 13.21 C ATOM 0 H THR A 37 10.800 4.383 -7.251 1.00 34.21 H new ATOM 0 HA THR A 37 10.712 6.025 -9.583 1.00 42.33 H new ATOM 0 HB THR A 37 8.496 4.685 -8.051 1.00 33.24 H new ATOM 0 HG1 THR A 37 10.111 3.123 -8.508 1.00 0.01 H new ATOM 0 HG21 THR A 37 7.442 4.392 -10.285 1.00 13.21 H new ATOM 0 HG22 THR A 37 7.694 6.106 -9.878 1.00 13.21 H new ATOM 0 HG23 THR A 37 8.790 5.292 -11.020 1.00 13.21 H new ATOM 572 N TYR A 38 9.382 7.189 -6.805 1.00 4.22 N ATOM 573 CA TYR A 38 8.849 8.343 -6.108 1.00 53.32 C ATOM 574 C TYR A 38 9.947 8.859 -5.182 1.00 3.43 C ATOM 575 O TYR A 38 9.842 8.841 -3.949 1.00 43.14 O ATOM 576 CB TYR A 38 7.547 7.941 -5.415 1.00 13.22 C ATOM 577 CG TYR A 38 6.457 7.524 -6.387 1.00 1.13 C ATOM 578 CD1 TYR A 38 5.765 8.508 -7.120 1.00 74.32 C ATOM 579 CD2 TYR A 38 6.177 6.159 -6.605 1.00 52.35 C ATOM 580 CE1 TYR A 38 4.792 8.130 -8.063 1.00 32.34 C ATOM 581 CE2 TYR A 38 5.218 5.777 -7.561 1.00 71.15 C ATOM 582 CZ TYR A 38 4.530 6.764 -8.300 1.00 14.42 C ATOM 583 OH TYR A 38 3.610 6.414 -9.233 1.00 53.04 O ATOM 0 H TYR A 38 9.590 6.413 -6.177 1.00 4.22 H new ATOM 0 HA TYR A 38 8.580 9.166 -6.770 1.00 53.32 H new ATOM 0 HB2 TYR A 38 7.747 7.118 -4.729 1.00 13.22 H new ATOM 0 HB3 TYR A 38 7.189 8.777 -4.815 1.00 13.22 H new ATOM 0 HD1 TYR A 38 5.982 9.554 -6.958 1.00 74.32 H new ATOM 0 HD2 TYR A 38 6.700 5.405 -6.036 1.00 52.35 H new ATOM 0 HE1 TYR A 38 4.245 8.886 -8.606 1.00 32.34 H new ATOM 0 HE2 TYR A 38 5.009 4.731 -7.729 1.00 71.15 H new ATOM 0 HH TYR A 38 3.545 5.437 -9.278 1.00 53.04 H new ATOM 593 N ALA A 39 11.039 9.283 -5.818 1.00 62.43 N ATOM 594 CA ALA A 39 12.181 9.939 -5.206 1.00 2.11 C ATOM 595 C ALA A 39 12.673 11.082 -6.107 1.00 23.35 C ATOM 596 O ALA A 39 12.200 11.221 -7.240 1.00 52.23 O ATOM 597 CB ALA A 39 13.256 8.872 -5.003 1.00 71.30 C ATOM 0 H ALA A 39 11.151 9.170 -6.825 1.00 62.43 H new ATOM 0 HA ALA A 39 11.921 10.384 -4.246 1.00 2.11 H new ATOM 0 HB1 ALA A 39 14.135 9.324 -4.544 1.00 71.30 H new ATOM 0 HB2 ALA A 39 12.871 8.086 -4.353 1.00 71.30 H new ATOM 0 HB3 ALA A 39 13.530 8.444 -5.967 1.00 71.30 H new ATOM 603 N SER A 40 13.618 11.879 -5.607 1.00 54.33 N ATOM 604 CA SER A 40 14.426 12.869 -6.321 1.00 72.31 C ATOM 605 C SER A 40 15.702 13.104 -5.521 1.00 21.15 C ATOM 606 O SER A 40 15.862 12.572 -4.424 1.00 5.21 O ATOM 607 CB SER A 40 13.643 14.172 -6.523 1.00 53.13 C ATOM 608 OG SER A 40 12.906 14.067 -7.723 1.00 44.41 O ATOM 0 H SER A 40 13.857 11.847 -4.616 1.00 54.33 H new ATOM 0 HA SER A 40 14.680 12.500 -7.314 1.00 72.31 H new ATOM 0 HB2 SER A 40 12.974 14.347 -5.681 1.00 53.13 H new ATOM 0 HB3 SER A 40 14.325 15.021 -6.570 1.00 53.13 H new ATOM 0 HG SER A 40 12.544 13.160 -7.807 1.00 44.41 H new ATOM 728 N ARG A 48 16.904 10.695 -2.684 1.00 10.33 N ATOM 729 CA ARG A 48 16.225 10.663 -1.400 1.00 73.13 C ATOM 730 C ARG A 48 14.799 10.243 -1.710 1.00 33.15 C ATOM 731 O ARG A 48 14.094 10.911 -2.467 1.00 53.13 O ATOM 732 CB ARG A 48 16.292 12.031 -0.689 1.00 62.00 C ATOM 733 CG ARG A 48 17.066 11.947 0.636 1.00 54.23 C ATOM 734 CD ARG A 48 16.280 11.251 1.757 1.00 75.10 C ATOM 735 NE ARG A 48 17.102 11.126 2.974 1.00 72.11 N ATOM 736 CZ ARG A 48 16.964 10.223 3.952 1.00 1.12 C ATOM 737 NH1 ARG A 48 15.935 9.383 3.985 1.00 43.00 N ATOM 738 NH2 ARG A 48 17.874 10.176 4.915 1.00 11.21 N ATOM 0 HA ARG A 48 16.697 9.966 -0.708 1.00 73.13 H new ATOM 0 HB2 ARG A 48 16.771 12.758 -1.344 1.00 62.00 H new ATOM 0 HB3 ARG A 48 15.281 12.391 -0.498 1.00 62.00 H new ATOM 0 HG2 ARG A 48 18.000 11.410 0.470 1.00 54.23 H new ATOM 0 HG3 ARG A 48 17.330 12.954 0.959 1.00 54.23 H new ATOM 0 HD2 ARG A 48 15.376 11.818 1.980 1.00 75.10 H new ATOM 0 HD3 ARG A 48 15.962 10.263 1.425 1.00 75.10 H new ATOM 0 HE ARG A 48 17.859 11.801 3.083 1.00 72.11 H new ATOM 0 HH11 ARG A 48 15.226 9.417 3.253 1.00 43.00 H new ATOM 0 HH12 ARG A 48 15.855 8.705 4.742 1.00 43.00 H new ATOM 0 HH21 ARG A 48 18.663 10.822 4.903 1.00 11.21 H new ATOM 0 HH22 ARG A 48 17.785 9.494 5.668 1.00 11.21 H new ATOM 752 N TYR A 49 14.419 9.082 -1.190 1.00 44.14 N ATOM 753 CA TYR A 49 13.072 8.553 -1.284 1.00 52.21 C ATOM 754 C TYR A 49 12.114 9.518 -0.597 1.00 73.24 C ATOM 755 O TYR A 49 12.447 10.037 0.476 1.00 54.32 O ATOM 756 CB TYR A 49 13.054 7.183 -0.590 1.00 51.51 C ATOM 757 CG TYR A 49 14.096 6.197 -1.085 1.00 42.10 C ATOM 758 CD1 TYR A 49 14.352 6.069 -2.460 1.00 44.34 C ATOM 759 CD2 TYR A 49 14.813 5.405 -0.168 1.00 62.03 C ATOM 760 CE1 TYR A 49 15.324 5.168 -2.918 1.00 51.14 C ATOM 761 CE2 TYR A 49 15.759 4.468 -0.617 1.00 61.43 C ATOM 762 CZ TYR A 49 16.006 4.337 -2.002 1.00 4.32 C ATOM 763 OH TYR A 49 16.880 3.402 -2.463 1.00 4.43 O ATOM 0 H TYR A 49 15.057 8.471 -0.680 1.00 44.14 H new ATOM 0 HA TYR A 49 12.762 8.439 -2.323 1.00 52.21 H new ATOM 0 HB2 TYR A 49 13.198 7.333 0.480 1.00 51.51 H new ATOM 0 HB3 TYR A 49 12.067 6.740 -0.720 1.00 51.51 H new ATOM 0 HD1 TYR A 49 13.798 6.667 -3.168 1.00 44.34 H new ATOM 0 HD2 TYR A 49 14.634 5.519 0.891 1.00 62.03 H new ATOM 0 HE1 TYR A 49 15.551 5.109 -3.972 1.00 51.14 H new ATOM 0 HE2 TYR A 49 16.293 3.852 0.091 1.00 61.43 H new ATOM 0 HH TYR A 49 17.266 2.914 -1.706 1.00 4.43 H new ATOM 773 N SER A 50 10.920 9.706 -1.163 1.00 21.23 N ATOM 774 CA SER A 50 9.846 10.372 -0.440 1.00 12.31 C ATOM 775 C SER A 50 9.586 9.636 0.882 1.00 72.21 C ATOM 776 O SER A 50 9.679 8.402 0.916 1.00 55.23 O ATOM 777 CB SER A 50 8.577 10.421 -1.291 1.00 22.10 C ATOM 778 OG SER A 50 8.795 11.178 -2.461 1.00 2.23 O ATOM 0 H SER A 50 10.678 9.409 -2.108 1.00 21.23 H new ATOM 0 HA SER A 50 10.143 11.398 -0.222 1.00 12.31 H new ATOM 0 HB2 SER A 50 8.271 9.409 -1.557 1.00 22.10 H new ATOM 0 HB3 SER A 50 7.762 10.859 -0.714 1.00 22.10 H new ATOM 0 HG SER A 50 9.152 10.597 -3.165 1.00 2.23 H new ATOM 784 N PRO A 51 9.236 10.354 1.961 1.00 51.44 N ATOM 785 CA PRO A 51 9.146 9.786 3.302 1.00 55.44 C ATOM 786 C PRO A 51 8.004 8.774 3.430 1.00 24.13 C ATOM 787 O PRO A 51 8.062 7.898 4.289 1.00 35.52 O ATOM 788 CB PRO A 51 8.949 10.989 4.232 1.00 0.53 C ATOM 789 CG PRO A 51 8.296 12.039 3.331 1.00 72.30 C ATOM 790 CD PRO A 51 8.968 11.784 1.990 1.00 33.21 C ATOM 0 HA PRO A 51 10.043 9.220 3.555 1.00 55.44 H new ATOM 0 HB2 PRO A 51 8.313 10.739 5.081 1.00 0.53 H new ATOM 0 HB3 PRO A 51 9.897 11.342 4.637 1.00 0.53 H new ATOM 0 HG2 PRO A 51 7.215 11.910 3.275 1.00 72.30 H new ATOM 0 HG3 PRO A 51 8.478 13.052 3.690 1.00 72.30 H new ATOM 0 HD2 PRO A 51 8.322 12.080 1.164 1.00 33.21 H new ATOM 0 HD3 PRO A 51 9.889 12.359 1.896 1.00 33.21 H new ATOM 798 N TYR A 52 6.985 8.874 2.575 1.00 2.12 N ATOM 799 CA TYR A 52 5.757 8.096 2.655 1.00 73.40 C ATOM 800 C TYR A 52 5.910 6.629 2.275 1.00 10.35 C ATOM 801 O TYR A 52 4.927 5.897 2.321 1.00 53.00 O ATOM 802 CB TYR A 52 4.690 8.768 1.776 1.00 11.01 C ATOM 803 CG TYR A 52 4.391 10.208 2.156 1.00 70.33 C ATOM 804 CD1 TYR A 52 4.082 10.544 3.490 1.00 12.22 C ATOM 805 CD2 TYR A 52 4.438 11.215 1.174 1.00 53.25 C ATOM 806 CE1 TYR A 52 3.831 11.878 3.844 1.00 12.44 C ATOM 807 CE2 TYR A 52 4.242 12.560 1.533 1.00 51.51 C ATOM 808 CZ TYR A 52 3.944 12.897 2.874 1.00 32.43 C ATOM 809 OH TYR A 52 3.777 14.187 3.257 1.00 10.32 O ATOM 0 H TYR A 52 6.996 9.519 1.785 1.00 2.12 H new ATOM 0 HA TYR A 52 5.458 8.086 3.703 1.00 73.40 H new ATOM 0 HB2 TYR A 52 5.019 8.738 0.737 1.00 11.01 H new ATOM 0 HB3 TYR A 52 3.768 8.189 1.835 1.00 11.01 H new ATOM 0 HD1 TYR A 52 4.038 9.771 4.243 1.00 12.22 H new ATOM 0 HD2 TYR A 52 4.625 10.954 0.143 1.00 53.25 H new ATOM 0 HE1 TYR A 52 3.552 12.125 4.858 1.00 12.44 H new ATOM 0 HE2 TYR A 52 4.319 13.336 0.785 1.00 51.51 H new ATOM 0 HH TYR A 52 3.885 14.775 2.481 1.00 10.32 H new ATOM 819 N LEU A 53 7.092 6.185 1.864 1.00 44.53 N ATOM 820 CA LEU A 53 7.254 4.995 1.045 1.00 33.20 C ATOM 821 C LEU A 53 8.444 4.218 1.572 1.00 10.33 C ATOM 822 O LEU A 53 9.582 4.638 1.342 1.00 21.43 O ATOM 823 CB LEU A 53 7.435 5.443 -0.411 1.00 11.33 C ATOM 824 CG LEU A 53 6.225 5.143 -1.307 1.00 15.12 C ATOM 825 CD1 LEU A 53 6.227 6.047 -2.540 1.00 30.32 C ATOM 826 CD2 LEU A 53 6.283 3.696 -1.783 1.00 24.23 C ATOM 0 H LEU A 53 7.972 6.647 2.093 1.00 44.53 H new ATOM 0 HA LEU A 53 6.385 4.338 1.087 1.00 33.20 H new ATOM 0 HB2 LEU A 53 7.632 6.515 -0.430 1.00 11.33 H new ATOM 0 HB3 LEU A 53 8.314 4.950 -0.826 1.00 11.33 H new ATOM 0 HG LEU A 53 5.322 5.320 -0.723 1.00 15.12 H new ATOM 0 HD11 LEU A 53 5.361 5.817 -3.161 1.00 30.32 H new ATOM 0 HD12 LEU A 53 6.182 7.090 -2.227 1.00 30.32 H new ATOM 0 HD13 LEU A 53 7.139 5.879 -3.113 1.00 30.32 H new ATOM 0 HD21 LEU A 53 5.422 3.487 -2.419 1.00 24.23 H new ATOM 0 HD22 LEU A 53 7.200 3.536 -2.350 1.00 24.23 H new ATOM 0 HD23 LEU A 53 6.268 3.029 -0.921 1.00 24.23 H new ATOM 838 N LYS A 54 8.208 3.149 2.340 1.00 24.43 N ATOM 839 CA LYS A 54 9.287 2.437 3.029 1.00 60.53 C ATOM 840 C LYS A 54 9.143 0.917 2.929 1.00 64.30 C ATOM 841 O LYS A 54 8.030 0.393 2.825 1.00 44.02 O ATOM 842 CB LYS A 54 9.383 2.889 4.500 1.00 11.24 C ATOM 843 CG LYS A 54 9.862 4.348 4.623 1.00 31.01 C ATOM 844 CD LYS A 54 10.648 4.641 5.905 1.00 74.11 C ATOM 845 CE LYS A 54 9.788 4.582 7.172 1.00 25.15 C ATOM 846 NZ LYS A 54 10.209 3.507 8.092 1.00 43.24 N ATOM 0 H LYS A 54 7.279 2.759 2.499 1.00 24.43 H new ATOM 0 HA LYS A 54 10.217 2.696 2.523 1.00 60.53 H new ATOM 0 HB2 LYS A 54 8.408 2.786 4.976 1.00 11.24 H new ATOM 0 HB3 LYS A 54 10.070 2.235 5.037 1.00 11.24 H new ATOM 0 HG2 LYS A 54 10.487 4.588 3.763 1.00 31.01 H new ATOM 0 HG3 LYS A 54 8.996 5.008 4.581 1.00 31.01 H new ATOM 0 HD2 LYS A 54 11.464 3.923 5.994 1.00 74.11 H new ATOM 0 HD3 LYS A 54 11.100 5.630 5.827 1.00 74.11 H new ATOM 0 HE2 LYS A 54 9.842 5.540 7.689 1.00 25.15 H new ATOM 0 HE3 LYS A 54 8.746 4.429 6.893 1.00 25.15 H new ATOM 0 HZ1 LYS A 54 9.596 3.510 8.932 1.00 43.24 H new ATOM 0 HZ2 LYS A 54 10.133 2.588 7.611 1.00 43.24 H new ATOM 0 HZ3 LYS A 54 11.195 3.665 8.382 1.00 43.24 H new ATOM 860 N PRO A 55 10.263 0.179 2.970 1.00 23.11 N ATOM 861 CA PRO A 55 10.248 -1.270 3.079 1.00 31.05 C ATOM 862 C PRO A 55 9.796 -1.674 4.484 1.00 54.15 C ATOM 863 O PRO A 55 9.757 -0.838 5.388 1.00 11.25 O ATOM 864 CB PRO A 55 11.689 -1.696 2.800 1.00 73.43 C ATOM 865 CG PRO A 55 12.533 -0.513 3.251 1.00 11.52 C ATOM 866 CD PRO A 55 11.629 0.679 2.964 1.00 62.25 C ATOM 0 HA PRO A 55 9.557 -1.748 2.385 1.00 31.05 H new ATOM 0 HB2 PRO A 55 11.948 -2.601 3.350 1.00 73.43 H new ATOM 0 HB3 PRO A 55 11.841 -1.911 1.742 1.00 73.43 H new ATOM 0 HG2 PRO A 55 12.790 -0.580 4.308 1.00 11.52 H new ATOM 0 HG3 PRO A 55 13.470 -0.451 2.698 1.00 11.52 H new ATOM 0 HD2 PRO A 55 11.760 1.455 3.718 1.00 62.25 H new ATOM 0 HD3 PRO A 55 11.873 1.127 2.001 1.00 62.25 H new ATOM 874 N ARG A 56 9.471 -2.951 4.682 1.00 75.04 N ATOM 875 CA ARG A 56 9.257 -3.568 5.995 1.00 4.24 C ATOM 876 C ARG A 56 9.920 -4.952 5.970 1.00 63.35 C ATOM 877 O ARG A 56 10.785 -5.224 5.137 1.00 61.14 O ATOM 878 CB ARG A 56 7.761 -3.576 6.371 1.00 62.53 C ATOM 879 CG ARG A 56 7.305 -2.192 6.865 1.00 34.44 C ATOM 880 CD ARG A 56 5.819 -2.216 7.197 1.00 42.44 C ATOM 881 NE ARG A 56 5.318 -0.876 7.569 1.00 64.12 N ATOM 882 CZ ARG A 56 4.631 -0.552 8.673 1.00 14.43 C ATOM 883 NH1 ARG A 56 4.217 -1.478 9.533 1.00 24.22 N ATOM 884 NH2 ARG A 56 4.333 0.717 8.905 1.00 31.52 N ATOM 0 H ARG A 56 9.345 -3.607 3.911 1.00 75.04 H new ATOM 0 HA ARG A 56 9.724 -2.988 6.791 1.00 4.24 H new ATOM 0 HB2 ARG A 56 7.167 -3.870 5.506 1.00 62.53 H new ATOM 0 HB3 ARG A 56 7.582 -4.320 7.148 1.00 62.53 H new ATOM 0 HG2 ARG A 56 7.878 -1.906 7.747 1.00 34.44 H new ATOM 0 HG3 ARG A 56 7.502 -1.441 6.100 1.00 34.44 H new ATOM 0 HD2 ARG A 56 5.261 -2.587 6.338 1.00 42.44 H new ATOM 0 HD3 ARG A 56 5.641 -2.911 8.017 1.00 42.44 H new ATOM 0 HE ARG A 56 5.516 -0.118 6.916 1.00 64.12 H new ATOM 0 HH11 ARG A 56 4.421 -2.462 9.360 1.00 24.22 H new ATOM 0 HH12 ARG A 56 3.696 -1.204 10.366 1.00 24.22 H new ATOM 0 HH21 ARG A 56 4.626 1.438 8.246 1.00 31.52 H new ATOM 0 HH22 ARG A 56 3.810 0.973 9.743 1.00 31.52 H new ATOM 898 N VAL A 57 9.572 -5.801 6.935 1.00 62.11 N ATOM 899 CA VAL A 57 9.501 -7.248 6.786 1.00 22.14 C ATOM 900 C VAL A 57 8.198 -7.674 7.466 1.00 53.33 C ATOM 901 O VAL A 57 7.896 -7.171 8.552 1.00 2.33 O ATOM 902 CB VAL A 57 10.739 -7.944 7.398 1.00 61.43 C ATOM 903 CG1 VAL A 57 10.598 -9.475 7.436 1.00 20.05 C ATOM 904 CG2 VAL A 57 12.005 -7.625 6.594 1.00 0.31 C ATOM 0 H VAL A 57 9.324 -5.487 7.873 1.00 62.11 H new ATOM 0 HA VAL A 57 9.503 -7.543 5.737 1.00 22.14 H new ATOM 0 HB VAL A 57 10.815 -7.561 8.416 1.00 61.43 H new ATOM 0 HG11 VAL A 57 11.495 -9.912 7.875 1.00 20.05 H new ATOM 0 HG12 VAL A 57 9.731 -9.746 8.038 1.00 20.05 H new ATOM 0 HG13 VAL A 57 10.469 -9.854 6.422 1.00 20.05 H new ATOM 0 HG21 VAL A 57 12.860 -8.127 7.047 1.00 0.31 H new ATOM 0 HG22 VAL A 57 11.882 -7.972 5.568 1.00 0.31 H new ATOM 0 HG23 VAL A 57 12.175 -6.548 6.595 1.00 0.31 H new ATOM 914 N ILE A 58 7.447 -8.592 6.853 1.00 31.31 N ATOM 915 CA ILE A 58 6.224 -9.197 7.386 1.00 54.10 C ATOM 916 C ILE A 58 6.351 -10.689 7.079 1.00 10.15 C ATOM 917 O ILE A 58 6.438 -11.042 5.910 1.00 3.13 O ATOM 918 CB ILE A 58 4.961 -8.580 6.723 1.00 35.13 C ATOM 919 CG1 ILE A 58 4.838 -7.047 6.887 1.00 75.34 C ATOM 920 CG2 ILE A 58 3.677 -9.262 7.213 1.00 54.21 C ATOM 921 CD1 ILE A 58 4.561 -6.559 8.310 1.00 0.14 C ATOM 0 H ILE A 58 7.686 -8.950 5.928 1.00 31.31 H new ATOM 0 HA ILE A 58 6.110 -9.018 8.455 1.00 54.10 H new ATOM 0 HB ILE A 58 5.091 -8.767 5.657 1.00 35.13 H new ATOM 0 HG12 ILE A 58 5.761 -6.586 6.536 1.00 75.34 H new ATOM 0 HG13 ILE A 58 4.038 -6.692 6.237 1.00 75.34 H new ATOM 0 HG21 ILE A 58 2.814 -8.805 6.728 1.00 54.21 H new ATOM 0 HG22 ILE A 58 3.712 -10.323 6.966 1.00 54.21 H new ATOM 0 HG23 ILE A 58 3.591 -9.143 8.293 1.00 54.21 H new ATOM 0 HD11 ILE A 58 4.493 -5.471 8.315 1.00 0.14 H new ATOM 0 HD12 ILE A 58 3.621 -6.983 8.663 1.00 0.14 H new ATOM 0 HD13 ILE A 58 5.371 -6.875 8.967 1.00 0.14 H new ATOM 933 N GLU A 59 6.461 -11.571 8.076 1.00 64.14 N ATOM 934 CA GLU A 59 6.604 -13.035 7.917 1.00 5.42 C ATOM 935 C GLU A 59 7.900 -13.473 7.198 1.00 74.54 C ATOM 936 O GLU A 59 8.185 -14.666 7.077 1.00 45.21 O ATOM 937 CB GLU A 59 5.358 -13.643 7.240 1.00 24.15 C ATOM 938 CG GLU A 59 4.018 -13.270 7.914 1.00 35.43 C ATOM 939 CD GLU A 59 2.779 -13.624 7.082 1.00 12.40 C ATOM 940 OE1 GLU A 59 2.897 -13.741 5.839 1.00 23.25 O ATOM 941 OE2 GLU A 59 1.673 -13.706 7.676 1.00 13.21 O ATOM 0 H GLU A 59 6.454 -11.283 9.054 1.00 64.14 H new ATOM 0 HA GLU A 59 6.687 -13.431 8.929 1.00 5.42 H new ATOM 0 HB2 GLU A 59 5.330 -13.318 6.200 1.00 24.15 H new ATOM 0 HB3 GLU A 59 5.457 -14.728 7.233 1.00 24.15 H new ATOM 0 HG2 GLU A 59 3.954 -13.778 8.876 1.00 35.43 H new ATOM 0 HG3 GLU A 59 4.012 -12.199 8.118 1.00 35.43 H new ATOM 948 N GLY A 60 8.711 -12.517 6.748 1.00 24.42 N ATOM 949 CA GLY A 60 9.885 -12.699 5.904 1.00 1.45 C ATOM 950 C GLY A 60 9.722 -12.088 4.514 1.00 74.11 C ATOM 951 O GLY A 60 10.701 -12.008 3.769 1.00 62.00 O ATOM 0 H GLY A 60 8.554 -11.536 6.978 1.00 24.42 H new ATOM 0 HA2 GLY A 60 10.750 -12.250 6.393 1.00 1.45 H new ATOM 0 HA3 GLY A 60 10.092 -13.764 5.804 1.00 1.45 H new ATOM 955 N VAL A 61 8.530 -11.625 4.133 1.00 45.14 N ATOM 956 CA VAL A 61 8.351 -10.915 2.877 1.00 73.23 C ATOM 957 C VAL A 61 9.048 -9.560 3.004 1.00 72.14 C ATOM 958 O VAL A 61 9.369 -9.107 4.102 1.00 72.42 O ATOM 959 CB VAL A 61 6.861 -10.787 2.523 1.00 62.54 C ATOM 960 CG1 VAL A 61 6.191 -9.572 3.137 1.00 63.31 C ATOM 961 CG2 VAL A 61 6.617 -10.825 1.012 1.00 74.30 C ATOM 0 H VAL A 61 7.676 -11.732 4.681 1.00 45.14 H new ATOM 0 HA VAL A 61 8.800 -11.469 2.053 1.00 73.23 H new ATOM 0 HB VAL A 61 6.394 -11.665 2.969 1.00 62.54 H new ATOM 0 HG11 VAL A 61 5.142 -9.548 2.843 1.00 63.31 H new ATOM 0 HG12 VAL A 61 6.263 -9.627 4.223 1.00 63.31 H new ATOM 0 HG13 VAL A 61 6.687 -8.667 2.786 1.00 63.31 H new ATOM 0 HG21 VAL A 61 5.549 -10.731 0.813 1.00 74.30 H new ATOM 0 HG22 VAL A 61 7.148 -10.000 0.537 1.00 74.30 H new ATOM 0 HG23 VAL A 61 6.979 -11.771 0.609 1.00 74.30 H new ATOM 971 N ARG A 62 9.257 -8.893 1.875 1.00 73.40 N ATOM 972 CA ARG A 62 9.759 -7.531 1.835 1.00 1.25 C ATOM 973 C ARG A 62 8.656 -6.561 2.291 1.00 41.41 C ATOM 974 O ARG A 62 8.781 -5.940 3.338 1.00 2.22 O ATOM 975 CB ARG A 62 10.312 -7.251 0.428 1.00 2.34 C ATOM 976 CG ARG A 62 11.614 -7.988 0.091 1.00 41.55 C ATOM 977 CD ARG A 62 11.411 -9.279 -0.717 1.00 44.11 C ATOM 978 NE ARG A 62 11.112 -10.447 0.129 1.00 22.20 N ATOM 979 CZ ARG A 62 10.674 -11.639 -0.287 1.00 23.44 C ATOM 980 NH1 ARG A 62 10.310 -11.822 -1.554 1.00 11.31 N ATOM 981 NH2 ARG A 62 10.605 -12.648 0.573 1.00 42.23 N ATOM 0 H ARG A 62 9.080 -9.290 0.952 1.00 73.40 H new ATOM 0 HA ARG A 62 10.586 -7.384 2.530 1.00 1.25 H new ATOM 0 HB2 ARG A 62 9.555 -7.526 -0.306 1.00 2.34 H new ATOM 0 HB3 ARG A 62 10.481 -6.179 0.326 1.00 2.34 H new ATOM 0 HG2 ARG A 62 12.263 -7.318 -0.472 1.00 41.55 H new ATOM 0 HG3 ARG A 62 12.133 -8.230 1.019 1.00 41.55 H new ATOM 0 HD2 ARG A 62 10.596 -9.133 -1.426 1.00 44.11 H new ATOM 0 HD3 ARG A 62 12.309 -9.481 -1.301 1.00 44.11 H new ATOM 0 HE ARG A 62 11.253 -10.335 1.133 1.00 22.20 H new ATOM 0 HH11 ARG A 62 10.364 -11.049 -2.217 1.00 11.31 H new ATOM 0 HH12 ARG A 62 9.977 -12.736 -1.862 1.00 11.31 H new ATOM 0 HH21 ARG A 62 10.885 -12.511 1.544 1.00 42.23 H new ATOM 0 HH22 ARG A 62 10.272 -13.561 0.263 1.00 42.23 H new ATOM 995 N CYS A 63 7.526 -6.515 1.578 1.00 73.13 N ATOM 996 CA CYS A 63 6.414 -5.565 1.709 1.00 63.13 C ATOM 997 C CYS A 63 6.851 -4.126 1.378 1.00 5.35 C ATOM 998 O CYS A 63 8.002 -3.741 1.588 1.00 54.42 O ATOM 999 CB CYS A 63 5.781 -5.616 3.106 1.00 15.04 C ATOM 1000 SG CYS A 63 4.474 -6.824 3.349 1.00 12.43 S ATOM 0 H CYS A 63 7.351 -7.193 0.837 1.00 73.13 H new ATOM 0 HA CYS A 63 5.661 -5.870 0.983 1.00 63.13 H new ATOM 0 HB2 CYS A 63 6.570 -5.816 3.831 1.00 15.04 H new ATOM 0 HB3 CYS A 63 5.380 -4.629 3.335 1.00 15.04 H new ATOM 0 HG CYS A 63 3.343 -6.327 2.943 1.00 12.43 H new ATOM 1006 N LEU A 64 5.926 -3.292 0.889 1.00 20.23 N ATOM 1007 CA LEU A 64 6.181 -1.888 0.553 1.00 31.04 C ATOM 1008 C LEU A 64 5.046 -1.034 1.109 1.00 35.04 C ATOM 1009 O LEU A 64 3.902 -1.154 0.672 1.00 63.53 O ATOM 1010 CB LEU A 64 6.334 -1.733 -0.963 1.00 53.13 C ATOM 1011 CG LEU A 64 6.912 -0.394 -1.491 1.00 44.01 C ATOM 1012 CD1 LEU A 64 5.840 0.337 -2.287 1.00 51.31 C ATOM 1013 CD2 LEU A 64 7.564 0.582 -0.489 1.00 62.11 C ATOM 0 H LEU A 64 4.963 -3.579 0.713 1.00 20.23 H new ATOM 0 HA LEU A 64 7.114 -1.550 1.005 1.00 31.04 H new ATOM 0 HB2 LEU A 64 6.974 -2.540 -1.321 1.00 53.13 H new ATOM 0 HB3 LEU A 64 5.354 -1.878 -1.417 1.00 53.13 H new ATOM 0 HG LEU A 64 7.760 -0.717 -2.096 1.00 44.01 H new ATOM 0 HD11 LEU A 64 6.242 1.279 -2.660 1.00 51.31 H new ATOM 0 HD12 LEU A 64 5.526 -0.282 -3.128 1.00 51.31 H new ATOM 0 HD13 LEU A 64 4.983 0.538 -1.644 1.00 51.31 H new ATOM 0 HD21 LEU A 64 7.916 1.467 -1.019 1.00 62.11 H new ATOM 0 HD22 LEU A 64 6.831 0.877 0.262 1.00 62.11 H new ATOM 0 HD23 LEU A 64 8.407 0.093 -0.001 1.00 62.11 H new ATOM 1025 N ALA A 65 5.364 -0.245 2.137 1.00 60.44 N ATOM 1026 CA ALA A 65 4.444 0.637 2.845 1.00 4.32 C ATOM 1027 C ALA A 65 4.251 1.935 2.053 1.00 51.42 C ATOM 1028 O ALA A 65 5.243 2.447 1.536 1.00 51.31 O ATOM 1029 CB ALA A 65 5.025 0.956 4.224 1.00 11.34 C ATOM 0 H ALA A 65 6.312 -0.204 2.512 1.00 60.44 H new ATOM 0 HA ALA A 65 3.478 0.145 2.955 1.00 4.32 H new ATOM 0 HB1 ALA A 65 4.344 1.616 4.762 1.00 11.34 H new ATOM 0 HB2 ALA A 65 5.155 0.032 4.787 1.00 11.34 H new ATOM 0 HB3 ALA A 65 5.990 1.448 4.107 1.00 11.34 H new ATOM 1035 N VAL A 66 3.028 2.473 1.978 1.00 11.23 N ATOM 1036 CA VAL A 66 2.652 3.724 1.335 1.00 53.23 C ATOM 1037 C VAL A 66 1.714 4.474 2.294 1.00 13.05 C ATOM 1038 O VAL A 66 0.574 4.053 2.504 1.00 43.33 O ATOM 1039 CB VAL A 66 2.029 3.476 -0.047 1.00 72.24 C ATOM 1040 CG1 VAL A 66 1.758 4.810 -0.755 1.00 72.25 C ATOM 1041 CG2 VAL A 66 3.004 2.669 -0.910 1.00 60.25 C ATOM 0 H VAL A 66 2.223 2.008 2.397 1.00 11.23 H new ATOM 0 HA VAL A 66 3.530 4.341 1.143 1.00 53.23 H new ATOM 0 HB VAL A 66 1.094 2.932 0.088 1.00 72.24 H new ATOM 0 HG11 VAL A 66 1.317 4.620 -1.733 1.00 72.25 H new ATOM 0 HG12 VAL A 66 1.070 5.406 -0.156 1.00 72.25 H new ATOM 0 HG13 VAL A 66 2.695 5.353 -0.879 1.00 72.25 H new ATOM 0 HG21 VAL A 66 2.562 2.493 -1.891 1.00 60.25 H new ATOM 0 HG22 VAL A 66 3.934 3.226 -1.026 1.00 60.25 H new ATOM 0 HG23 VAL A 66 3.211 1.713 -0.428 1.00 60.25 H new ATOM 1051 N ASP A 67 2.185 5.556 2.914 1.00 12.52 N ATOM 1052 CA ASP A 67 1.370 6.448 3.746 1.00 24.42 C ATOM 1053 C ASP A 67 0.331 7.132 2.861 1.00 4.42 C ATOM 1054 O ASP A 67 0.649 7.635 1.781 1.00 14.22 O ATOM 1055 CB ASP A 67 2.253 7.490 4.442 1.00 62.42 C ATOM 1056 CG ASP A 67 1.519 8.280 5.533 1.00 62.40 C ATOM 1057 OD1 ASP A 67 0.525 8.966 5.218 1.00 40.12 O ATOM 1058 OD2 ASP A 67 1.977 8.274 6.700 1.00 51.51 O ATOM 0 H ASP A 67 3.161 5.844 2.852 1.00 12.52 H new ATOM 0 HA ASP A 67 0.867 5.868 4.519 1.00 24.42 H new ATOM 0 HB2 ASP A 67 3.114 6.989 4.884 1.00 62.42 H new ATOM 0 HB3 ASP A 67 2.637 8.186 3.696 1.00 62.42 H new ATOM 1063 N LEU A 68 -0.925 7.142 3.292 1.00 73.21 N ATOM 1064 CA LEU A 68 -2.054 7.701 2.557 1.00 25.31 C ATOM 1065 C LEU A 68 -1.988 9.232 2.461 1.00 0.11 C ATOM 1066 O LEU A 68 -2.765 9.830 1.721 1.00 72.23 O ATOM 1067 CB LEU A 68 -3.364 7.238 3.220 1.00 33.53 C ATOM 1068 CG LEU A 68 -3.984 5.991 2.554 1.00 40.33 C ATOM 1069 CD1 LEU A 68 -4.967 5.306 3.508 1.00 61.34 C ATOM 1070 CD2 LEU A 68 -4.712 6.349 1.253 1.00 22.24 C ATOM 0 H LEU A 68 -1.195 6.748 4.193 1.00 73.21 H new ATOM 0 HA LEU A 68 -2.014 7.333 1.532 1.00 25.31 H new ATOM 0 HB2 LEU A 68 -3.173 7.022 4.271 1.00 33.53 H new ATOM 0 HB3 LEU A 68 -4.086 8.054 3.188 1.00 33.53 H new ATOM 0 HG LEU A 68 -3.165 5.311 2.318 1.00 40.33 H new ATOM 0 HD11 LEU A 68 -5.394 4.429 3.022 1.00 61.34 H new ATOM 0 HD12 LEU A 68 -4.442 5.000 4.413 1.00 61.34 H new ATOM 0 HD13 LEU A 68 -5.765 6.001 3.769 1.00 61.34 H new ATOM 0 HD21 LEU A 68 -5.135 5.446 0.813 1.00 22.24 H new ATOM 0 HD22 LEU A 68 -5.512 7.058 1.467 1.00 22.24 H new ATOM 0 HD23 LEU A 68 -4.007 6.798 0.553 1.00 22.24 H new ATOM 1082 N LYS A 69 -1.089 9.929 3.162 1.00 31.33 N ATOM 1083 CA LYS A 69 -0.786 11.330 2.835 1.00 23.41 C ATOM 1084 C LYS A 69 -0.267 11.419 1.407 1.00 21.34 C ATOM 1085 O LYS A 69 -0.578 12.381 0.717 1.00 42.34 O ATOM 1086 CB LYS A 69 0.239 11.939 3.797 1.00 61.43 C ATOM 1087 CG LYS A 69 0.048 13.439 4.045 1.00 12.52 C ATOM 1088 CD LYS A 69 0.314 14.370 2.864 1.00 74.52 C ATOM 1089 CE LYS A 69 0.332 15.835 3.285 1.00 41.24 C ATOM 1090 NZ LYS A 69 -1.021 16.414 3.469 1.00 1.12 N ATOM 0 H LYS A 69 -0.562 9.554 3.951 1.00 31.33 H new ATOM 0 HA LYS A 69 -1.709 11.901 2.936 1.00 23.41 H new ATOM 0 HB2 LYS A 69 0.184 11.414 4.751 1.00 61.43 H new ATOM 0 HB3 LYS A 69 1.240 11.772 3.399 1.00 61.43 H new ATOM 0 HG2 LYS A 69 -0.976 13.600 4.381 1.00 12.52 H new ATOM 0 HG3 LYS A 69 0.703 13.734 4.865 1.00 12.52 H new ATOM 0 HD2 LYS A 69 1.269 14.112 2.407 1.00 74.52 H new ATOM 0 HD3 LYS A 69 -0.453 14.220 2.104 1.00 74.52 H new ATOM 0 HE2 LYS A 69 0.889 15.930 4.217 1.00 41.24 H new ATOM 0 HE3 LYS A 69 0.867 16.414 2.533 1.00 41.24 H new ATOM 0 HZ1 LYS A 69 -0.948 17.448 3.553 1.00 1.12 H new ATOM 0 HZ2 LYS A 69 -1.615 16.175 2.650 1.00 1.12 H new ATOM 0 HZ3 LYS A 69 -1.450 16.026 4.333 1.00 1.12 H new ATOM 1104 N LEU A 70 0.454 10.414 0.911 1.00 52.22 N ATOM 1105 CA LEU A 70 0.850 10.416 -0.489 1.00 63.53 C ATOM 1106 C LEU A 70 -0.377 10.538 -1.389 1.00 44.12 C ATOM 1107 O LEU A 70 -0.315 11.279 -2.354 1.00 15.34 O ATOM 1108 CB LEU A 70 1.678 9.185 -0.841 1.00 21.12 C ATOM 1109 CG LEU A 70 2.059 9.127 -2.336 1.00 51.33 C ATOM 1110 CD1 LEU A 70 3.080 10.226 -2.661 1.00 32.11 C ATOM 1111 CD2 LEU A 70 2.660 7.748 -2.603 1.00 50.00 C ATOM 0 H LEU A 70 0.768 9.606 1.448 1.00 52.22 H new ATOM 0 HA LEU A 70 1.486 11.285 -0.658 1.00 63.53 H new ATOM 0 HB2 LEU A 70 2.587 9.180 -0.239 1.00 21.12 H new ATOM 0 HB3 LEU A 70 1.117 8.288 -0.579 1.00 21.12 H new ATOM 0 HG LEU A 70 1.183 9.288 -2.964 1.00 51.33 H new ATOM 0 HD11 LEU A 70 3.343 10.177 -3.718 1.00 32.11 H new ATOM 0 HD12 LEU A 70 2.647 11.202 -2.439 1.00 32.11 H new ATOM 0 HD13 LEU A 70 3.976 10.081 -2.057 1.00 32.11 H new ATOM 0 HD21 LEU A 70 2.942 7.671 -3.653 1.00 50.00 H new ATOM 0 HD22 LEU A 70 3.543 7.609 -1.979 1.00 50.00 H new ATOM 0 HD23 LEU A 70 1.925 6.979 -2.367 1.00 50.00 H new ATOM 1123 N LYS A 71 -1.504 9.899 -1.068 1.00 33.40 N ATOM 1124 CA LYS A 71 -2.730 10.048 -1.853 1.00 5.11 C ATOM 1125 C LYS A 71 -3.215 11.501 -1.854 1.00 44.03 C ATOM 1126 O LYS A 71 -3.701 11.967 -2.872 1.00 23.20 O ATOM 1127 CB LYS A 71 -3.785 9.086 -1.291 1.00 25.34 C ATOM 1128 CG LYS A 71 -5.119 9.013 -2.049 1.00 60.35 C ATOM 1129 CD LYS A 71 -5.195 7.762 -2.926 1.00 35.40 C ATOM 1130 CE LYS A 71 -6.626 7.488 -3.389 1.00 12.11 C ATOM 1131 NZ LYS A 71 -7.092 8.369 -4.476 1.00 12.14 N ATOM 0 H LYS A 71 -1.592 9.272 -0.268 1.00 33.40 H new ATOM 0 HA LYS A 71 -2.538 9.794 -2.895 1.00 5.11 H new ATOM 0 HB2 LYS A 71 -3.354 8.085 -1.263 1.00 25.34 H new ATOM 0 HB3 LYS A 71 -3.994 9.373 -0.260 1.00 25.34 H new ATOM 0 HG2 LYS A 71 -5.944 9.011 -1.337 1.00 60.35 H new ATOM 0 HG3 LYS A 71 -5.236 9.902 -2.669 1.00 60.35 H new ATOM 0 HD2 LYS A 71 -4.548 7.885 -3.794 1.00 35.40 H new ATOM 0 HD3 LYS A 71 -4.821 6.903 -2.369 1.00 35.40 H new ATOM 0 HE2 LYS A 71 -6.696 6.452 -3.722 1.00 12.11 H new ATOM 0 HE3 LYS A 71 -7.298 7.595 -2.537 1.00 12.11 H new ATOM 0 HZ1 LYS A 71 -8.069 8.119 -4.731 1.00 12.14 H new ATOM 0 HZ2 LYS A 71 -7.060 9.359 -4.159 1.00 12.14 H new ATOM 0 HZ3 LYS A 71 -6.477 8.251 -5.306 1.00 12.14 H new ATOM 1145 N ASP A 72 -3.057 12.234 -0.754 1.00 64.45 N ATOM 1146 CA ASP A 72 -3.472 13.634 -0.650 1.00 60.23 C ATOM 1147 C ASP A 72 -2.612 14.563 -1.514 1.00 14.24 C ATOM 1148 O ASP A 72 -3.103 15.594 -1.969 1.00 12.02 O ATOM 1149 CB ASP A 72 -3.368 14.055 0.814 1.00 43.04 C ATOM 1150 CG ASP A 72 -3.925 15.446 1.114 1.00 4.01 C ATOM 1151 OD1 ASP A 72 -5.115 15.716 0.817 1.00 71.34 O ATOM 1152 OD2 ASP A 72 -3.193 16.227 1.766 1.00 54.32 O ATOM 0 H ASP A 72 -2.633 11.870 0.100 1.00 64.45 H new ATOM 0 HA ASP A 72 -4.496 13.718 -1.014 1.00 60.23 H new ATOM 0 HB2 ASP A 72 -3.897 13.326 1.427 1.00 43.04 H new ATOM 0 HB3 ASP A 72 -2.321 14.024 1.114 1.00 43.04 H new ATOM 1157 N THR A 73 -1.344 14.203 -1.736 1.00 41.14 N ATOM 1158 CA THR A 73 -0.345 15.044 -2.425 1.00 12.13 C ATOM 1159 C THR A 73 0.143 14.452 -3.773 1.00 14.33 C ATOM 1160 O THR A 73 0.954 15.072 -4.471 1.00 73.51 O ATOM 1161 CB THR A 73 0.772 15.393 -1.410 1.00 24.40 C ATOM 1162 OG1 THR A 73 1.552 16.516 -1.777 1.00 71.31 O ATOM 1163 CG2 THR A 73 1.721 14.221 -1.150 1.00 21.20 C ATOM 0 H THR A 73 -0.970 13.302 -1.438 1.00 41.14 H new ATOM 0 HA THR A 73 -0.806 15.977 -2.750 1.00 12.13 H new ATOM 0 HB THR A 73 0.222 15.635 -0.500 1.00 24.40 H new ATOM 0 HG1 THR A 73 1.681 16.521 -2.748 1.00 71.31 H new ATOM 0 HG21 THR A 73 2.483 14.522 -0.431 1.00 21.20 H new ATOM 0 HG22 THR A 73 1.157 13.379 -0.749 1.00 21.20 H new ATOM 0 HG23 THR A 73 2.199 13.926 -2.084 1.00 21.20 H new ATOM 1171 N ASN A 74 -0.317 13.256 -4.152 1.00 41.22 N ATOM 1172 CA ASN A 74 -0.240 12.624 -5.470 1.00 70.40 C ATOM 1173 C ASN A 74 -1.144 11.382 -5.493 1.00 53.44 C ATOM 1174 O ASN A 74 -0.660 10.253 -5.354 1.00 42.22 O ATOM 1175 CB ASN A 74 1.183 12.207 -5.890 1.00 10.23 C ATOM 1176 CG ASN A 74 1.161 11.624 -7.304 1.00 61.23 C ATOM 1177 OD1 ASN A 74 0.322 11.980 -8.126 1.00 51.24 O ATOM 1178 ND2 ASN A 74 2.064 10.725 -7.636 1.00 52.31 N ATOM 0 H ASN A 74 -0.795 12.652 -3.483 1.00 41.22 H new ATOM 0 HA ASN A 74 -0.569 13.378 -6.185 1.00 70.40 H new ATOM 0 HB2 ASN A 74 1.849 13.069 -5.853 1.00 10.23 H new ATOM 0 HB3 ASN A 74 1.577 11.470 -5.190 1.00 10.23 H new ATOM 0 HD21 ASN A 74 2.065 10.326 -8.575 1.00 52.31 H new ATOM 0 HD22 ASN A 74 2.762 10.428 -6.954 1.00 52.31 H new ATOM 1185 N PRO A 75 -2.462 11.536 -5.686 1.00 71.11 N ATOM 1186 CA PRO A 75 -3.355 10.389 -5.709 1.00 52.40 C ATOM 1187 C PRO A 75 -3.100 9.485 -6.913 1.00 32.42 C ATOM 1188 O PRO A 75 -3.376 8.289 -6.829 1.00 53.23 O ATOM 1189 CB PRO A 75 -4.773 10.972 -5.738 1.00 31.34 C ATOM 1190 CG PRO A 75 -4.591 12.365 -6.336 1.00 60.22 C ATOM 1191 CD PRO A 75 -3.202 12.776 -5.851 1.00 14.45 C ATOM 0 HA PRO A 75 -3.197 9.754 -4.838 1.00 52.40 H new ATOM 0 HB2 PRO A 75 -5.442 10.362 -6.345 1.00 31.34 H new ATOM 0 HB3 PRO A 75 -5.204 11.021 -4.738 1.00 31.34 H new ATOM 0 HG2 PRO A 75 -4.648 12.346 -7.424 1.00 60.22 H new ATOM 0 HG3 PRO A 75 -5.359 13.056 -5.988 1.00 60.22 H new ATOM 0 HD2 PRO A 75 -2.713 13.431 -6.572 1.00 14.45 H new ATOM 0 HD3 PRO A 75 -3.262 13.325 -4.911 1.00 14.45 H new ATOM 1199 N GLU A 76 -2.563 10.033 -8.004 1.00 30.43 N ATOM 1200 CA GLU A 76 -2.355 9.351 -9.272 1.00 2.43 C ATOM 1201 C GLU A 76 -1.316 8.241 -9.135 1.00 10.54 C ATOM 1202 O GLU A 76 -1.529 7.113 -9.586 1.00 14.22 O ATOM 1203 CB GLU A 76 -1.887 10.401 -10.281 1.00 72.44 C ATOM 1204 CG GLU A 76 -1.764 9.835 -11.694 1.00 2.54 C ATOM 1205 CD GLU A 76 -1.278 10.935 -12.641 1.00 54.42 C ATOM 1206 OE1 GLU A 76 -0.077 11.296 -12.602 1.00 60.14 O ATOM 1207 OE2 GLU A 76 -2.114 11.516 -13.367 1.00 44.32 O ATOM 0 H GLU A 76 -2.250 11.004 -8.024 1.00 30.43 H new ATOM 0 HA GLU A 76 -3.281 8.881 -9.603 1.00 2.43 H new ATOM 0 HB2 GLU A 76 -2.589 11.235 -10.286 1.00 72.44 H new ATOM 0 HB3 GLU A 76 -0.922 10.799 -9.966 1.00 72.44 H new ATOM 0 HG2 GLU A 76 -1.066 8.998 -11.703 1.00 2.54 H new ATOM 0 HG3 GLU A 76 -2.727 9.451 -12.029 1.00 2.54 H new ATOM 1214 N GLY A 77 -0.188 8.565 -8.505 1.00 52.13 N ATOM 1215 CA GLY A 77 0.896 7.617 -8.311 1.00 53.33 C ATOM 1216 C GLY A 77 0.549 6.586 -7.246 1.00 53.34 C ATOM 1217 O GLY A 77 0.892 5.414 -7.385 1.00 23.22 O ATOM 0 H GLY A 77 -0.005 9.491 -8.117 1.00 52.13 H new ATOM 0 HA2 GLY A 77 1.112 7.111 -9.252 1.00 53.33 H new ATOM 0 HA3 GLY A 77 1.801 8.151 -8.021 1.00 53.33 H new ATOM 1221 N PHE A 78 -0.154 6.991 -6.187 1.00 12.40 N ATOM 1222 CA PHE A 78 -0.753 6.057 -5.229 1.00 22.01 C ATOM 1223 C PHE A 78 -1.634 5.041 -5.978 1.00 2.33 C ATOM 1224 O PHE A 78 -1.473 3.837 -5.817 1.00 1.04 O ATOM 1225 CB PHE A 78 -1.530 6.829 -4.150 1.00 74.34 C ATOM 1226 CG PHE A 78 -2.063 5.945 -3.036 1.00 0.12 C ATOM 1227 CD1 PHE A 78 -3.177 5.114 -3.267 1.00 23.02 C ATOM 1228 CD2 PHE A 78 -1.448 5.941 -1.767 1.00 61.54 C ATOM 1229 CE1 PHE A 78 -3.669 4.290 -2.246 1.00 30.43 C ATOM 1230 CE2 PHE A 78 -1.940 5.110 -0.743 1.00 30.51 C ATOM 1231 CZ PHE A 78 -3.055 4.287 -0.985 1.00 64.55 C ATOM 0 H PHE A 78 -0.325 7.973 -5.969 1.00 12.40 H new ATOM 0 HA PHE A 78 0.029 5.497 -4.717 1.00 22.01 H new ATOM 0 HB2 PHE A 78 -0.879 7.589 -3.719 1.00 74.34 H new ATOM 0 HB3 PHE A 78 -2.364 7.352 -4.618 1.00 74.34 H new ATOM 0 HD1 PHE A 78 -3.654 5.112 -4.236 1.00 23.02 H new ATOM 0 HD2 PHE A 78 -0.596 6.578 -1.580 1.00 61.54 H new ATOM 0 HE1 PHE A 78 -4.523 3.656 -2.431 1.00 30.43 H new ATOM 0 HE2 PHE A 78 -1.463 5.104 0.226 1.00 30.51 H new ATOM 0 HZ PHE A 78 -3.438 3.653 -0.199 1.00 64.55 H new ATOM 1241 N ASN A 79 -2.536 5.524 -6.832 1.00 51.10 N ATOM 1242 CA ASN A 79 -3.428 4.738 -7.693 1.00 14.23 C ATOM 1243 C ASN A 79 -2.672 3.695 -8.514 1.00 73.13 C ATOM 1244 O ASN A 79 -3.024 2.515 -8.495 1.00 63.34 O ATOM 1245 CB ASN A 79 -4.200 5.714 -8.592 1.00 41.22 C ATOM 1246 CG ASN A 79 -4.488 5.225 -10.001 1.00 71.31 C ATOM 1247 OD1 ASN A 79 -5.424 4.472 -10.232 1.00 54.00 O ATOM 1248 ND2 ASN A 79 -3.715 5.679 -10.974 1.00 34.44 N ATOM 0 H ASN A 79 -2.674 6.528 -6.950 1.00 51.10 H new ATOM 0 HA ASN A 79 -4.122 4.172 -7.072 1.00 14.23 H new ATOM 0 HB2 ASN A 79 -5.148 5.952 -8.109 1.00 41.22 H new ATOM 0 HB3 ASN A 79 -3.634 6.643 -8.658 1.00 41.22 H new ATOM 0 HD21 ASN A 79 -3.894 5.402 -11.939 1.00 34.44 H new ATOM 0 HD22 ASN A 79 -2.940 6.306 -10.759 1.00 34.44 H new ATOM 1255 N GLN A 80 -1.629 4.137 -9.214 1.00 71.44 N ATOM 1256 CA GLN A 80 -0.720 3.275 -9.966 1.00 15.05 C ATOM 1257 C GLN A 80 -0.138 2.177 -9.069 1.00 24.02 C ATOM 1258 O GLN A 80 -0.091 1.010 -9.467 1.00 64.13 O ATOM 1259 CB GLN A 80 0.405 4.118 -10.576 1.00 44.25 C ATOM 1260 CG GLN A 80 0.014 4.877 -11.854 1.00 4.00 C ATOM 1261 CD GLN A 80 1.196 5.692 -12.383 1.00 2.15 C ATOM 1262 OE1 GLN A 80 2.340 5.246 -12.362 1.00 32.13 O ATOM 1263 NE2 GLN A 80 0.972 6.913 -12.837 1.00 41.41 N ATOM 0 H GLN A 80 -1.387 5.126 -9.275 1.00 71.44 H new ATOM 0 HA GLN A 80 -1.281 2.792 -10.766 1.00 15.05 H new ATOM 0 HB2 GLN A 80 0.747 4.837 -9.832 1.00 44.25 H new ATOM 0 HB3 GLN A 80 1.249 3.466 -10.800 1.00 44.25 H new ATOM 0 HG2 GLN A 80 -0.317 4.171 -12.615 1.00 4.00 H new ATOM 0 HG3 GLN A 80 -0.827 5.539 -11.647 1.00 4.00 H new ATOM 0 HE21 GLN A 80 0.022 7.284 -12.855 1.00 41.41 H new ATOM 0 HE22 GLN A 80 1.749 7.484 -13.170 1.00 41.41 H new ATOM 1272 N LEU A 81 0.272 2.532 -7.850 1.00 50.23 N ATOM 1273 CA LEU A 81 0.841 1.600 -6.887 1.00 61.31 C ATOM 1274 C LEU A 81 -0.145 0.489 -6.536 1.00 23.03 C ATOM 1275 O LEU A 81 0.244 -0.675 -6.442 1.00 51.31 O ATOM 1276 CB LEU A 81 1.254 2.346 -5.606 1.00 34.00 C ATOM 1277 CG LEU A 81 2.611 1.860 -5.070 1.00 64.14 C ATOM 1278 CD1 LEU A 81 3.601 3.004 -4.857 1.00 4.14 C ATOM 1279 CD2 LEU A 81 2.416 1.061 -3.783 1.00 5.34 C ATOM 0 H LEU A 81 0.215 3.490 -7.503 1.00 50.23 H new ATOM 0 HA LEU A 81 1.720 1.146 -7.345 1.00 61.31 H new ATOM 0 HB2 LEU A 81 1.306 3.415 -5.810 1.00 34.00 H new ATOM 0 HB3 LEU A 81 0.490 2.204 -4.841 1.00 34.00 H new ATOM 0 HG LEU A 81 3.045 1.210 -5.830 1.00 64.14 H new ATOM 0 HD11 LEU A 81 4.542 2.605 -4.478 1.00 4.14 H new ATOM 0 HD12 LEU A 81 3.778 3.513 -5.804 1.00 4.14 H new ATOM 0 HD13 LEU A 81 3.190 3.711 -4.136 1.00 4.14 H new ATOM 0 HD21 LEU A 81 3.384 0.723 -3.414 1.00 5.34 H new ATOM 0 HD22 LEU A 81 1.942 1.692 -3.031 1.00 5.34 H new ATOM 0 HD23 LEU A 81 1.782 0.197 -3.984 1.00 5.34 H new ATOM 1291 N MET A 82 -1.419 0.838 -6.357 1.00 54.13 N ATOM 1292 CA MET A 82 -2.476 -0.120 -6.052 1.00 24.20 C ATOM 1293 C MET A 82 -2.676 -1.100 -7.216 1.00 14.25 C ATOM 1294 O MET A 82 -2.898 -2.289 -6.993 1.00 21.14 O ATOM 1295 CB MET A 82 -3.799 0.596 -5.727 1.00 5.02 C ATOM 1296 CG MET A 82 -3.734 1.546 -4.525 1.00 44.12 C ATOM 1297 SD MET A 82 -3.097 0.852 -2.976 1.00 61.11 S ATOM 1298 CE MET A 82 -4.420 -0.309 -2.554 1.00 74.14 C ATOM 0 H MET A 82 -1.747 1.802 -6.421 1.00 54.13 H new ATOM 0 HA MET A 82 -2.167 -0.683 -5.171 1.00 24.20 H new ATOM 0 HB2 MET A 82 -4.115 1.162 -6.603 1.00 5.02 H new ATOM 0 HB3 MET A 82 -4.566 -0.155 -5.538 1.00 5.02 H new ATOM 0 HG2 MET A 82 -3.112 2.399 -4.798 1.00 44.12 H new ATOM 0 HG3 MET A 82 -4.737 1.930 -4.339 1.00 44.12 H new ATOM 0 HE1 MET A 82 -4.192 -0.791 -1.603 1.00 74.14 H new ATOM 0 HE2 MET A 82 -5.364 0.230 -2.471 1.00 74.14 H new ATOM 0 HE3 MET A 82 -4.502 -1.066 -3.334 1.00 74.14 H new ATOM 1308 N HIS A 83 -2.596 -0.636 -8.466 1.00 52.22 N ATOM 1309 CA HIS A 83 -2.805 -1.471 -9.641 1.00 1.25 C ATOM 1310 C HIS A 83 -1.752 -2.577 -9.733 1.00 13.55 C ATOM 1311 O HIS A 83 -2.108 -3.722 -9.987 1.00 65.53 O ATOM 1312 CB HIS A 83 -2.802 -0.591 -10.893 1.00 3.25 C ATOM 1313 CG HIS A 83 -3.156 -1.299 -12.181 1.00 31.25 C ATOM 1314 ND1 HIS A 83 -2.973 -0.800 -13.451 1.00 32.51 N ATOM 1315 CD2 HIS A 83 -3.707 -2.545 -12.307 1.00 21.34 C ATOM 1316 CE1 HIS A 83 -3.405 -1.730 -14.321 1.00 20.44 C ATOM 1317 NE2 HIS A 83 -3.838 -2.824 -13.670 1.00 10.41 N ATOM 0 H HIS A 83 -2.383 0.337 -8.687 1.00 52.22 H new ATOM 0 HA HIS A 83 -3.773 -1.965 -9.558 1.00 1.25 H new ATOM 0 HB2 HIS A 83 -3.505 0.228 -10.743 1.00 3.25 H new ATOM 0 HB3 HIS A 83 -1.813 -0.146 -11.002 1.00 3.25 H new ATOM 0 HD2 HIS A 83 -3.991 -3.198 -11.495 1.00 21.34 H new ATOM 0 HE1 HIS A 83 -3.404 -1.614 -15.395 1.00 20.44 H new ATOM 0 HE2 HIS A 83 -4.191 -3.685 -14.087 1.00 10.41 H new ATOM 1325 N PHE A 84 -0.482 -2.261 -9.464 1.00 34.34 N ATOM 1326 CA PHE A 84 0.599 -3.252 -9.361 1.00 4.15 C ATOM 1327 C PHE A 84 0.210 -4.400 -8.422 1.00 22.11 C ATOM 1328 O PHE A 84 0.492 -5.569 -8.715 1.00 12.53 O ATOM 1329 CB PHE A 84 1.874 -2.543 -8.887 1.00 53.31 C ATOM 1330 CG PHE A 84 3.090 -3.412 -8.614 1.00 72.35 C ATOM 1331 CD1 PHE A 84 3.190 -4.132 -7.408 1.00 71.31 C ATOM 1332 CD2 PHE A 84 4.183 -3.406 -9.501 1.00 62.41 C ATOM 1333 CE1 PHE A 84 4.369 -4.818 -7.077 1.00 2.43 C ATOM 1334 CE2 PHE A 84 5.372 -4.082 -9.167 1.00 72.25 C ATOM 1335 CZ PHE A 84 5.467 -4.775 -7.949 1.00 70.04 C ATOM 0 H PHE A 84 -0.170 -1.302 -9.310 1.00 34.34 H new ATOM 0 HA PHE A 84 0.780 -3.697 -10.339 1.00 4.15 H new ATOM 0 HB2 PHE A 84 2.149 -1.804 -9.639 1.00 53.31 H new ATOM 0 HB3 PHE A 84 1.637 -1.996 -7.974 1.00 53.31 H new ATOM 0 HD1 PHE A 84 2.350 -4.157 -6.730 1.00 71.31 H new ATOM 0 HD2 PHE A 84 4.109 -2.881 -10.442 1.00 62.41 H new ATOM 0 HE1 PHE A 84 4.431 -5.377 -6.155 1.00 2.43 H new ATOM 0 HE2 PHE A 84 6.211 -4.068 -9.847 1.00 72.25 H new ATOM 0 HZ PHE A 84 6.387 -5.275 -7.683 1.00 70.04 H new ATOM 1345 N ALA A 85 -0.459 -4.082 -7.307 1.00 5.54 N ATOM 1346 CA ALA A 85 -0.930 -5.087 -6.374 1.00 64.45 C ATOM 1347 C ALA A 85 -1.951 -6.013 -7.013 1.00 12.53 C ATOM 1348 O ALA A 85 -1.865 -7.226 -6.817 1.00 74.23 O ATOM 1349 CB ALA A 85 -1.463 -4.458 -5.088 1.00 73.13 C ATOM 0 H ALA A 85 -0.683 -3.124 -7.036 1.00 5.54 H new ATOM 0 HA ALA A 85 -0.071 -5.699 -6.100 1.00 64.45 H new ATOM 0 HB1 ALA A 85 -1.807 -5.243 -4.414 1.00 73.13 H new ATOM 0 HB2 ALA A 85 -0.669 -3.888 -4.606 1.00 73.13 H new ATOM 0 HB3 ALA A 85 -2.294 -3.794 -5.325 1.00 73.13 H new ATOM 1355 N THR A 86 -2.924 -5.474 -7.745 1.00 71.13 N ATOM 1356 CA THR A 86 -3.871 -6.317 -8.467 1.00 72.40 C ATOM 1357 C THR A 86 -3.149 -7.164 -9.521 1.00 23.40 C ATOM 1358 O THR A 86 -3.391 -8.367 -9.598 1.00 42.23 O ATOM 1359 CB THR A 86 -4.971 -5.459 -9.127 1.00 45.14 C ATOM 1360 OG1 THR A 86 -5.294 -4.300 -8.381 1.00 75.14 O ATOM 1361 CG2 THR A 86 -6.282 -6.217 -9.318 1.00 32.23 C ATOM 0 H THR A 86 -3.076 -4.471 -7.853 1.00 71.13 H new ATOM 0 HA THR A 86 -4.342 -6.989 -7.750 1.00 72.40 H new ATOM 0 HB THR A 86 -4.537 -5.188 -10.089 1.00 45.14 H new ATOM 0 HG1 THR A 86 -5.993 -3.796 -8.847 1.00 75.14 H new ATOM 0 HG21 THR A 86 -7.016 -5.562 -9.786 1.00 32.23 H new ATOM 0 HG22 THR A 86 -6.111 -7.084 -9.955 1.00 32.23 H new ATOM 0 HG23 THR A 86 -6.656 -6.547 -8.349 1.00 32.23 H new ATOM 1369 N GLU A 87 -2.230 -6.544 -10.275 1.00 24.11 N ATOM 1370 CA GLU A 87 -1.526 -7.166 -11.392 1.00 61.02 C ATOM 1371 C GLU A 87 -0.774 -8.417 -10.959 1.00 62.32 C ATOM 1372 O GLU A 87 -0.983 -9.497 -11.532 1.00 24.42 O ATOM 1373 CB GLU A 87 -0.527 -6.168 -12.024 1.00 61.34 C ATOM 1374 CG GLU A 87 -0.846 -5.730 -13.457 1.00 73.54 C ATOM 1375 CD GLU A 87 -1.054 -6.915 -14.406 1.00 53.23 C ATOM 1376 OE1 GLU A 87 -0.042 -7.479 -14.904 1.00 12.25 O ATOM 1377 OE2 GLU A 87 -2.237 -7.247 -14.643 1.00 31.41 O ATOM 0 H GLU A 87 -1.954 -5.575 -10.117 1.00 24.11 H new ATOM 0 HA GLU A 87 -2.279 -7.452 -12.126 1.00 61.02 H new ATOM 0 HB2 GLU A 87 -0.480 -5.280 -11.394 1.00 61.34 H new ATOM 0 HB3 GLU A 87 0.465 -6.619 -12.013 1.00 61.34 H new ATOM 0 HG2 GLU A 87 -1.744 -5.112 -13.452 1.00 73.54 H new ATOM 0 HG3 GLU A 87 -0.033 -5.108 -13.832 1.00 73.54 H new ATOM 1384 N ASN A 88 0.124 -8.288 -9.963 1.00 13.00 N ATOM 1385 CA ASN A 88 0.949 -9.421 -9.611 1.00 0.30 C ATOM 1386 C ASN A 88 0.260 -10.221 -8.511 1.00 1.11 C ATOM 1387 O ASN A 88 0.727 -11.306 -8.177 1.00 2.25 O ATOM 1388 CB ASN A 88 2.351 -8.887 -9.331 1.00 53.30 C ATOM 1389 CG ASN A 88 3.006 -8.584 -10.674 1.00 61.32 C ATOM 1390 OD1 ASN A 88 3.429 -9.483 -11.399 1.00 1.41 O ATOM 1391 ND2 ASN A 88 3.072 -7.320 -11.046 1.00 45.43 N ATOM 0 H ASN A 88 0.281 -7.441 -9.417 1.00 13.00 H new ATOM 0 HA ASN A 88 1.074 -10.155 -10.407 1.00 0.30 H new ATOM 0 HB2 ASN A 88 2.303 -7.988 -8.717 1.00 53.30 H new ATOM 0 HB3 ASN A 88 2.936 -9.620 -8.776 1.00 53.30 H new ATOM 0 HD21 ASN A 88 3.479 -7.075 -11.948 1.00 45.43 H new ATOM 0 HD22 ASN A 88 2.716 -6.588 -10.431 1.00 45.43 H new ATOM 1398 N GLN A 89 -0.901 -9.736 -8.051 1.00 23.32 N ATOM 1399 CA GLN A 89 -1.928 -10.368 -7.230 1.00 71.03 C ATOM 1400 C GLN A 89 -1.455 -10.448 -5.798 1.00 5.21 C ATOM 1401 O GLN A 89 -1.745 -11.422 -5.098 1.00 62.42 O ATOM 1402 CB GLN A 89 -2.354 -11.726 -7.795 1.00 34.32 C ATOM 1403 CG GLN A 89 -3.005 -11.590 -9.177 1.00 73.12 C ATOM 1404 CD GLN A 89 -2.585 -12.710 -10.106 1.00 23.41 C ATOM 1405 OE1 GLN A 89 -2.801 -13.888 -9.811 1.00 22.23 O ATOM 1406 NE2 GLN A 89 -1.960 -12.362 -11.217 1.00 40.01 N ATOM 0 H GLN A 89 -1.168 -8.778 -8.275 1.00 23.32 H new ATOM 0 HA GLN A 89 -2.827 -9.752 -7.250 1.00 71.03 H new ATOM 0 HB2 GLN A 89 -1.484 -12.379 -7.866 1.00 34.32 H new ATOM 0 HB3 GLN A 89 -3.055 -12.202 -7.109 1.00 34.32 H new ATOM 0 HG2 GLN A 89 -4.090 -11.593 -9.070 1.00 73.12 H new ATOM 0 HG3 GLN A 89 -2.731 -10.631 -9.616 1.00 73.12 H new ATOM 0 HE21 GLN A 89 -1.801 -11.376 -11.425 1.00 40.01 H new ATOM 0 HE22 GLN A 89 -1.637 -13.079 -11.867 1.00 40.01 H new ATOM 1415 N LEU A 90 -0.659 -9.463 -5.384 1.00 73.41 N ATOM 1416 CA LEU A 90 -0.116 -9.420 -4.073 1.00 73.53 C ATOM 1417 C LEU A 90 -1.205 -9.184 -3.049 1.00 21.20 C ATOM 1418 O LEU A 90 -2.189 -8.490 -3.303 1.00 4.12 O ATOM 1419 CB LEU A 90 0.939 -8.341 -4.041 1.00 32.25 C ATOM 1420 CG LEU A 90 1.950 -8.440 -5.195 1.00 22.25 C ATOM 1421 CD1 LEU A 90 2.419 -9.833 -5.615 1.00 45.14 C ATOM 1422 CD2 LEU A 90 1.794 -7.422 -6.286 1.00 20.44 C ATOM 0 H LEU A 90 -0.385 -8.676 -5.972 1.00 73.41 H new ATOM 0 HA LEU A 90 0.342 -10.375 -3.817 1.00 73.53 H new ATOM 0 HB2 LEU A 90 0.452 -7.366 -4.077 1.00 32.25 H new ATOM 0 HB3 LEU A 90 1.475 -8.395 -3.093 1.00 32.25 H new ATOM 0 HG LEU A 90 2.858 -8.104 -4.693 1.00 22.25 H new ATOM 0 HD11 LEU A 90 3.128 -9.745 -6.438 1.00 45.14 H new ATOM 0 HD12 LEU A 90 2.902 -10.324 -4.770 1.00 45.14 H new ATOM 0 HD13 LEU A 90 1.561 -10.424 -5.936 1.00 45.14 H new ATOM 0 HD21 LEU A 90 2.558 -7.584 -7.047 1.00 20.44 H new ATOM 0 HD22 LEU A 90 0.806 -7.520 -6.736 1.00 20.44 H new ATOM 0 HD23 LEU A 90 1.905 -6.421 -5.868 1.00 20.44 H new ATOM 1434 N ASN A 91 -1.020 -9.792 -1.887 1.00 45.03 N ATOM 1435 CA ASN A 91 -1.909 -9.615 -0.756 1.00 13.00 C ATOM 1436 C ASN A 91 -1.858 -8.143 -0.346 1.00 32.00 C ATOM 1437 O ASN A 91 -0.790 -7.654 0.026 1.00 22.51 O ATOM 1438 CB ASN A 91 -1.464 -10.541 0.386 1.00 51.14 C ATOM 1439 CG ASN A 91 -2.579 -10.917 1.341 1.00 31.45 C ATOM 1440 OD1 ASN A 91 -3.628 -10.283 1.378 1.00 4.54 O ATOM 1441 ND2 ASN A 91 -2.377 -11.988 2.088 1.00 52.41 N ATOM 0 H ASN A 91 -0.242 -10.426 -1.704 1.00 45.03 H new ATOM 0 HA ASN A 91 -2.936 -9.876 -1.010 1.00 13.00 H new ATOM 0 HB2 ASN A 91 -1.042 -11.451 -0.041 1.00 51.14 H new ATOM 0 HB3 ASN A 91 -0.667 -10.053 0.947 1.00 51.14 H new ATOM 0 HD21 ASN A 91 -3.107 -12.313 2.722 1.00 52.41 H new ATOM 0 HD22 ASN A 91 -1.491 -12.490 2.030 1.00 52.41 H new ATOM 1448 N ILE A 92 -2.940 -7.386 -0.499 1.00 43.23 N ATOM 1449 CA ILE A 92 -3.001 -6.038 0.050 1.00 22.32 C ATOM 1450 C ILE A 92 -3.262 -6.257 1.535 1.00 54.02 C ATOM 1451 O ILE A 92 -4.341 -6.713 1.902 1.00 31.03 O ATOM 1452 CB ILE A 92 -4.088 -5.182 -0.634 1.00 64.44 C ATOM 1453 CG1 ILE A 92 -3.890 -5.195 -2.169 1.00 71.04 C ATOM 1454 CG2 ILE A 92 -4.022 -3.739 -0.096 1.00 23.43 C ATOM 1455 CD1 ILE A 92 -4.953 -4.421 -2.953 1.00 2.23 C ATOM 0 H ILE A 92 -3.781 -7.681 -0.995 1.00 43.23 H new ATOM 0 HA ILE A 92 -2.085 -5.473 -0.120 1.00 22.32 H new ATOM 0 HB ILE A 92 -5.069 -5.600 -0.410 1.00 64.44 H new ATOM 0 HG12 ILE A 92 -2.910 -4.777 -2.400 1.00 71.04 H new ATOM 0 HG13 ILE A 92 -3.884 -6.229 -2.513 1.00 71.04 H new ATOM 0 HG21 ILE A 92 -4.790 -3.135 -0.579 1.00 23.43 H new ATOM 0 HG22 ILE A 92 -4.189 -3.744 0.981 1.00 23.43 H new ATOM 0 HG23 ILE A 92 -3.040 -3.316 -0.309 1.00 23.43 H new ATOM 0 HD11 ILE A 92 -4.736 -4.483 -4.019 1.00 2.23 H new ATOM 0 HD12 ILE A 92 -5.935 -4.851 -2.757 1.00 2.23 H new ATOM 0 HD13 ILE A 92 -4.946 -3.376 -2.642 1.00 2.23 H new ATOM 1467 N LEU A 93 -2.271 -6.041 2.392 1.00 2.32 N ATOM 1468 CA LEU A 93 -2.526 -5.990 3.817 1.00 24.32 C ATOM 1469 C LEU A 93 -3.138 -4.642 4.160 1.00 65.00 C ATOM 1470 O LEU A 93 -3.195 -3.725 3.340 1.00 23.11 O ATOM 1471 CB LEU A 93 -1.230 -6.207 4.610 1.00 52.43 C ATOM 1472 CG LEU A 93 -0.568 -7.564 4.384 1.00 70.43 C ATOM 1473 CD1 LEU A 93 0.597 -7.788 5.355 1.00 35.23 C ATOM 1474 CD2 LEU A 93 -1.518 -8.767 4.371 1.00 11.41 C ATOM 0 H LEU A 93 -1.297 -5.901 2.125 1.00 2.32 H new ATOM 0 HA LEU A 93 -3.219 -6.787 4.088 1.00 24.32 H new ATOM 0 HB2 LEU A 93 -0.521 -5.423 4.345 1.00 52.43 H new ATOM 0 HB3 LEU A 93 -1.446 -6.095 5.672 1.00 52.43 H new ATOM 0 HG LEU A 93 -0.182 -7.509 3.366 1.00 70.43 H new ATOM 0 HD11 LEU A 93 1.045 -8.763 5.166 1.00 35.23 H new ATOM 0 HD12 LEU A 93 1.346 -7.010 5.210 1.00 35.23 H new ATOM 0 HD13 LEU A 93 0.229 -7.750 6.380 1.00 35.23 H new ATOM 0 HD21 LEU A 93 -0.947 -9.680 4.204 1.00 11.41 H new ATOM 0 HD22 LEU A 93 -2.035 -8.833 5.328 1.00 11.41 H new ATOM 0 HD23 LEU A 93 -2.249 -8.645 3.572 1.00 11.41 H new ATOM 1486 N ASP A 94 -3.451 -4.480 5.433 1.00 61.10 N ATOM 1487 CA ASP A 94 -3.684 -3.221 6.128 1.00 61.42 C ATOM 1488 C ASP A 94 -2.488 -2.905 7.021 1.00 1.31 C ATOM 1489 O ASP A 94 -1.460 -3.600 6.991 1.00 75.52 O ATOM 1490 CB ASP A 94 -5.034 -3.151 6.855 1.00 32.13 C ATOM 1491 CG ASP A 94 -5.134 -3.801 8.233 1.00 1.24 C ATOM 1492 OD1 ASP A 94 -4.135 -4.359 8.730 1.00 34.54 O ATOM 1493 OD2 ASP A 94 -6.214 -3.687 8.862 1.00 13.24 O ATOM 0 H ASP A 94 -3.557 -5.281 6.055 1.00 61.10 H new ATOM 0 HA ASP A 94 -3.767 -2.434 5.379 1.00 61.42 H new ATOM 0 HB2 ASP A 94 -5.304 -2.100 6.960 1.00 32.13 H new ATOM 0 HB3 ASP A 94 -5.785 -3.611 6.212 1.00 32.13 H new ATOM 1498 N ALA A 95 -2.578 -1.772 7.709 1.00 15.32 N ATOM 1499 CA ALA A 95 -1.454 -1.228 8.464 1.00 22.03 C ATOM 1500 C ALA A 95 -1.056 -2.153 9.623 1.00 53.51 C ATOM 1501 O ALA A 95 0.123 -2.220 9.986 1.00 60.11 O ATOM 1502 CB ALA A 95 -1.786 0.179 8.966 1.00 31.41 C ATOM 0 H ALA A 95 -3.426 -1.208 7.759 1.00 15.32 H new ATOM 0 HA ALA A 95 -0.595 -1.162 7.797 1.00 22.03 H new ATOM 0 HB1 ALA A 95 -0.940 0.574 9.528 1.00 31.41 H new ATOM 0 HB2 ALA A 95 -1.993 0.829 8.116 1.00 31.41 H new ATOM 0 HB3 ALA A 95 -2.663 0.137 9.612 1.00 31.41 H new ATOM 1508 N GLU A 96 -2.023 -2.866 10.204 1.00 74.13 N ATOM 1509 CA GLU A 96 -1.779 -3.878 11.224 1.00 10.15 C ATOM 1510 C GLU A 96 -1.149 -5.120 10.585 1.00 2.40 C ATOM 1511 O GLU A 96 -0.229 -5.710 11.147 1.00 31.24 O ATOM 1512 CB GLU A 96 -3.079 -4.238 11.946 1.00 20.22 C ATOM 1513 CG GLU A 96 -3.701 -3.027 12.643 1.00 42.41 C ATOM 1514 CD GLU A 96 -2.808 -2.298 13.645 1.00 22.00 C ATOM 1515 OE1 GLU A 96 -2.252 -2.967 14.536 1.00 13.31 O ATOM 1516 OE2 GLU A 96 -2.715 -1.046 13.552 1.00 60.43 O ATOM 0 H GLU A 96 -3.010 -2.752 9.973 1.00 74.13 H new ATOM 0 HA GLU A 96 -1.085 -3.476 11.962 1.00 10.15 H new ATOM 0 HB2 GLU A 96 -3.790 -4.649 11.229 1.00 20.22 H new ATOM 0 HB3 GLU A 96 -2.881 -5.018 12.681 1.00 20.22 H new ATOM 0 HG2 GLU A 96 -4.013 -2.314 11.880 1.00 42.41 H new ATOM 0 HG3 GLU A 96 -4.602 -3.355 13.161 1.00 42.41 H new ATOM 1523 N GLY A 97 -1.623 -5.469 9.391 1.00 1.31 N ATOM 1524 CA GLY A 97 -1.199 -6.586 8.565 1.00 71.24 C ATOM 1525 C GLY A 97 -2.343 -7.546 8.271 1.00 4.33 C ATOM 1526 O GLY A 97 -2.088 -8.645 7.791 1.00 72.34 O ATOM 0 H GLY A 97 -2.370 -4.935 8.947 1.00 1.31 H new ATOM 0 HA2 GLY A 97 -0.792 -6.209 7.627 1.00 71.24 H new ATOM 0 HA3 GLY A 97 -0.395 -7.124 9.068 1.00 71.24 H new ATOM 1530 N ASN A 98 -3.589 -7.149 8.530 1.00 0.40 N ATOM 1531 CA ASN A 98 -4.766 -7.918 8.141 1.00 41.01 C ATOM 1532 C ASN A 98 -4.905 -7.854 6.618 1.00 11.23 C ATOM 1533 O ASN A 98 -4.714 -6.784 6.054 1.00 53.24 O ATOM 1534 CB ASN A 98 -6.032 -7.339 8.783 1.00 43.23 C ATOM 1535 CG ASN A 98 -5.896 -7.056 10.270 1.00 54.25 C ATOM 1536 OD1 ASN A 98 -5.595 -7.945 11.060 1.00 15.23 O ATOM 1537 ND2 ASN A 98 -6.096 -5.826 10.695 1.00 15.04 N ATOM 0 H ASN A 98 -3.809 -6.281 9.018 1.00 0.40 H new ATOM 0 HA ASN A 98 -4.647 -8.948 8.478 1.00 41.01 H new ATOM 0 HB2 ASN A 98 -6.297 -6.414 8.270 1.00 43.23 H new ATOM 0 HB3 ASN A 98 -6.856 -8.036 8.630 1.00 43.23 H new ATOM 0 HD21 ASN A 98 -6.001 -5.607 11.687 1.00 15.04 H new ATOM 0 HD22 ASN A 98 -6.346 -5.092 10.033 1.00 15.04 H new ATOM 1544 N SER A 99 -5.228 -8.944 5.929 1.00 63.25 N ATOM 1545 CA SER A 99 -5.417 -8.933 4.473 1.00 70.52 C ATOM 1546 C SER A 99 -6.743 -8.271 4.102 1.00 32.25 C ATOM 1547 O SER A 99 -7.789 -8.705 4.595 1.00 13.40 O ATOM 1548 CB SER A 99 -5.387 -10.370 3.964 1.00 30.21 C ATOM 1549 OG SER A 99 -6.194 -11.195 4.798 1.00 61.32 O ATOM 0 H SER A 99 -5.367 -9.859 6.357 1.00 63.25 H new ATOM 0 HA SER A 99 -4.615 -8.357 4.011 1.00 70.52 H new ATOM 0 HB2 SER A 99 -5.751 -10.409 2.937 1.00 30.21 H new ATOM 0 HB3 SER A 99 -4.362 -10.740 3.953 1.00 30.21 H new ATOM 0 HG SER A 99 -7.029 -10.728 5.010 1.00 61.32 H new ATOM 1555 N ILE A 100 -6.732 -7.285 3.209 1.00 44.35 N ATOM 1556 CA ILE A 100 -7.896 -6.505 2.814 1.00 63.11 C ATOM 1557 C ILE A 100 -8.033 -6.426 1.291 1.00 30.31 C ATOM 1558 O ILE A 100 -7.132 -6.795 0.536 1.00 64.01 O ATOM 1559 CB ILE A 100 -7.846 -5.099 3.462 1.00 54.02 C ATOM 1560 CG1 ILE A 100 -6.554 -4.327 3.112 1.00 30.13 C ATOM 1561 CG2 ILE A 100 -7.997 -5.221 4.988 1.00 5.01 C ATOM 1562 CD1 ILE A 100 -6.661 -2.812 3.312 1.00 63.53 C ATOM 0 H ILE A 100 -5.881 -6.999 2.725 1.00 44.35 H new ATOM 0 HA ILE A 100 -8.788 -7.014 3.180 1.00 63.11 H new ATOM 0 HB ILE A 100 -8.677 -4.525 3.053 1.00 54.02 H new ATOM 0 HG12 ILE A 100 -5.738 -4.708 3.726 1.00 30.13 H new ATOM 0 HG13 ILE A 100 -6.292 -4.529 2.073 1.00 30.13 H new ATOM 0 HG21 ILE A 100 -7.961 -4.229 5.438 1.00 5.01 H new ATOM 0 HG22 ILE A 100 -8.952 -5.691 5.223 1.00 5.01 H new ATOM 0 HG23 ILE A 100 -7.185 -5.830 5.386 1.00 5.01 H new ATOM 0 HD11 ILE A 100 -5.714 -2.342 3.045 1.00 63.53 H new ATOM 0 HD12 ILE A 100 -7.454 -2.416 2.678 1.00 63.53 H new ATOM 0 HD13 ILE A 100 -6.891 -2.598 4.356 1.00 63.53 H new ATOM 1574 N ASP A 101 -9.189 -5.943 0.844 1.00 53.44 N ATOM 1575 CA ASP A 101 -9.421 -5.539 -0.538 1.00 62.20 C ATOM 1576 C ASP A 101 -8.977 -4.098 -0.750 1.00 21.21 C ATOM 1577 O ASP A 101 -8.828 -3.324 0.195 1.00 24.23 O ATOM 1578 CB ASP A 101 -10.908 -5.654 -0.898 1.00 30.21 C ATOM 1579 CG ASP A 101 -11.158 -6.873 -1.774 1.00 1.44 C ATOM 1580 OD1 ASP A 101 -10.821 -6.802 -2.980 1.00 1.54 O ATOM 1581 OD2 ASP A 101 -11.719 -7.874 -1.278 1.00 34.54 O ATOM 0 H ASP A 101 -10.005 -5.820 1.444 1.00 53.44 H new ATOM 0 HA ASP A 101 -8.842 -6.203 -1.179 1.00 62.20 H new ATOM 0 HB2 ASP A 101 -11.503 -5.726 0.012 1.00 30.21 H new ATOM 0 HB3 ASP A 101 -11.232 -4.753 -1.419 1.00 30.21 H new ATOM 1586 N ALA A 102 -8.869 -3.713 -2.020 1.00 12.43 N ATOM 1587 CA ALA A 102 -8.451 -2.371 -2.420 1.00 54.24 C ATOM 1588 C ALA A 102 -9.552 -1.338 -2.180 1.00 72.20 C ATOM 1589 O ALA A 102 -9.241 -0.175 -1.938 1.00 24.40 O ATOM 1590 CB ALA A 102 -8.053 -2.361 -3.895 1.00 65.42 C ATOM 0 H ALA A 102 -9.071 -4.329 -2.807 1.00 12.43 H new ATOM 0 HA ALA A 102 -7.593 -2.099 -1.805 1.00 54.24 H new ATOM 0 HB1 ALA A 102 -7.743 -1.356 -4.182 1.00 65.42 H new ATOM 0 HB2 ALA A 102 -7.227 -3.054 -4.054 1.00 65.42 H new ATOM 0 HB3 ALA A 102 -8.904 -2.666 -4.504 1.00 65.42 H new ATOM 1596 N ALA A 103 -10.829 -1.741 -2.190 1.00 72.33 N ATOM 1597 CA ALA A 103 -11.937 -0.842 -1.881 1.00 14.22 C ATOM 1598 C ALA A 103 -11.754 -0.217 -0.495 1.00 15.21 C ATOM 1599 O ALA A 103 -12.012 0.970 -0.314 1.00 41.43 O ATOM 1600 CB ALA A 103 -13.269 -1.592 -1.961 1.00 54.42 C ATOM 0 H ALA A 103 -11.117 -2.694 -2.412 1.00 72.33 H new ATOM 0 HA ALA A 103 -11.947 -0.039 -2.619 1.00 14.22 H new ATOM 0 HB1 ALA A 103 -14.086 -0.909 -1.728 1.00 54.42 H new ATOM 0 HB2 ALA A 103 -13.403 -1.989 -2.967 1.00 54.42 H new ATOM 0 HB3 ALA A 103 -13.268 -2.413 -1.245 1.00 54.42 H new ATOM 1606 N GLN A 104 -11.224 -0.986 0.462 1.00 41.31 N ATOM 1607 CA GLN A 104 -10.887 -0.501 1.794 1.00 43.41 C ATOM 1608 C GLN A 104 -9.681 0.456 1.800 1.00 73.21 C ATOM 1609 O GLN A 104 -9.192 0.769 2.889 1.00 42.30 O ATOM 1610 CB GLN A 104 -10.669 -1.696 2.738 1.00 53.33 C ATOM 1611 CG GLN A 104 -11.985 -2.429 3.071 1.00 44.42 C ATOM 1612 CD GLN A 104 -12.058 -2.810 4.551 1.00 4.33 C ATOM 1613 OE1 GLN A 104 -11.955 -1.959 5.434 1.00 71.40 O ATOM 1614 NE2 GLN A 104 -12.213 -4.088 4.860 1.00 43.24 N ATOM 0 H GLN A 104 -11.016 -1.975 0.326 1.00 41.31 H new ATOM 0 HA GLN A 104 -11.729 0.091 2.154 1.00 43.41 H new ATOM 0 HB2 GLN A 104 -9.972 -2.397 2.278 1.00 53.33 H new ATOM 0 HB3 GLN A 104 -10.207 -1.347 3.661 1.00 53.33 H new ATOM 0 HG2 GLN A 104 -12.832 -1.792 2.817 1.00 44.42 H new ATOM 0 HG3 GLN A 104 -12.067 -3.327 2.459 1.00 44.42 H new ATOM 0 HE21 GLN A 104 -12.297 -4.785 4.120 1.00 43.24 H new ATOM 0 HE22 GLN A 104 -12.248 -4.376 5.838 1.00 43.24 H new ATOM 1623 N VAL A 105 -9.210 0.928 0.639 1.00 3.24 N ATOM 1624 CA VAL A 105 -8.142 1.912 0.489 1.00 33.32 C ATOM 1625 C VAL A 105 -8.530 3.051 -0.462 1.00 5.24 C ATOM 1626 O VAL A 105 -8.249 4.205 -0.146 1.00 74.13 O ATOM 1627 CB VAL A 105 -6.846 1.224 0.009 1.00 72.04 C ATOM 1628 CG1 VAL A 105 -5.667 2.196 0.059 1.00 42.41 C ATOM 1629 CG2 VAL A 105 -6.478 -0.036 0.805 1.00 5.05 C ATOM 0 H VAL A 105 -9.583 0.618 -0.258 1.00 3.24 H new ATOM 0 HA VAL A 105 -7.970 2.358 1.469 1.00 33.32 H new ATOM 0 HB VAL A 105 -7.050 0.914 -1.016 1.00 72.04 H new ATOM 0 HG11 VAL A 105 -4.764 1.691 -0.283 1.00 42.41 H new ATOM 0 HG12 VAL A 105 -5.872 3.050 -0.587 1.00 42.41 H new ATOM 0 HG13 VAL A 105 -5.523 2.541 1.083 1.00 42.41 H new ATOM 0 HG21 VAL A 105 -5.556 -0.461 0.408 1.00 5.05 H new ATOM 0 HG22 VAL A 105 -6.335 0.225 1.854 1.00 5.05 H new ATOM 0 HG23 VAL A 105 -7.281 -0.768 0.720 1.00 5.05 H new ATOM 1639 N THR A 106 -9.135 2.768 -1.615 1.00 23.11 N ATOM 1640 CA THR A 106 -9.324 3.753 -2.684 1.00 14.34 C ATOM 1641 C THR A 106 -10.784 4.219 -2.815 1.00 21.11 C ATOM 1642 O THR A 106 -11.096 4.991 -3.725 1.00 13.15 O ATOM 1643 CB THR A 106 -8.682 3.241 -4.000 1.00 13.25 C ATOM 1644 OG1 THR A 106 -8.735 1.827 -4.101 1.00 51.42 O ATOM 1645 CG2 THR A 106 -7.205 3.655 -4.075 1.00 21.21 C ATOM 0 H THR A 106 -9.510 1.846 -1.837 1.00 23.11 H new ATOM 0 HA THR A 106 -8.793 4.667 -2.417 1.00 14.34 H new ATOM 0 HB THR A 106 -9.253 3.685 -4.815 1.00 13.25 H new ATOM 0 HG1 THR A 106 -8.322 1.544 -4.944 1.00 51.42 H new ATOM 0 HG21 THR A 106 -6.771 3.287 -5.005 1.00 21.21 H new ATOM 0 HG22 THR A 106 -7.130 4.742 -4.044 1.00 21.21 H new ATOM 0 HG23 THR A 106 -6.665 3.230 -3.229 1.00 21.21 H new