USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 706 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 83 ASN :FLIP amide:sc=-0.00484 F(o=-1.4,f=-0.074) USER MOD Set 1.2: A 97 MET CE :methyl -111:sc= -0.0695 (180deg=-1.8) USER MOD Set 2.1: A 33 THR OG1 : rot 155:sc= 0.478 USER MOD Set 2.2: A 43 LYS NZ :NH3+ 145:sc= 0.959 (180deg=-0.0305) USER MOD Set 3.1: A 9 THR OG1 : rot -28:sc= 0.0755 USER MOD Set 3.2: A 53 THR OG1 : rot -70:sc= 0.526 USER MOD Single : A 11 SER OG : rot -25:sc= 0.127 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -1.31 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 141:sc= -0.146 (180deg=-0.612) USER MOD Single : A 27 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0148) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.0422 K(o=-0.042,f=-1.2) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.314 K(o=-0.31,f=-1.1) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -133:sc= 0.982 (180deg=0.665) USER MOD Single : A 70 LYS NZ :NH3+ -173:sc= 1.26 (180deg=1.16) USER MOD Single : A 80 LYS NZ :NH3+ -139:sc= 1.13 (180deg=-0.321!) USER MOD Single : A 92 LYS NZ :NH3+ -162:sc= 0.291 (180deg=0.0737) USER MOD Single : A 95 HIS : no HD1:sc= 0.651 K(o=0.65,f=-7.9!) USER MOD Single : A 100 SER OG : rot -92:sc= 1.71 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 142 N THR A 9 4.904 2.655 13.574 1.00 51.42 N ATOM 143 CA THR A 9 4.442 3.346 12.357 1.00 23.51 C ATOM 144 C THR A 9 5.541 3.392 11.279 1.00 63.23 C ATOM 145 O THR A 9 6.530 2.665 11.360 1.00 34.22 O ATOM 146 CB THR A 9 3.985 4.791 12.674 1.00 11.13 C ATOM 147 OG1 THR A 9 5.060 5.524 13.287 1.00 52.31 O ATOM 148 CG2 THR A 9 2.765 4.791 13.591 1.00 22.42 C ATOM 0 HA THR A 9 3.596 2.775 11.975 1.00 23.51 H new ATOM 0 HB THR A 9 3.708 5.274 11.737 1.00 11.13 H new ATOM 0 HG1 THR A 9 5.649 4.903 13.764 1.00 52.31 H new ATOM 0 HG21 THR A 9 2.465 5.818 13.798 1.00 22.42 H new ATOM 0 HG22 THR A 9 1.944 4.264 13.104 1.00 22.42 H new ATOM 0 HG23 THR A 9 3.013 4.290 14.527 1.00 22.42 H new ATOM 156 N ILE A 10 5.373 4.264 10.274 1.00 3.34 N ATOM 157 CA ILE A 10 6.288 4.320 9.120 1.00 63.13 C ATOM 158 C ILE A 10 7.759 4.518 9.533 1.00 32.20 C ATOM 159 O ILE A 10 8.660 3.896 8.963 1.00 74.53 O ATOM 160 CB ILE A 10 5.877 5.428 8.115 1.00 71.02 C ATOM 161 CG1 ILE A 10 4.445 5.173 7.601 1.00 72.42 C ATOM 162 CG2 ILE A 10 6.865 5.494 6.945 1.00 32.15 C ATOM 163 CD1 ILE A 10 3.980 6.164 6.552 1.00 52.40 C ATOM 0 H ILE A 10 4.612 4.942 10.235 1.00 3.34 H new ATOM 0 HA ILE A 10 6.205 3.348 8.633 1.00 63.13 H new ATOM 0 HB ILE A 10 5.899 6.388 8.630 1.00 71.02 H new ATOM 0 HG12 ILE A 10 4.394 4.167 7.184 1.00 72.42 H new ATOM 0 HG13 ILE A 10 3.756 5.203 8.445 1.00 72.42 H new ATOM 0 HG21 ILE A 10 6.557 6.278 6.253 1.00 32.15 H new ATOM 0 HG22 ILE A 10 7.863 5.715 7.324 1.00 32.15 H new ATOM 0 HG23 ILE A 10 6.878 4.536 6.426 1.00 32.15 H new ATOM 0 HD11 ILE A 10 2.965 5.916 6.242 1.00 52.40 H new ATOM 0 HD12 ILE A 10 3.997 7.171 6.970 1.00 52.40 H new ATOM 0 HD13 ILE A 10 4.644 6.118 5.689 1.00 52.40 H new ATOM 175 N SER A 11 8.007 5.371 10.523 1.00 50.22 N ATOM 176 CA SER A 11 9.382 5.607 11.010 1.00 24.33 C ATOM 177 C SER A 11 9.961 4.382 11.741 1.00 20.00 C ATOM 178 O SER A 11 11.169 4.291 11.958 1.00 65.24 O ATOM 179 CB SER A 11 9.422 6.818 11.950 1.00 3.00 C ATOM 180 OG SER A 11 10.731 7.042 12.453 1.00 52.03 O ATOM 0 H SER A 11 7.288 5.910 11.006 1.00 50.22 H new ATOM 0 HA SER A 11 9.995 5.799 10.130 1.00 24.33 H new ATOM 0 HB2 SER A 11 9.079 7.705 11.418 1.00 3.00 H new ATOM 0 HB3 SER A 11 8.734 6.659 12.780 1.00 3.00 H new ATOM 0 HG SER A 11 11.237 6.203 12.432 1.00 52.03 H new ATOM 186 N LYS A 12 9.094 3.443 12.116 1.00 43.42 N ATOM 187 CA LYS A 12 9.506 2.271 12.902 1.00 2.43 C ATOM 188 C LYS A 12 9.606 1.002 12.029 1.00 31.35 C ATOM 189 O LYS A 12 9.988 -0.065 12.511 1.00 44.24 O ATOM 190 CB LYS A 12 8.491 2.027 14.027 1.00 64.44 C ATOM 191 CG LYS A 12 8.133 3.271 14.843 1.00 60.11 C ATOM 192 CD LYS A 12 9.339 3.885 15.551 1.00 24.33 C ATOM 193 CE LYS A 12 8.941 5.122 16.352 1.00 11.24 C ATOM 194 NZ LYS A 12 10.095 5.729 17.063 1.00 21.25 N ATOM 0 H LYS A 12 8.100 3.467 11.890 1.00 43.42 H new ATOM 0 HA LYS A 12 10.493 2.478 13.315 1.00 2.43 H new ATOM 0 HB2 LYS A 12 7.578 1.618 13.593 1.00 64.44 H new ATOM 0 HB3 LYS A 12 8.891 1.269 14.701 1.00 64.44 H new ATOM 0 HG2 LYS A 12 7.687 4.016 14.184 1.00 60.11 H new ATOM 0 HG3 LYS A 12 7.378 3.008 15.584 1.00 60.11 H new ATOM 0 HD2 LYS A 12 9.787 3.147 16.216 1.00 24.33 H new ATOM 0 HD3 LYS A 12 10.097 4.154 14.816 1.00 24.33 H new ATOM 0 HE2 LYS A 12 8.501 5.860 15.681 1.00 11.24 H new ATOM 0 HE3 LYS A 12 8.173 4.851 17.076 1.00 11.24 H new ATOM 0 HZ1 LYS A 12 9.776 6.565 17.593 1.00 21.25 H new ATOM 0 HZ2 LYS A 12 10.500 5.035 17.723 1.00 21.25 H new ATOM 0 HZ3 LYS A 12 10.818 6.013 16.372 1.00 21.25 H new ATOM 208 N LEU A 13 9.257 1.124 10.748 1.00 74.44 N ATOM 209 CA LEU A 13 9.205 -0.036 9.846 1.00 31.42 C ATOM 210 C LEU A 13 10.604 -0.563 9.486 1.00 41.00 C ATOM 211 O LEU A 13 11.355 0.089 8.759 1.00 13.33 O ATOM 212 CB LEU A 13 8.464 0.328 8.550 1.00 54.43 C ATOM 213 CG LEU A 13 7.045 0.882 8.721 1.00 64.21 C ATOM 214 CD1 LEU A 13 6.445 1.249 7.364 1.00 42.12 C ATOM 215 CD2 LEU A 13 6.157 -0.117 9.459 1.00 61.41 C ATOM 0 H LEU A 13 9.006 2.010 10.309 1.00 74.44 H new ATOM 0 HA LEU A 13 8.672 -0.822 10.380 1.00 31.42 H new ATOM 0 HB2 LEU A 13 9.058 1.065 8.010 1.00 54.43 H new ATOM 0 HB3 LEU A 13 8.412 -0.562 7.922 1.00 54.43 H new ATOM 0 HG LEU A 13 7.102 1.788 9.324 1.00 64.21 H new ATOM 0 HD11 LEU A 13 5.438 1.640 7.505 1.00 42.12 H new ATOM 0 HD12 LEU A 13 7.065 2.007 6.885 1.00 42.12 H new ATOM 0 HD13 LEU A 13 6.404 0.362 6.732 1.00 42.12 H new ATOM 0 HD21 LEU A 13 5.155 0.298 9.568 1.00 61.41 H new ATOM 0 HD22 LEU A 13 6.105 -1.046 8.891 1.00 61.41 H new ATOM 0 HD23 LEU A 13 6.576 -0.317 10.445 1.00 61.41 H new ATOM 227 N GLU A 14 10.947 -1.744 9.997 1.00 62.12 N ATOM 228 CA GLU A 14 12.186 -2.428 9.599 1.00 72.41 C ATOM 229 C GLU A 14 11.901 -3.473 8.506 1.00 70.21 C ATOM 230 O GLU A 14 10.825 -4.075 8.475 1.00 24.14 O ATOM 231 CB GLU A 14 12.844 -3.107 10.813 1.00 75.51 C ATOM 232 CG GLU A 14 14.163 -3.807 10.486 1.00 72.31 C ATOM 233 CD GLU A 14 14.785 -4.493 11.693 1.00 30.12 C ATOM 234 OE1 GLU A 14 15.576 -3.842 12.412 1.00 61.42 O ATOM 235 OE2 GLU A 14 14.489 -5.686 11.922 1.00 21.02 O ATOM 0 H GLU A 14 10.390 -2.250 10.686 1.00 62.12 H new ATOM 0 HA GLU A 14 12.871 -1.680 9.200 1.00 72.41 H new ATOM 0 HB2 GLU A 14 13.022 -2.358 11.585 1.00 75.51 H new ATOM 0 HB3 GLU A 14 12.150 -3.836 11.231 1.00 75.51 H new ATOM 0 HG2 GLU A 14 13.992 -4.546 9.703 1.00 72.31 H new ATOM 0 HG3 GLU A 14 14.867 -3.077 10.087 1.00 72.31 H new ATOM 242 N GLU A 15 12.862 -3.691 7.608 1.00 23.44 N ATOM 243 CA GLU A 15 12.690 -4.669 6.527 1.00 62.20 C ATOM 244 C GLU A 15 12.550 -6.097 7.084 1.00 33.30 C ATOM 245 O GLU A 15 13.246 -6.485 8.023 1.00 2.23 O ATOM 246 CB GLU A 15 13.856 -4.593 5.529 1.00 43.11 C ATOM 247 CG GLU A 15 15.210 -4.983 6.111 1.00 24.32 C ATOM 248 CD GLU A 15 16.322 -4.946 5.074 1.00 31.21 C ATOM 249 OE1 GLU A 15 16.228 -5.685 4.070 1.00 70.53 O ATOM 250 OE2 GLU A 15 17.299 -4.189 5.259 1.00 14.53 O ATOM 0 H GLU A 15 13.761 -3.210 7.605 1.00 23.44 H new ATOM 0 HA GLU A 15 11.769 -4.420 6.000 1.00 62.20 H new ATOM 0 HB2 GLU A 15 13.637 -5.244 4.683 1.00 43.11 H new ATOM 0 HB3 GLU A 15 13.920 -3.576 5.141 1.00 43.11 H new ATOM 0 HG2 GLU A 15 15.458 -4.307 6.930 1.00 24.32 H new ATOM 0 HG3 GLU A 15 15.145 -5.986 6.534 1.00 24.32 H new ATOM 257 N GLY A 16 11.636 -6.869 6.504 1.00 3.52 N ATOM 258 CA GLY A 16 11.367 -8.222 6.986 1.00 43.24 C ATOM 259 C GLY A 16 10.253 -8.277 8.033 1.00 52.41 C ATOM 260 O GLY A 16 9.775 -9.356 8.388 1.00 73.41 O ATOM 0 H GLY A 16 11.071 -6.584 5.704 1.00 3.52 H new ATOM 0 HA2 GLY A 16 11.095 -8.855 6.141 1.00 43.24 H new ATOM 0 HA3 GLY A 16 12.280 -8.637 7.414 1.00 43.24 H new ATOM 264 N ALA A 17 9.842 -7.113 8.532 1.00 42.45 N ATOM 265 CA ALA A 17 8.780 -7.027 9.542 1.00 22.11 C ATOM 266 C ALA A 17 7.384 -7.031 8.899 1.00 34.04 C ATOM 267 O ALA A 17 7.213 -6.625 7.746 1.00 4.21 O ATOM 268 CB ALA A 17 8.970 -5.775 10.398 1.00 12.03 C ATOM 0 H ALA A 17 10.228 -6.211 8.254 1.00 42.45 H new ATOM 0 HA ALA A 17 8.851 -7.909 10.178 1.00 22.11 H new ATOM 0 HB1 ALA A 17 8.177 -5.721 11.144 1.00 12.03 H new ATOM 0 HB2 ALA A 17 9.937 -5.820 10.899 1.00 12.03 H new ATOM 0 HB3 ALA A 17 8.931 -4.890 9.762 1.00 12.03 H new ATOM 274 N GLU A 18 6.386 -7.492 9.653 1.00 14.41 N ATOM 275 CA GLU A 18 5.001 -7.522 9.175 1.00 0.03 C ATOM 276 C GLU A 18 4.082 -6.723 10.112 1.00 63.22 C ATOM 277 O GLU A 18 3.806 -7.144 11.237 1.00 44.41 O ATOM 278 CB GLU A 18 4.523 -8.978 9.080 1.00 23.31 C ATOM 279 CG GLU A 18 3.098 -9.132 8.563 1.00 60.24 C ATOM 280 CD GLU A 18 2.647 -10.582 8.531 1.00 60.14 C ATOM 281 OE1 GLU A 18 2.985 -11.295 7.563 1.00 32.32 O ATOM 282 OE2 GLU A 18 1.965 -11.021 9.479 1.00 3.43 O ATOM 0 H GLU A 18 6.510 -7.851 10.600 1.00 14.41 H new ATOM 0 HA GLU A 18 4.961 -7.061 8.188 1.00 0.03 H new ATOM 0 HB2 GLU A 18 5.198 -9.529 8.424 1.00 23.31 H new ATOM 0 HB3 GLU A 18 4.592 -9.437 10.066 1.00 23.31 H new ATOM 0 HG2 GLU A 18 2.421 -8.558 9.195 1.00 60.24 H new ATOM 0 HG3 GLU A 18 3.031 -8.711 7.560 1.00 60.24 H new ATOM 289 N THR A 19 3.620 -5.565 9.648 1.00 33.40 N ATOM 290 CA THR A 19 2.771 -4.684 10.466 1.00 42.14 C ATOM 291 C THR A 19 1.859 -3.795 9.597 1.00 62.54 C ATOM 292 O THR A 19 2.163 -3.547 8.429 1.00 74.45 O ATOM 293 CB THR A 19 3.637 -3.790 11.387 1.00 52.12 C ATOM 294 OG1 THR A 19 2.808 -2.947 12.195 1.00 33.32 O ATOM 295 CG2 THR A 19 4.604 -2.937 10.575 1.00 64.31 C ATOM 0 H THR A 19 3.815 -5.209 8.712 1.00 33.40 H new ATOM 0 HA THR A 19 2.138 -5.329 11.075 1.00 42.14 H new ATOM 0 HB THR A 19 4.217 -4.447 12.035 1.00 52.12 H new ATOM 0 HG1 THR A 19 3.371 -2.390 12.772 1.00 33.32 H new ATOM 0 HG21 THR A 19 5.199 -2.320 11.249 1.00 64.31 H new ATOM 0 HG22 THR A 19 5.264 -3.585 9.998 1.00 64.31 H new ATOM 0 HG23 THR A 19 4.042 -2.295 9.897 1.00 64.31 H new ATOM 303 N PRO A 20 0.707 -3.337 10.136 1.00 40.20 N ATOM 304 CA PRO A 20 -0.120 -2.304 9.478 1.00 64.34 C ATOM 305 C PRO A 20 0.557 -0.917 9.458 1.00 61.22 C ATOM 306 O PRO A 20 1.258 -0.539 10.399 1.00 31.31 O ATOM 307 CB PRO A 20 -1.392 -2.262 10.343 1.00 74.12 C ATOM 308 CG PRO A 20 -0.956 -2.767 11.678 1.00 2.02 C ATOM 309 CD PRO A 20 0.094 -3.809 11.396 1.00 14.42 C ATOM 0 HA PRO A 20 -0.301 -2.543 8.430 1.00 64.34 H new ATOM 0 HB2 PRO A 20 -1.791 -1.250 10.413 1.00 74.12 H new ATOM 0 HB3 PRO A 20 -2.179 -2.886 9.921 1.00 74.12 H new ATOM 0 HG2 PRO A 20 -0.552 -1.960 12.289 1.00 2.02 H new ATOM 0 HG3 PRO A 20 -1.794 -3.195 12.228 1.00 2.02 H new ATOM 0 HD2 PRO A 20 0.826 -3.872 12.201 1.00 14.42 H new ATOM 0 HD3 PRO A 20 -0.343 -4.801 11.284 1.00 14.42 H new ATOM 317 N VAL A 21 0.320 -0.151 8.392 1.00 51.15 N ATOM 318 CA VAL A 21 0.911 1.187 8.240 1.00 63.22 C ATOM 319 C VAL A 21 -0.177 2.253 8.037 1.00 41.41 C ATOM 320 O VAL A 21 -1.287 1.948 7.598 1.00 54.51 O ATOM 321 CB VAL A 21 1.905 1.234 7.047 1.00 30.13 C ATOM 322 CG1 VAL A 21 3.025 0.213 7.237 1.00 52.43 C ATOM 323 CG2 VAL A 21 1.179 1.006 5.720 1.00 32.51 C ATOM 0 H VAL A 21 -0.279 -0.433 7.616 1.00 51.15 H new ATOM 0 HA VAL A 21 1.454 1.402 9.160 1.00 63.22 H new ATOM 0 HB VAL A 21 2.352 2.228 7.018 1.00 30.13 H new ATOM 0 HG11 VAL A 21 3.710 0.262 6.391 1.00 52.43 H new ATOM 0 HG12 VAL A 21 3.567 0.435 8.156 1.00 52.43 H new ATOM 0 HG13 VAL A 21 2.598 -0.788 7.300 1.00 52.43 H new ATOM 0 HG21 VAL A 21 1.897 1.044 4.901 1.00 32.51 H new ATOM 0 HG22 VAL A 21 0.695 0.030 5.733 1.00 32.51 H new ATOM 0 HG23 VAL A 21 0.427 1.782 5.579 1.00 32.51 H new ATOM 333 N THR A 22 0.146 3.505 8.352 1.00 44.25 N ATOM 334 CA THR A 22 -0.826 4.608 8.263 1.00 11.11 C ATOM 335 C THR A 22 -0.222 5.836 7.569 1.00 40.53 C ATOM 336 O THR A 22 0.931 6.188 7.813 1.00 14.12 O ATOM 337 CB THR A 22 -1.320 5.033 9.671 1.00 5.34 C ATOM 338 OG1 THR A 22 -1.836 3.895 10.384 1.00 12.53 O ATOM 339 CG2 THR A 22 -2.400 6.104 9.574 1.00 12.11 C ATOM 0 H THR A 22 1.072 3.788 8.672 1.00 44.25 H new ATOM 0 HA THR A 22 -1.665 4.237 7.675 1.00 11.11 H new ATOM 0 HB THR A 22 -0.468 5.445 10.212 1.00 5.34 H new ATOM 0 HG1 THR A 22 -2.143 4.176 11.271 1.00 12.53 H new ATOM 0 HG21 THR A 22 -2.727 6.382 10.576 1.00 12.11 H new ATOM 0 HG22 THR A 22 -1.998 6.981 9.067 1.00 12.11 H new ATOM 0 HG23 THR A 22 -3.248 5.715 9.010 1.00 12.11 H new ATOM 347 N GLY A 23 -1.003 6.484 6.705 1.00 31.14 N ATOM 348 CA GLY A 23 -0.534 7.695 6.034 1.00 41.10 C ATOM 349 C GLY A 23 -1.568 8.296 5.080 1.00 30.43 C ATOM 350 O GLY A 23 -2.538 7.636 4.704 1.00 11.04 O ATOM 0 H GLY A 23 -1.949 6.196 6.456 1.00 31.14 H new ATOM 0 HA2 GLY A 23 -0.267 8.438 6.785 1.00 41.10 H new ATOM 0 HA3 GLY A 23 0.374 7.465 5.477 1.00 41.10 H new ATOM 354 N ARG A 24 -1.367 9.556 4.687 1.00 42.23 N ATOM 355 CA ARG A 24 -2.264 10.215 3.729 1.00 43.40 C ATOM 356 C ARG A 24 -1.798 9.976 2.286 1.00 32.15 C ATOM 357 O ARG A 24 -0.600 10.014 1.997 1.00 21.52 O ATOM 358 CB ARG A 24 -2.344 11.726 4.000 1.00 25.15 C ATOM 359 CG ARG A 24 -2.703 12.079 5.439 1.00 75.25 C ATOM 360 CD ARG A 24 -3.034 13.562 5.595 1.00 50.43 C ATOM 361 NE ARG A 24 -4.330 13.907 4.996 1.00 13.12 N ATOM 362 CZ ARG A 24 -4.481 14.540 3.862 1.00 1.54 C ATOM 363 NH1 ARG A 24 -3.456 14.904 3.165 1.00 74.42 N ATOM 364 NH2 ARG A 24 -5.667 14.812 3.424 1.00 71.42 N ATOM 0 H ARG A 24 -0.597 10.139 5.014 1.00 42.23 H new ATOM 0 HA ARG A 24 -3.255 9.780 3.857 1.00 43.40 H new ATOM 0 HB2 ARG A 24 -1.384 12.180 3.754 1.00 25.15 H new ATOM 0 HB3 ARG A 24 -3.085 12.166 3.333 1.00 25.15 H new ATOM 0 HG2 ARG A 24 -3.557 11.481 5.758 1.00 75.25 H new ATOM 0 HG3 ARG A 24 -1.871 11.822 6.095 1.00 75.25 H new ATOM 0 HD2 ARG A 24 -3.045 13.821 6.654 1.00 50.43 H new ATOM 0 HD3 ARG A 24 -2.250 14.159 5.129 1.00 50.43 H new ATOM 0 HE ARG A 24 -5.173 13.633 5.501 1.00 13.12 H new ATOM 0 HH11 ARG A 24 -2.514 14.698 3.498 1.00 74.42 H new ATOM 0 HH12 ARG A 24 -3.589 15.397 2.282 1.00 74.42 H new ATOM 0 HH21 ARG A 24 -6.486 14.533 3.963 1.00 71.42 H new ATOM 0 HH22 ARG A 24 -5.783 15.306 2.539 1.00 71.42 H new ATOM 378 N VAL A 25 -2.742 9.729 1.385 1.00 71.34 N ATOM 379 CA VAL A 25 -2.419 9.478 -0.022 1.00 62.23 C ATOM 380 C VAL A 25 -1.983 10.767 -0.738 1.00 33.22 C ATOM 381 O VAL A 25 -2.609 11.818 -0.583 1.00 33.00 O ATOM 382 CB VAL A 25 -3.631 8.870 -0.774 1.00 51.01 C ATOM 383 CG1 VAL A 25 -3.266 8.532 -2.217 1.00 21.43 C ATOM 384 CG2 VAL A 25 -4.161 7.637 -0.045 1.00 40.24 C ATOM 0 H VAL A 25 -3.739 9.696 1.600 1.00 71.34 H new ATOM 0 HA VAL A 25 -1.592 8.768 -0.033 1.00 62.23 H new ATOM 0 HB VAL A 25 -4.423 9.618 -0.794 1.00 51.01 H new ATOM 0 HG11 VAL A 25 -4.134 8.107 -2.722 1.00 21.43 H new ATOM 0 HG12 VAL A 25 -2.953 9.438 -2.735 1.00 21.43 H new ATOM 0 HG13 VAL A 25 -2.451 7.809 -2.226 1.00 21.43 H new ATOM 0 HG21 VAL A 25 -5.011 7.228 -0.592 1.00 40.24 H new ATOM 0 HG22 VAL A 25 -3.374 6.885 0.018 1.00 40.24 H new ATOM 0 HG23 VAL A 25 -4.477 7.916 0.960 1.00 40.24 H new ATOM 394 N MET A 26 -0.902 10.687 -1.512 1.00 32.14 N ATOM 395 CA MET A 26 -0.445 11.827 -2.315 1.00 62.50 C ATOM 396 C MET A 26 -0.547 11.520 -3.815 1.00 43.11 C ATOM 397 O MET A 26 -1.280 12.184 -4.545 1.00 73.10 O ATOM 398 CB MET A 26 0.999 12.198 -1.956 1.00 34.31 C ATOM 399 CG MET A 26 1.510 13.439 -2.676 1.00 45.14 C ATOM 400 SD MET A 26 3.208 13.859 -2.233 1.00 53.23 S ATOM 401 CE MET A 26 4.086 12.405 -2.807 1.00 5.20 C ATOM 0 H MET A 26 -0.326 9.850 -1.602 1.00 32.14 H new ATOM 0 HA MET A 26 -1.094 12.673 -2.089 1.00 62.50 H new ATOM 0 HB2 MET A 26 1.066 12.360 -0.880 1.00 34.31 H new ATOM 0 HB3 MET A 26 1.650 11.357 -2.193 1.00 34.31 H new ATOM 0 HG2 MET A 26 1.450 13.279 -3.752 1.00 45.14 H new ATOM 0 HG3 MET A 26 0.860 14.282 -2.442 1.00 45.14 H new ATOM 0 HE1 MET A 26 5.035 12.705 -3.251 1.00 5.20 H new ATOM 0 HE2 MET A 26 4.274 11.738 -1.966 1.00 5.20 H new ATOM 0 HE3 MET A 26 3.484 11.887 -3.553 1.00 5.20 H new ATOM 411 N LYS A 27 0.199 10.510 -4.269 1.00 42.25 N ATOM 412 CA LYS A 27 0.196 10.115 -5.686 1.00 10.23 C ATOM 413 C LYS A 27 -0.080 8.611 -5.855 1.00 34.21 C ATOM 414 O LYS A 27 0.603 7.774 -5.267 1.00 22.44 O ATOM 415 CB LYS A 27 1.541 10.464 -6.355 1.00 3.15 C ATOM 416 CG LYS A 27 1.868 11.959 -6.389 1.00 22.34 C ATOM 417 CD LYS A 27 0.724 12.779 -6.980 1.00 15.24 C ATOM 418 CE LYS A 27 1.150 14.203 -7.333 1.00 72.24 C ATOM 419 NZ LYS A 27 1.699 14.939 -6.165 1.00 72.42 N ATOM 0 H LYS A 27 0.814 9.949 -3.679 1.00 42.25 H new ATOM 0 HA LYS A 27 -0.606 10.672 -6.170 1.00 10.23 H new ATOM 0 HB2 LYS A 27 2.340 9.943 -5.828 1.00 3.15 H new ATOM 0 HB3 LYS A 27 1.533 10.084 -7.377 1.00 3.15 H new ATOM 0 HG2 LYS A 27 2.080 12.307 -5.378 1.00 22.34 H new ATOM 0 HG3 LYS A 27 2.771 12.120 -6.977 1.00 22.34 H new ATOM 0 HD2 LYS A 27 0.349 12.282 -7.875 1.00 15.24 H new ATOM 0 HD3 LYS A 27 -0.100 12.815 -6.267 1.00 15.24 H new ATOM 0 HE2 LYS A 27 1.901 14.169 -8.122 1.00 72.24 H new ATOM 0 HE3 LYS A 27 0.293 14.747 -7.731 1.00 72.24 H new ATOM 0 HZ1 LYS A 27 1.894 15.924 -6.436 1.00 72.42 H new ATOM 0 HZ2 LYS A 27 1.007 14.924 -5.389 1.00 72.42 H new ATOM 0 HZ3 LYS A 27 2.581 14.485 -5.852 1.00 72.42 H new ATOM 433 N ILE A 28 -1.084 8.276 -6.660 1.00 40.03 N ATOM 434 CA ILE A 28 -1.396 6.877 -6.974 1.00 23.42 C ATOM 435 C ILE A 28 -0.976 6.526 -8.412 1.00 30.15 C ATOM 436 O ILE A 28 -1.528 7.052 -9.385 1.00 14.34 O ATOM 437 CB ILE A 28 -2.910 6.577 -6.798 1.00 20.23 C ATOM 438 CG1 ILE A 28 -3.349 6.861 -5.351 1.00 11.24 C ATOM 439 CG2 ILE A 28 -3.227 5.131 -7.186 1.00 4.41 C ATOM 440 CD1 ILE A 28 -4.822 6.607 -5.091 1.00 61.15 C ATOM 0 H ILE A 28 -1.700 8.953 -7.110 1.00 40.03 H new ATOM 0 HA ILE A 28 -0.831 6.263 -6.273 1.00 23.42 H new ATOM 0 HB ILE A 28 -3.469 7.235 -7.463 1.00 20.23 H new ATOM 0 HG12 ILE A 28 -2.759 6.241 -4.675 1.00 11.24 H new ATOM 0 HG13 ILE A 28 -3.122 7.900 -5.111 1.00 11.24 H new ATOM 0 HG21 ILE A 28 -4.293 4.944 -7.055 1.00 4.41 H new ATOM 0 HG22 ILE A 28 -2.956 4.966 -8.229 1.00 4.41 H new ATOM 0 HG23 ILE A 28 -2.659 4.451 -6.551 1.00 4.41 H new ATOM 0 HD11 ILE A 28 -5.051 6.830 -4.049 1.00 61.15 H new ATOM 0 HD12 ILE A 28 -5.421 7.246 -5.740 1.00 61.15 H new ATOM 0 HD13 ILE A 28 -5.053 5.562 -5.297 1.00 61.15 H new ATOM 452 N SER A 29 0.012 5.645 -8.542 1.00 32.55 N ATOM 453 CA SER A 29 0.469 5.181 -9.857 1.00 41.03 C ATOM 454 C SER A 29 -0.498 4.134 -10.426 1.00 43.24 C ATOM 455 O SER A 29 -1.077 3.342 -9.681 1.00 75.43 O ATOM 456 CB SER A 29 1.886 4.598 -9.754 1.00 33.14 C ATOM 457 OG SER A 29 2.801 5.562 -9.248 1.00 34.30 O ATOM 0 H SER A 29 0.515 5.235 -7.755 1.00 32.55 H new ATOM 0 HA SER A 29 0.491 6.034 -10.535 1.00 41.03 H new ATOM 0 HB2 SER A 29 1.877 3.724 -9.103 1.00 33.14 H new ATOM 0 HB3 SER A 29 2.216 4.260 -10.736 1.00 33.14 H new ATOM 0 HG SER A 29 3.695 5.166 -9.190 1.00 34.30 H new ATOM 463 N SER A 30 -0.669 4.136 -11.746 1.00 12.00 N ATOM 464 CA SER A 30 -1.640 3.248 -12.405 1.00 4.45 C ATOM 465 C SER A 30 -1.278 1.762 -12.232 1.00 25.15 C ATOM 466 O SER A 30 -0.101 1.404 -12.115 1.00 32.11 O ATOM 467 CB SER A 30 -1.743 3.582 -13.901 1.00 35.32 C ATOM 468 OG SER A 30 -2.046 4.955 -14.102 1.00 61.31 O ATOM 0 H SER A 30 -0.151 4.740 -12.385 1.00 12.00 H new ATOM 0 HA SER A 30 -2.603 3.416 -11.924 1.00 4.45 H new ATOM 0 HB2 SER A 30 -0.803 3.338 -14.396 1.00 35.32 H new ATOM 0 HB3 SER A 30 -2.515 2.965 -14.361 1.00 35.32 H new ATOM 0 HG SER A 30 -2.104 5.140 -15.063 1.00 61.31 H new ATOM 474 N PRO A 31 -2.296 0.876 -12.211 1.00 14.54 N ATOM 475 CA PRO A 31 -2.087 -0.577 -12.073 1.00 3.31 C ATOM 476 C PRO A 31 -1.302 -1.179 -13.251 1.00 1.41 C ATOM 477 O PRO A 31 -1.737 -1.122 -14.403 1.00 21.51 O ATOM 478 CB PRO A 31 -3.518 -1.144 -12.027 1.00 22.23 C ATOM 479 CG PRO A 31 -4.360 -0.099 -12.679 1.00 24.12 C ATOM 480 CD PRO A 31 -3.729 1.215 -12.318 1.00 23.53 C ATOM 0 HA PRO A 31 -1.492 -0.817 -11.192 1.00 3.31 H new ATOM 0 HB2 PRO A 31 -3.585 -2.094 -12.557 1.00 22.23 H new ATOM 0 HB3 PRO A 31 -3.838 -1.328 -11.002 1.00 22.23 H new ATOM 0 HG2 PRO A 31 -4.387 -0.236 -13.760 1.00 24.12 H new ATOM 0 HG3 PRO A 31 -5.390 -0.149 -12.325 1.00 24.12 H new ATOM 0 HD2 PRO A 31 -3.909 1.972 -13.081 1.00 23.53 H new ATOM 0 HD3 PRO A 31 -4.122 1.608 -11.380 1.00 23.53 H new ATOM 488 N ARG A 32 -0.147 -1.759 -12.948 1.00 13.14 N ATOM 489 CA ARG A 32 0.727 -2.362 -13.954 1.00 42.42 C ATOM 490 C ARG A 32 0.448 -3.870 -14.090 1.00 1.11 C ATOM 491 O ARG A 32 0.568 -4.626 -13.121 1.00 63.15 O ATOM 492 CB ARG A 32 2.188 -2.116 -13.554 1.00 43.24 C ATOM 493 CG ARG A 32 3.213 -2.538 -14.600 1.00 53.22 C ATOM 494 CD ARG A 32 4.627 -2.176 -14.158 1.00 62.11 C ATOM 495 NE ARG A 32 5.613 -2.407 -15.209 1.00 42.23 N ATOM 496 CZ ARG A 32 6.884 -2.141 -15.093 1.00 34.41 C ATOM 497 NH1 ARG A 32 7.370 -1.672 -13.987 1.00 11.23 N ATOM 498 NH2 ARG A 32 7.671 -2.348 -16.090 1.00 2.01 N ATOM 0 H ARG A 32 0.213 -1.826 -11.996 1.00 13.14 H new ATOM 0 HA ARG A 32 0.532 -1.903 -14.923 1.00 42.42 H new ATOM 0 HB2 ARG A 32 2.319 -1.055 -13.344 1.00 43.24 H new ATOM 0 HB3 ARG A 32 2.392 -2.652 -12.627 1.00 43.24 H new ATOM 0 HG2 ARG A 32 3.145 -3.613 -14.768 1.00 53.22 H new ATOM 0 HG3 ARG A 32 2.990 -2.052 -15.550 1.00 53.22 H new ATOM 0 HD2 ARG A 32 4.655 -1.128 -13.861 1.00 62.11 H new ATOM 0 HD3 ARG A 32 4.892 -2.764 -13.279 1.00 62.11 H new ATOM 0 HE ARG A 32 5.287 -2.802 -16.091 1.00 42.23 H new ATOM 0 HH11 ARG A 32 6.756 -1.505 -13.190 1.00 11.23 H new ATOM 0 HH12 ARG A 32 8.367 -1.469 -13.913 1.00 11.23 H new ATOM 0 HH21 ARG A 32 7.299 -2.718 -16.965 1.00 2.01 H new ATOM 0 HH22 ARG A 32 8.666 -2.142 -16.005 1.00 2.01 H new ATOM 512 N THR A 33 0.072 -4.299 -15.292 1.00 73.32 N ATOM 513 CA THR A 33 -0.308 -5.699 -15.541 1.00 21.44 C ATOM 514 C THR A 33 0.899 -6.562 -15.937 1.00 31.34 C ATOM 515 O THR A 33 1.611 -6.250 -16.894 1.00 24.03 O ATOM 516 CB THR A 33 -1.387 -5.806 -16.653 1.00 33.13 C ATOM 517 OG1 THR A 33 -2.534 -5.015 -16.312 1.00 64.15 O ATOM 518 CG2 THR A 33 -1.835 -7.249 -16.860 1.00 12.23 C ATOM 0 H THR A 33 0.020 -3.700 -16.116 1.00 73.32 H new ATOM 0 HA THR A 33 -0.716 -6.073 -14.602 1.00 21.44 H new ATOM 0 HB THR A 33 -0.937 -5.439 -17.575 1.00 33.13 H new ATOM 0 HG1 THR A 33 -3.009 -4.759 -17.130 1.00 64.15 H new ATOM 0 HG21 THR A 33 -2.590 -7.286 -17.645 1.00 12.23 H new ATOM 0 HG22 THR A 33 -0.979 -7.858 -17.151 1.00 12.23 H new ATOM 0 HG23 THR A 33 -2.257 -7.636 -15.932 1.00 12.23 H new ATOM 526 N PHE A 34 1.123 -7.641 -15.188 1.00 21.34 N ATOM 527 CA PHE A 34 2.164 -8.630 -15.505 1.00 44.52 C ATOM 528 C PHE A 34 1.531 -10.014 -15.731 1.00 25.20 C ATOM 529 O PHE A 34 0.333 -10.190 -15.541 1.00 43.12 O ATOM 530 CB PHE A 34 3.220 -8.701 -14.387 1.00 44.44 C ATOM 531 CG PHE A 34 2.697 -9.193 -13.056 1.00 22.34 C ATOM 532 CD1 PHE A 34 2.665 -10.551 -12.763 1.00 2.54 C ATOM 533 CD2 PHE A 34 2.243 -8.298 -12.099 1.00 73.21 C ATOM 534 CE1 PHE A 34 2.189 -11.002 -11.548 1.00 14.33 C ATOM 535 CE2 PHE A 34 1.767 -8.746 -10.882 1.00 2.42 C ATOM 536 CZ PHE A 34 1.740 -10.098 -10.605 1.00 75.31 C ATOM 0 H PHE A 34 0.591 -7.858 -14.345 1.00 21.34 H new ATOM 0 HA PHE A 34 2.664 -8.315 -16.421 1.00 44.52 H new ATOM 0 HB2 PHE A 34 4.028 -9.357 -14.710 1.00 44.44 H new ATOM 0 HB3 PHE A 34 3.651 -7.709 -14.249 1.00 44.44 H new ATOM 0 HD1 PHE A 34 3.017 -11.263 -13.495 1.00 2.54 H new ATOM 0 HD2 PHE A 34 2.262 -7.238 -12.308 1.00 73.21 H new ATOM 0 HE1 PHE A 34 2.168 -12.061 -11.335 1.00 14.33 H new ATOM 0 HE2 PHE A 34 1.416 -8.038 -10.146 1.00 2.42 H new ATOM 0 HZ PHE A 34 1.369 -10.448 -9.653 1.00 75.31 H new ATOM 666 N GLY A 42 -2.561 -11.085 -13.676 1.00 32.30 N ATOM 667 CA GLY A 42 -1.395 -10.540 -12.983 1.00 75.34 C ATOM 668 C GLY A 42 -1.353 -9.009 -12.994 1.00 61.31 C ATOM 669 O GLY A 42 -1.259 -8.393 -14.050 1.00 51.12 O ATOM 0 HA2 GLY A 42 -1.396 -10.890 -11.951 1.00 75.34 H new ATOM 0 HA3 GLY A 42 -0.489 -10.926 -13.450 1.00 75.34 H new ATOM 673 N LYS A 43 -1.422 -8.391 -11.814 1.00 41.13 N ATOM 674 CA LYS A 43 -1.381 -6.921 -11.689 1.00 51.43 C ATOM 675 C LYS A 43 -0.749 -6.468 -10.363 1.00 54.12 C ATOM 676 O LYS A 43 -0.765 -7.194 -9.366 1.00 1.14 O ATOM 677 CB LYS A 43 -2.789 -6.302 -11.807 1.00 51.12 C ATOM 678 CG LYS A 43 -3.381 -6.311 -13.216 1.00 54.53 C ATOM 679 CD LYS A 43 -4.746 -5.617 -13.261 1.00 73.12 C ATOM 680 CE LYS A 43 -5.026 -4.976 -14.620 1.00 51.44 C ATOM 681 NZ LYS A 43 -5.042 -5.963 -15.728 1.00 11.00 N ATOM 0 H LYS A 43 -1.507 -8.882 -10.924 1.00 41.13 H new ATOM 0 HA LYS A 43 -0.760 -6.569 -12.512 1.00 51.43 H new ATOM 0 HB2 LYS A 43 -3.464 -6.841 -11.142 1.00 51.12 H new ATOM 0 HB3 LYS A 43 -2.748 -5.272 -11.453 1.00 51.12 H new ATOM 0 HG2 LYS A 43 -2.696 -5.812 -13.902 1.00 54.53 H new ATOM 0 HG3 LYS A 43 -3.484 -7.340 -13.561 1.00 54.53 H new ATOM 0 HD2 LYS A 43 -5.528 -6.343 -13.036 1.00 73.12 H new ATOM 0 HD3 LYS A 43 -4.788 -4.852 -12.485 1.00 73.12 H new ATOM 0 HE2 LYS A 43 -5.986 -4.462 -14.583 1.00 51.44 H new ATOM 0 HE3 LYS A 43 -4.267 -4.220 -14.823 1.00 51.44 H new ATOM 0 HZ1 LYS A 43 -5.753 -5.682 -16.433 1.00 11.00 H new ATOM 0 HZ2 LYS A 43 -4.104 -5.997 -16.177 1.00 11.00 H new ATOM 0 HZ3 LYS A 43 -5.280 -6.903 -15.352 1.00 11.00 H new ATOM 695 N LEU A 44 -0.188 -5.260 -10.377 1.00 42.24 N ATOM 696 CA LEU A 44 0.338 -4.610 -9.168 1.00 65.50 C ATOM 697 C LEU A 44 0.240 -3.079 -9.298 1.00 65.31 C ATOM 698 O LEU A 44 0.226 -2.547 -10.405 1.00 25.12 O ATOM 699 CB LEU A 44 1.792 -5.063 -8.901 1.00 33.25 C ATOM 700 CG LEU A 44 2.805 -4.851 -10.053 1.00 63.12 C ATOM 701 CD1 LEU A 44 3.305 -3.408 -10.108 1.00 35.21 C ATOM 702 CD2 LEU A 44 3.982 -5.817 -9.929 1.00 61.13 C ATOM 0 H LEU A 44 -0.083 -4.701 -11.224 1.00 42.24 H new ATOM 0 HA LEU A 44 -0.266 -4.912 -8.313 1.00 65.50 H new ATOM 0 HB2 LEU A 44 2.159 -4.532 -8.022 1.00 33.25 H new ATOM 0 HB3 LEU A 44 1.778 -6.124 -8.650 1.00 33.25 H new ATOM 0 HG LEU A 44 2.281 -5.058 -10.986 1.00 63.12 H new ATOM 0 HD11 LEU A 44 4.014 -3.300 -10.929 1.00 35.21 H new ATOM 0 HD12 LEU A 44 2.461 -2.736 -10.266 1.00 35.21 H new ATOM 0 HD13 LEU A 44 3.797 -3.157 -9.168 1.00 35.21 H new ATOM 0 HD21 LEU A 44 4.679 -5.648 -10.750 1.00 61.13 H new ATOM 0 HD22 LEU A 44 4.491 -5.650 -8.980 1.00 61.13 H new ATOM 0 HD23 LEU A 44 3.616 -6.843 -9.969 1.00 61.13 H new ATOM 714 N ALA A 45 0.163 -2.370 -8.174 1.00 71.50 N ATOM 715 CA ALA A 45 0.049 -0.903 -8.199 1.00 33.01 C ATOM 716 C ALA A 45 0.927 -0.240 -7.129 1.00 75.41 C ATOM 717 O ALA A 45 1.089 -0.770 -6.032 1.00 42.12 O ATOM 718 CB ALA A 45 -1.408 -0.484 -8.022 1.00 15.23 C ATOM 0 H ALA A 45 0.177 -2.778 -7.239 1.00 71.50 H new ATOM 0 HA ALA A 45 0.406 -0.563 -9.171 1.00 33.01 H new ATOM 0 HB1 ALA A 45 -1.479 0.604 -8.042 1.00 15.23 H new ATOM 0 HB2 ALA A 45 -2.008 -0.902 -8.831 1.00 15.23 H new ATOM 0 HB3 ALA A 45 -1.779 -0.854 -7.066 1.00 15.23 H new ATOM 724 N ASN A 46 1.491 0.922 -7.454 1.00 14.33 N ATOM 725 CA ASN A 46 2.321 1.675 -6.504 1.00 72.51 C ATOM 726 C ASN A 46 1.589 2.921 -5.979 1.00 31.10 C ATOM 727 O ASN A 46 1.352 3.877 -6.722 1.00 14.21 O ATOM 728 CB ASN A 46 3.638 2.089 -7.168 1.00 41.11 C ATOM 729 CG ASN A 46 4.515 0.900 -7.514 1.00 60.33 C ATOM 730 OD1 ASN A 46 5.380 0.505 -6.743 1.00 43.34 O ATOM 731 ND2 ASN A 46 4.292 0.313 -8.672 1.00 2.25 N ATOM 0 H ASN A 46 1.391 1.366 -8.367 1.00 14.33 H new ATOM 0 HA ASN A 46 2.529 1.023 -5.656 1.00 72.51 H new ATOM 0 HB2 ASN A 46 3.422 2.653 -8.075 1.00 41.11 H new ATOM 0 HB3 ASN A 46 4.183 2.756 -6.501 1.00 41.11 H new ATOM 0 HD21 ASN A 46 4.848 -0.496 -8.949 1.00 2.25 H new ATOM 0 HD22 ASN A 46 3.563 0.667 -9.291 1.00 2.25 H new ATOM 738 N VAL A 47 1.233 2.907 -4.697 1.00 42.12 N ATOM 739 CA VAL A 47 0.586 4.058 -4.055 1.00 14.30 C ATOM 740 C VAL A 47 1.560 4.781 -3.112 1.00 31.13 C ATOM 741 O VAL A 47 2.109 4.183 -2.185 1.00 63.21 O ATOM 742 CB VAL A 47 -0.675 3.629 -3.262 1.00 62.31 C ATOM 743 CG1 VAL A 47 -1.322 4.827 -2.563 1.00 74.33 C ATOM 744 CG2 VAL A 47 -1.677 2.936 -4.187 1.00 43.43 C ATOM 0 H VAL A 47 1.380 2.111 -4.077 1.00 42.12 H new ATOM 0 HA VAL A 47 0.284 4.740 -4.850 1.00 14.30 H new ATOM 0 HB VAL A 47 -0.367 2.921 -2.492 1.00 62.31 H new ATOM 0 HG11 VAL A 47 -2.204 4.496 -2.015 1.00 74.33 H new ATOM 0 HG12 VAL A 47 -0.609 5.272 -1.869 1.00 74.33 H new ATOM 0 HG13 VAL A 47 -1.614 5.568 -3.307 1.00 74.33 H new ATOM 0 HG21 VAL A 47 -2.557 2.641 -3.615 1.00 43.43 H new ATOM 0 HG22 VAL A 47 -1.974 3.621 -4.981 1.00 43.43 H new ATOM 0 HG23 VAL A 47 -1.216 2.051 -4.625 1.00 43.43 H new ATOM 754 N ILE A 48 1.773 6.071 -3.360 1.00 24.21 N ATOM 755 CA ILE A 48 2.692 6.881 -2.557 1.00 71.32 C ATOM 756 C ILE A 48 1.954 7.607 -1.421 1.00 0.11 C ATOM 757 O ILE A 48 1.208 8.568 -1.658 1.00 2.11 O ATOM 758 CB ILE A 48 3.430 7.925 -3.437 1.00 1.21 C ATOM 759 CG1 ILE A 48 4.172 7.236 -4.595 1.00 32.52 C ATOM 760 CG2 ILE A 48 4.400 8.758 -2.596 1.00 43.14 C ATOM 761 CD1 ILE A 48 5.252 6.267 -4.154 1.00 42.30 C ATOM 0 H ILE A 48 1.319 6.583 -4.116 1.00 24.21 H new ATOM 0 HA ILE A 48 3.422 6.198 -2.123 1.00 71.32 H new ATOM 0 HB ILE A 48 2.683 8.597 -3.861 1.00 1.21 H new ATOM 0 HG12 ILE A 48 3.447 6.700 -5.208 1.00 32.52 H new ATOM 0 HG13 ILE A 48 4.622 8.000 -5.229 1.00 32.52 H new ATOM 0 HG21 ILE A 48 4.905 9.483 -3.234 1.00 43.14 H new ATOM 0 HG22 ILE A 48 3.847 9.284 -1.817 1.00 43.14 H new ATOM 0 HG23 ILE A 48 5.139 8.102 -2.136 1.00 43.14 H new ATOM 0 HD11 ILE A 48 5.725 5.826 -5.031 1.00 42.30 H new ATOM 0 HD12 ILE A 48 6.001 6.799 -3.567 1.00 42.30 H new ATOM 0 HD13 ILE A 48 4.808 5.479 -3.546 1.00 42.30 H new ATOM 773 N ILE A 49 2.160 7.140 -0.191 1.00 2.45 N ATOM 774 CA ILE A 49 1.561 7.767 0.992 1.00 73.43 C ATOM 775 C ILE A 49 2.613 8.538 1.805 1.00 2.05 C ATOM 776 O ILE A 49 3.807 8.219 1.767 1.00 54.24 O ATOM 777 CB ILE A 49 0.868 6.723 1.910 1.00 4.13 C ATOM 778 CG1 ILE A 49 1.891 5.703 2.446 1.00 51.01 C ATOM 779 CG2 ILE A 49 -0.266 6.017 1.162 1.00 61.42 C ATOM 780 CD1 ILE A 49 1.300 4.674 3.393 1.00 12.43 C ATOM 0 H ILE A 49 2.739 6.326 0.016 1.00 2.45 H new ATOM 0 HA ILE A 49 0.807 8.464 0.627 1.00 73.43 H new ATOM 0 HB ILE A 49 0.438 7.248 2.763 1.00 4.13 H new ATOM 0 HG12 ILE A 49 2.348 5.185 1.603 1.00 51.01 H new ATOM 0 HG13 ILE A 49 2.688 6.240 2.961 1.00 51.01 H new ATOM 0 HG21 ILE A 49 -0.739 5.290 1.821 1.00 61.42 H new ATOM 0 HG22 ILE A 49 -1.005 6.752 0.843 1.00 61.42 H new ATOM 0 HG23 ILE A 49 0.138 5.506 0.288 1.00 61.42 H new ATOM 0 HD11 ILE A 49 2.084 3.993 3.726 1.00 12.43 H new ATOM 0 HD12 ILE A 49 0.868 5.180 4.257 1.00 12.43 H new ATOM 0 HD13 ILE A 49 0.523 4.109 2.878 1.00 12.43 H new ATOM 792 N ALA A 50 2.166 9.554 2.536 1.00 51.54 N ATOM 793 CA ALA A 50 3.059 10.375 3.360 1.00 34.33 C ATOM 794 C ALA A 50 2.481 10.598 4.765 1.00 1.01 C ATOM 795 O ALA A 50 1.305 10.935 4.921 1.00 52.42 O ATOM 796 CB ALA A 50 3.321 11.711 2.673 1.00 1.10 C ATOM 0 H ALA A 50 1.186 9.833 2.577 1.00 51.54 H new ATOM 0 HA ALA A 50 4.002 9.840 3.473 1.00 34.33 H new ATOM 0 HB1 ALA A 50 3.985 12.314 3.292 1.00 1.10 H new ATOM 0 HB2 ALA A 50 3.788 11.536 1.704 1.00 1.10 H new ATOM 0 HB3 ALA A 50 2.378 12.239 2.532 1.00 1.10 H new ATOM 802 N ASP A 51 3.316 10.400 5.782 1.00 60.41 N ATOM 803 CA ASP A 51 2.923 10.620 7.177 1.00 13.23 C ATOM 804 C ASP A 51 3.975 11.471 7.910 1.00 74.23 C ATOM 805 O ASP A 51 5.101 11.636 7.430 1.00 1.55 O ATOM 806 CB ASP A 51 2.738 9.268 7.883 1.00 31.21 C ATOM 807 CG ASP A 51 2.303 9.411 9.332 1.00 52.55 C ATOM 808 OD1 ASP A 51 1.146 9.816 9.571 1.00 1.41 O ATOM 809 OD2 ASP A 51 3.121 9.139 10.238 1.00 24.23 O ATOM 0 H ASP A 51 4.279 10.084 5.667 1.00 60.41 H new ATOM 0 HA ASP A 51 1.978 11.162 7.195 1.00 13.23 H new ATOM 0 HB2 ASP A 51 1.996 8.680 7.343 1.00 31.21 H new ATOM 0 HB3 ASP A 51 3.675 8.712 7.844 1.00 31.21 H new ATOM 814 N ASP A 52 3.607 12.005 9.074 1.00 44.32 N ATOM 815 CA ASP A 52 4.524 12.812 9.885 1.00 33.15 C ATOM 816 C ASP A 52 5.806 12.034 10.247 1.00 42.32 C ATOM 817 O ASP A 52 6.864 12.629 10.463 1.00 2.23 O ATOM 818 CB ASP A 52 3.816 13.275 11.165 1.00 62.52 C ATOM 819 CG ASP A 52 2.602 14.140 10.870 1.00 21.00 C ATOM 820 OD1 ASP A 52 1.535 13.583 10.534 1.00 53.14 O ATOM 821 OD2 ASP A 52 2.705 15.379 10.968 1.00 44.20 O ATOM 0 H ASP A 52 2.678 11.894 9.479 1.00 44.32 H new ATOM 0 HA ASP A 52 4.818 13.678 9.292 1.00 33.15 H new ATOM 0 HB2 ASP A 52 3.507 12.404 11.743 1.00 62.52 H new ATOM 0 HB3 ASP A 52 4.517 13.835 11.783 1.00 62.52 H new ATOM 826 N THR A 53 5.707 10.704 10.302 1.00 14.35 N ATOM 827 CA THR A 53 6.856 9.850 10.653 1.00 12.53 C ATOM 828 C THR A 53 7.642 9.381 9.415 1.00 70.23 C ATOM 829 O THR A 53 8.630 8.651 9.540 1.00 33.20 O ATOM 830 CB THR A 53 6.417 8.600 11.459 1.00 35.05 C ATOM 831 OG1 THR A 53 5.630 7.718 10.642 1.00 61.23 O ATOM 832 CG2 THR A 53 5.616 8.996 12.695 1.00 2.30 C ATOM 0 H THR A 53 4.847 10.191 10.109 1.00 14.35 H new ATOM 0 HA THR A 53 7.505 10.474 11.267 1.00 12.53 H new ATOM 0 HB THR A 53 7.322 8.082 11.777 1.00 35.05 H new ATOM 0 HG1 THR A 53 4.759 8.130 10.461 1.00 61.23 H new ATOM 0 HG21 THR A 53 5.322 8.099 13.240 1.00 2.30 H new ATOM 0 HG22 THR A 53 6.228 9.628 13.339 1.00 2.30 H new ATOM 0 HG23 THR A 53 4.725 9.544 12.391 1.00 2.30 H new ATOM 840 N GLY A 54 7.213 9.793 8.223 1.00 33.43 N ATOM 841 CA GLY A 54 7.909 9.382 7.004 1.00 33.03 C ATOM 842 C GLY A 54 6.974 9.019 5.851 1.00 35.20 C ATOM 843 O GLY A 54 5.764 8.889 6.035 1.00 62.31 O ATOM 0 H GLY A 54 6.405 10.398 8.075 1.00 33.43 H new ATOM 0 HA2 GLY A 54 8.569 10.189 6.684 1.00 33.03 H new ATOM 0 HA3 GLY A 54 8.542 8.524 7.230 1.00 33.03 H new ATOM 847 N GLU A 55 7.540 8.872 4.654 1.00 31.31 N ATOM 848 CA GLU A 55 6.769 8.497 3.463 1.00 70.31 C ATOM 849 C GLU A 55 6.991 7.012 3.120 1.00 13.11 C ATOM 850 O GLU A 55 8.066 6.462 3.366 1.00 45.31 O ATOM 851 CB GLU A 55 7.175 9.362 2.257 1.00 44.43 C ATOM 852 CG GLU A 55 7.582 10.796 2.607 1.00 21.23 C ATOM 853 CD GLU A 55 9.093 10.961 2.754 1.00 43.33 C ATOM 854 OE1 GLU A 55 9.670 10.441 3.733 1.00 61.21 O ATOM 855 OE2 GLU A 55 9.712 11.608 1.882 1.00 51.32 O ATOM 0 H GLU A 55 8.536 9.007 4.480 1.00 31.31 H new ATOM 0 HA GLU A 55 5.714 8.662 3.683 1.00 70.31 H new ATOM 0 HB2 GLU A 55 8.006 8.878 1.743 1.00 44.43 H new ATOM 0 HB3 GLU A 55 6.342 9.396 1.555 1.00 44.43 H new ATOM 0 HG2 GLU A 55 7.221 11.471 1.831 1.00 21.23 H new ATOM 0 HG3 GLU A 55 7.096 11.090 3.537 1.00 21.23 H new ATOM 862 N LEU A 56 5.982 6.375 2.529 1.00 22.20 N ATOM 863 CA LEU A 56 6.052 4.941 2.220 1.00 71.32 C ATOM 864 C LEU A 56 5.450 4.631 0.838 1.00 53.34 C ATOM 865 O LEU A 56 4.415 5.186 0.461 1.00 33.40 O ATOM 866 CB LEU A 56 5.302 4.148 3.302 1.00 12.44 C ATOM 867 CG LEU A 56 5.483 2.621 3.258 1.00 11.35 C ATOM 868 CD1 LEU A 56 6.902 2.240 3.659 1.00 53.35 C ATOM 869 CD2 LEU A 56 4.465 1.921 4.156 1.00 71.43 C ATOM 0 H LEU A 56 5.108 6.823 2.254 1.00 22.20 H new ATOM 0 HA LEU A 56 7.102 4.648 2.201 1.00 71.32 H new ATOM 0 HB2 LEU A 56 5.627 4.506 4.279 1.00 12.44 H new ATOM 0 HB3 LEU A 56 4.238 4.372 3.218 1.00 12.44 H new ATOM 0 HG LEU A 56 5.311 2.290 2.234 1.00 11.35 H new ATOM 0 HD11 LEU A 56 7.012 1.156 3.622 1.00 53.35 H new ATOM 0 HD12 LEU A 56 7.611 2.700 2.970 1.00 53.35 H new ATOM 0 HD13 LEU A 56 7.100 2.591 4.672 1.00 53.35 H new ATOM 0 HD21 LEU A 56 4.616 0.843 4.106 1.00 71.43 H new ATOM 0 HD22 LEU A 56 4.595 2.258 5.184 1.00 71.43 H new ATOM 0 HD23 LEU A 56 3.457 2.162 3.820 1.00 71.43 H new ATOM 881 N ARG A 57 6.112 3.760 0.075 1.00 3.14 N ATOM 882 CA ARG A 57 5.542 3.256 -1.184 1.00 51.40 C ATOM 883 C ARG A 57 4.818 1.918 -0.955 1.00 60.15 C ATOM 884 O ARG A 57 5.449 0.889 -0.710 1.00 0.11 O ATOM 885 CB ARG A 57 6.632 3.088 -2.259 1.00 73.45 C ATOM 886 CG ARG A 57 6.086 2.583 -3.597 1.00 12.12 C ATOM 887 CD ARG A 57 7.144 2.570 -4.701 1.00 53.52 C ATOM 888 NE ARG A 57 8.202 1.585 -4.464 1.00 53.11 N ATOM 889 CZ ARG A 57 8.961 1.084 -5.408 1.00 40.34 C ATOM 890 NH1 ARG A 57 8.787 1.423 -6.647 1.00 13.12 N ATOM 891 NH2 ARG A 57 9.886 0.233 -5.119 1.00 0.42 N ATOM 0 H ARG A 57 7.035 3.389 0.300 1.00 3.14 H new ATOM 0 HA ARG A 57 4.820 3.991 -1.539 1.00 51.40 H new ATOM 0 HB2 ARG A 57 7.130 4.045 -2.415 1.00 73.45 H new ATOM 0 HB3 ARG A 57 7.387 2.391 -1.896 1.00 73.45 H new ATOM 0 HG2 ARG A 57 5.691 1.575 -3.466 1.00 12.12 H new ATOM 0 HG3 ARG A 57 5.253 3.214 -3.906 1.00 12.12 H new ATOM 0 HD2 ARG A 57 6.663 2.357 -5.656 1.00 53.52 H new ATOM 0 HD3 ARG A 57 7.589 3.562 -4.783 1.00 53.52 H new ATOM 0 HE ARG A 57 8.358 1.270 -3.506 1.00 53.11 H new ATOM 0 HH11 ARG A 57 8.053 2.086 -6.896 1.00 13.12 H new ATOM 0 HH12 ARG A 57 9.384 1.026 -7.373 1.00 13.12 H new ATOM 0 HH21 ARG A 57 10.030 -0.054 -4.151 1.00 0.42 H new ATOM 0 HH22 ARG A 57 10.473 -0.153 -5.858 1.00 0.42 H new ATOM 905 N ALA A 58 3.492 1.944 -1.025 1.00 52.42 N ATOM 906 CA ALA A 58 2.681 0.741 -0.817 1.00 62.34 C ATOM 907 C ALA A 58 2.373 0.028 -2.143 1.00 3.44 C ATOM 908 O ALA A 58 1.843 0.634 -3.075 1.00 61.13 O ATOM 909 CB ALA A 58 1.389 1.103 -0.098 1.00 55.23 C ATOM 0 H ALA A 58 2.951 2.785 -1.224 1.00 52.42 H new ATOM 0 HA ALA A 58 3.256 0.051 -0.199 1.00 62.34 H new ATOM 0 HB1 ALA A 58 0.792 0.203 0.053 1.00 55.23 H new ATOM 0 HB2 ALA A 58 1.623 1.549 0.869 1.00 55.23 H new ATOM 0 HB3 ALA A 58 0.825 1.816 -0.700 1.00 55.23 H new ATOM 915 N VAL A 59 2.708 -1.257 -2.219 1.00 61.21 N ATOM 916 CA VAL A 59 2.478 -2.056 -3.428 1.00 61.14 C ATOM 917 C VAL A 59 1.192 -2.892 -3.317 1.00 45.40 C ATOM 918 O VAL A 59 1.119 -3.852 -2.541 1.00 35.02 O ATOM 919 CB VAL A 59 3.677 -2.996 -3.719 1.00 30.24 C ATOM 920 CG1 VAL A 59 3.447 -3.794 -5.005 1.00 51.51 C ATOM 921 CG2 VAL A 59 4.977 -2.194 -3.801 1.00 5.24 C ATOM 0 H VAL A 59 3.143 -1.774 -1.454 1.00 61.21 H new ATOM 0 HA VAL A 59 2.369 -1.352 -4.253 1.00 61.14 H new ATOM 0 HB VAL A 59 3.763 -3.706 -2.896 1.00 30.24 H new ATOM 0 HG11 VAL A 59 4.302 -4.445 -5.187 1.00 51.51 H new ATOM 0 HG12 VAL A 59 2.546 -4.398 -4.902 1.00 51.51 H new ATOM 0 HG13 VAL A 59 3.329 -3.107 -5.843 1.00 51.51 H new ATOM 0 HG21 VAL A 59 5.808 -2.869 -4.006 1.00 5.24 H new ATOM 0 HG22 VAL A 59 4.901 -1.458 -4.602 1.00 5.24 H new ATOM 0 HG23 VAL A 59 5.149 -1.683 -2.854 1.00 5.24 H new ATOM 931 N PHE A 60 0.184 -2.523 -4.103 1.00 71.52 N ATOM 932 CA PHE A 60 -1.090 -3.245 -4.136 1.00 51.22 C ATOM 933 C PHE A 60 -1.074 -4.326 -5.226 1.00 22.22 C ATOM 934 O PHE A 60 -1.162 -4.026 -6.416 1.00 51.53 O ATOM 935 CB PHE A 60 -2.250 -2.267 -4.395 1.00 10.13 C ATOM 936 CG PHE A 60 -2.554 -1.344 -3.237 1.00 44.25 C ATOM 937 CD1 PHE A 60 -1.596 -0.462 -2.755 1.00 30.40 C ATOM 938 CD2 PHE A 60 -3.807 -1.354 -2.637 1.00 61.14 C ATOM 939 CE1 PHE A 60 -1.879 0.384 -1.699 1.00 43.52 C ATOM 940 CE2 PHE A 60 -4.095 -0.510 -1.581 1.00 51.14 C ATOM 941 CZ PHE A 60 -3.130 0.361 -1.111 1.00 23.43 C ATOM 0 H PHE A 60 0.224 -1.721 -4.732 1.00 71.52 H new ATOM 0 HA PHE A 60 -1.233 -3.725 -3.168 1.00 51.22 H new ATOM 0 HB2 PHE A 60 -2.013 -1.665 -5.272 1.00 10.13 H new ATOM 0 HB3 PHE A 60 -3.146 -2.839 -4.634 1.00 10.13 H new ATOM 0 HD1 PHE A 60 -0.617 -0.437 -3.211 1.00 30.40 H new ATOM 0 HD2 PHE A 60 -4.566 -2.030 -3.001 1.00 61.14 H new ATOM 0 HE1 PHE A 60 -1.123 1.063 -1.333 1.00 43.52 H new ATOM 0 HE2 PHE A 60 -5.073 -0.531 -1.124 1.00 51.14 H new ATOM 0 HZ PHE A 60 -3.353 1.022 -0.286 1.00 23.43 H new ATOM 951 N TRP A 61 -0.944 -5.577 -4.807 1.00 32.20 N ATOM 952 CA TRP A 61 -0.939 -6.717 -5.725 1.00 33.14 C ATOM 953 C TRP A 61 -2.347 -7.016 -6.272 1.00 62.20 C ATOM 954 O TRP A 61 -3.345 -6.555 -5.722 1.00 32.54 O ATOM 955 CB TRP A 61 -0.334 -7.948 -5.037 1.00 32.31 C ATOM 956 CG TRP A 61 1.136 -7.793 -4.768 1.00 73.15 C ATOM 957 CD1 TRP A 61 1.730 -7.357 -3.616 1.00 3.03 C ATOM 958 CD2 TRP A 61 2.201 -8.051 -5.693 1.00 12.25 C ATOM 959 NE1 TRP A 61 3.096 -7.340 -3.768 1.00 14.02 N ATOM 960 CE2 TRP A 61 3.409 -7.759 -5.034 1.00 44.42 C ATOM 961 CE3 TRP A 61 2.250 -8.504 -7.015 1.00 50.41 C ATOM 962 CZ2 TRP A 61 4.649 -7.907 -5.648 1.00 12.21 C ATOM 963 CZ3 TRP A 61 3.482 -8.649 -7.625 1.00 62.13 C ATOM 964 CH2 TRP A 61 4.666 -8.350 -6.942 1.00 42.43 C ATOM 0 H TRP A 61 -0.839 -5.834 -3.826 1.00 32.20 H new ATOM 0 HA TRP A 61 -0.316 -6.458 -6.582 1.00 33.14 H new ATOM 0 HB2 TRP A 61 -0.855 -8.127 -4.097 1.00 32.31 H new ATOM 0 HB3 TRP A 61 -0.495 -8.826 -5.663 1.00 32.31 H new ATOM 0 HD1 TRP A 61 1.203 -7.068 -2.718 1.00 3.03 H new ATOM 0 HE1 TRP A 61 3.768 -7.061 -3.053 1.00 14.02 H new ATOM 0 HE3 TRP A 61 1.341 -8.737 -7.550 1.00 50.41 H new ATOM 0 HZ2 TRP A 61 5.565 -7.680 -5.122 1.00 12.21 H new ATOM 0 HZ3 TRP A 61 3.531 -8.999 -8.646 1.00 62.13 H new ATOM 0 HH2 TRP A 61 5.613 -8.472 -7.447 1.00 42.43 H new ATOM 975 N THR A 62 -2.404 -7.767 -7.376 1.00 75.53 N ATOM 976 CA THR A 62 -3.660 -8.050 -8.109 1.00 4.40 C ATOM 977 C THR A 62 -4.882 -8.283 -7.203 1.00 60.25 C ATOM 978 O THR A 62 -5.991 -7.874 -7.543 1.00 25.34 O ATOM 979 CB THR A 62 -3.500 -9.278 -9.039 1.00 2.52 C ATOM 980 OG1 THR A 62 -4.716 -9.529 -9.763 1.00 23.43 O ATOM 981 CG2 THR A 62 -3.102 -10.527 -8.253 1.00 43.24 C ATOM 0 H THR A 62 -1.582 -8.201 -7.795 1.00 75.53 H new ATOM 0 HA THR A 62 -3.848 -7.146 -8.688 1.00 4.40 H new ATOM 0 HB THR A 62 -2.703 -9.048 -9.746 1.00 2.52 H new ATOM 0 HG1 THR A 62 -4.595 -10.307 -10.346 1.00 23.43 H new ATOM 0 HG21 THR A 62 -2.998 -11.370 -8.937 1.00 43.24 H new ATOM 0 HG22 THR A 62 -2.153 -10.351 -7.747 1.00 43.24 H new ATOM 0 HG23 THR A 62 -3.871 -10.752 -7.514 1.00 43.24 H new ATOM 989 N GLU A 63 -4.686 -8.936 -6.065 1.00 14.53 N ATOM 990 CA GLU A 63 -5.788 -9.186 -5.130 1.00 43.13 C ATOM 991 C GLU A 63 -6.263 -7.883 -4.458 1.00 0.01 C ATOM 992 O GLU A 63 -7.462 -7.655 -4.289 1.00 75.14 O ATOM 993 CB GLU A 63 -5.352 -10.193 -4.057 1.00 0.10 C ATOM 994 CG GLU A 63 -4.891 -11.547 -4.604 1.00 62.14 C ATOM 995 CD GLU A 63 -5.994 -12.360 -5.280 1.00 40.35 C ATOM 996 OE1 GLU A 63 -7.193 -12.142 -4.979 1.00 63.33 O ATOM 997 OE2 GLU A 63 -5.660 -13.240 -6.105 1.00 11.22 O ATOM 0 H GLU A 63 -3.783 -9.302 -5.764 1.00 14.53 H new ATOM 0 HA GLU A 63 -6.621 -9.598 -5.700 1.00 43.13 H new ATOM 0 HB2 GLU A 63 -4.541 -9.756 -3.475 1.00 0.10 H new ATOM 0 HB3 GLU A 63 -6.184 -10.357 -3.372 1.00 0.10 H new ATOM 0 HG2 GLU A 63 -4.087 -11.381 -5.321 1.00 62.14 H new ATOM 0 HG3 GLU A 63 -4.473 -12.133 -3.786 1.00 62.14 H new ATOM 1004 N ASN A 64 -5.310 -7.027 -4.089 1.00 2.42 N ATOM 1005 CA ASN A 64 -5.605 -5.777 -3.370 1.00 43.21 C ATOM 1006 C ASN A 64 -6.041 -4.637 -4.305 1.00 63.41 C ATOM 1007 O ASN A 64 -6.504 -3.597 -3.839 1.00 44.45 O ATOM 1008 CB ASN A 64 -4.380 -5.337 -2.569 1.00 62.43 C ATOM 1009 CG ASN A 64 -3.884 -6.430 -1.648 1.00 13.52 C ATOM 1010 OD1 ASN A 64 -3.038 -7.234 -2.019 1.00 74.52 O ATOM 1011 ND2 ASN A 64 -4.413 -6.474 -0.444 1.00 70.32 N ATOM 0 H ASN A 64 -4.318 -7.174 -4.276 1.00 2.42 H new ATOM 0 HA ASN A 64 -6.441 -5.987 -2.703 1.00 43.21 H new ATOM 0 HB2 ASN A 64 -3.582 -5.050 -3.254 1.00 62.43 H new ATOM 0 HB3 ASN A 64 -4.629 -4.453 -1.982 1.00 62.43 H new ATOM 0 HD21 ASN A 64 -4.121 -7.195 0.216 1.00 70.32 H new ATOM 0 HD22 ASN A 64 -5.116 -5.787 -0.170 1.00 70.32 H new ATOM 1018 N ILE A 65 -5.886 -4.826 -5.616 1.00 62.54 N ATOM 1019 CA ILE A 65 -6.308 -3.813 -6.601 1.00 11.32 C ATOM 1020 C ILE A 65 -7.773 -3.390 -6.380 1.00 31.03 C ATOM 1021 O ILE A 65 -8.131 -2.222 -6.549 1.00 4.24 O ATOM 1022 CB ILE A 65 -6.137 -4.336 -8.053 1.00 35.12 C ATOM 1023 CG1 ILE A 65 -4.659 -4.645 -8.346 1.00 53.42 C ATOM 1024 CG2 ILE A 65 -6.685 -3.333 -9.071 1.00 12.24 C ATOM 1025 CD1 ILE A 65 -3.745 -3.437 -8.263 1.00 31.01 C ATOM 0 H ILE A 65 -5.474 -5.665 -6.025 1.00 62.54 H new ATOM 0 HA ILE A 65 -5.665 -2.944 -6.458 1.00 11.32 H new ATOM 0 HB ILE A 65 -6.711 -5.258 -8.146 1.00 35.12 H new ATOM 0 HG12 ILE A 65 -4.310 -5.400 -7.641 1.00 53.42 H new ATOM 0 HG13 ILE A 65 -4.580 -5.079 -9.343 1.00 53.42 H new ATOM 0 HG21 ILE A 65 -6.551 -3.727 -10.078 1.00 12.24 H new ATOM 0 HG22 ILE A 65 -7.746 -3.168 -8.884 1.00 12.24 H new ATOM 0 HG23 ILE A 65 -6.149 -2.389 -8.977 1.00 12.24 H new ATOM 0 HD11 ILE A 65 -2.721 -3.740 -8.483 1.00 31.01 H new ATOM 0 HD12 ILE A 65 -4.065 -2.688 -8.987 1.00 31.01 H new ATOM 0 HD13 ILE A 65 -3.791 -3.014 -7.259 1.00 31.01 H new ATOM 1037 N LYS A 66 -8.605 -4.345 -5.968 1.00 64.33 N ATOM 1038 CA LYS A 66 -10.031 -4.095 -5.714 1.00 62.30 C ATOM 1039 C LYS A 66 -10.252 -3.050 -4.598 1.00 71.42 C ATOM 1040 O LYS A 66 -11.304 -2.413 -4.533 1.00 43.13 O ATOM 1041 CB LYS A 66 -10.727 -5.413 -5.344 1.00 53.22 C ATOM 1042 CG LYS A 66 -10.216 -6.037 -4.048 1.00 34.22 C ATOM 1043 CD LYS A 66 -10.818 -7.419 -3.807 1.00 61.43 C ATOM 1044 CE LYS A 66 -10.397 -7.999 -2.461 1.00 41.34 C ATOM 1045 NZ LYS A 66 -10.897 -9.385 -2.269 1.00 3.54 N ATOM 0 H LYS A 66 -8.317 -5.309 -5.800 1.00 64.33 H new ATOM 0 HA LYS A 66 -10.463 -3.688 -6.628 1.00 62.30 H new ATOM 0 HB2 LYS A 66 -11.798 -5.234 -5.252 1.00 53.22 H new ATOM 0 HB3 LYS A 66 -10.591 -6.126 -6.158 1.00 53.22 H new ATOM 0 HG2 LYS A 66 -9.130 -6.116 -4.086 1.00 34.22 H new ATOM 0 HG3 LYS A 66 -10.459 -5.384 -3.210 1.00 34.22 H new ATOM 0 HD2 LYS A 66 -11.905 -7.353 -3.849 1.00 61.43 H new ATOM 0 HD3 LYS A 66 -10.508 -8.094 -4.605 1.00 61.43 H new ATOM 0 HE2 LYS A 66 -9.309 -7.993 -2.388 1.00 41.34 H new ATOM 0 HE3 LYS A 66 -10.774 -7.364 -1.659 1.00 41.34 H new ATOM 0 HZ1 LYS A 66 -10.588 -9.740 -1.342 1.00 3.54 H new ATOM 0 HZ2 LYS A 66 -11.936 -9.388 -2.312 1.00 3.54 H new ATOM 0 HZ3 LYS A 66 -10.517 -9.998 -3.019 1.00 3.54 H new ATOM 1059 N LEU A 67 -9.256 -2.874 -3.731 1.00 51.02 N ATOM 1060 CA LEU A 67 -9.358 -1.942 -2.597 1.00 44.32 C ATOM 1061 C LEU A 67 -9.209 -0.473 -3.034 1.00 2.41 C ATOM 1062 O LEU A 67 -9.671 0.439 -2.346 1.00 74.31 O ATOM 1063 CB LEU A 67 -8.288 -2.279 -1.550 1.00 11.14 C ATOM 1064 CG LEU A 67 -8.377 -3.690 -0.943 1.00 22.33 C ATOM 1065 CD1 LEU A 67 -7.205 -3.945 0.001 1.00 72.33 C ATOM 1066 CD2 LEU A 67 -9.708 -3.882 -0.220 1.00 21.44 C ATOM 0 H LEU A 67 -8.364 -3.365 -3.788 1.00 51.02 H new ATOM 0 HA LEU A 67 -10.353 -2.058 -2.168 1.00 44.32 H new ATOM 0 HB2 LEU A 67 -7.306 -2.161 -2.008 1.00 11.14 H new ATOM 0 HB3 LEU A 67 -8.353 -1.550 -0.742 1.00 11.14 H new ATOM 0 HG LEU A 67 -8.323 -4.416 -1.754 1.00 22.33 H new ATOM 0 HD11 LEU A 67 -7.287 -4.948 0.420 1.00 72.33 H new ATOM 0 HD12 LEU A 67 -6.268 -3.857 -0.550 1.00 72.33 H new ATOM 0 HD13 LEU A 67 -7.222 -3.213 0.808 1.00 72.33 H new ATOM 0 HD21 LEU A 67 -9.751 -4.886 0.202 1.00 21.44 H new ATOM 0 HD22 LEU A 67 -9.796 -3.148 0.581 1.00 21.44 H new ATOM 0 HD23 LEU A 67 -10.528 -3.750 -0.926 1.00 21.44 H new ATOM 1078 N LEU A 68 -8.574 -0.253 -4.184 1.00 43.13 N ATOM 1079 CA LEU A 68 -8.290 1.105 -4.676 1.00 3.30 C ATOM 1080 C LEU A 68 -9.569 1.935 -4.913 1.00 23.42 C ATOM 1081 O LEU A 68 -9.515 3.165 -4.964 1.00 0.41 O ATOM 1082 CB LEU A 68 -7.467 1.029 -5.970 1.00 61.51 C ATOM 1083 CG LEU A 68 -6.074 0.386 -5.827 1.00 31.43 C ATOM 1084 CD1 LEU A 68 -5.383 0.275 -7.185 1.00 24.11 C ATOM 1085 CD2 LEU A 68 -5.213 1.178 -4.844 1.00 1.21 C ATOM 0 H LEU A 68 -8.243 -0.997 -4.798 1.00 43.13 H new ATOM 0 HA LEU A 68 -7.720 1.614 -3.899 1.00 3.30 H new ATOM 0 HB2 LEU A 68 -8.035 0.465 -6.710 1.00 61.51 H new ATOM 0 HB3 LEU A 68 -7.345 2.038 -6.363 1.00 61.51 H new ATOM 0 HG LEU A 68 -6.204 -0.621 -5.432 1.00 31.43 H new ATOM 0 HD11 LEU A 68 -4.402 -0.182 -7.058 1.00 24.11 H new ATOM 0 HD12 LEU A 68 -5.987 -0.342 -7.851 1.00 24.11 H new ATOM 0 HD13 LEU A 68 -5.267 1.269 -7.617 1.00 24.11 H new ATOM 0 HD21 LEU A 68 -4.234 0.708 -4.757 1.00 1.21 H new ATOM 0 HD22 LEU A 68 -5.094 2.199 -5.205 1.00 1.21 H new ATOM 0 HD23 LEU A 68 -5.696 1.193 -3.867 1.00 1.21 H new ATOM 1097 N LYS A 69 -10.712 1.265 -5.056 1.00 73.51 N ATOM 1098 CA LYS A 69 -11.991 1.956 -5.284 1.00 13.20 C ATOM 1099 C LYS A 69 -12.591 2.536 -3.985 1.00 55.31 C ATOM 1100 O LYS A 69 -13.500 3.368 -4.033 1.00 21.33 O ATOM 1101 CB LYS A 69 -13.009 1.007 -5.935 1.00 61.01 C ATOM 1102 CG LYS A 69 -13.458 -0.140 -5.029 1.00 60.41 C ATOM 1103 CD LYS A 69 -14.558 -0.980 -5.676 1.00 74.13 C ATOM 1104 CE LYS A 69 -14.068 -1.704 -6.923 1.00 52.23 C ATOM 1105 NZ LYS A 69 -13.023 -2.712 -6.608 1.00 61.44 N ATOM 0 H LYS A 69 -10.784 0.248 -5.019 1.00 73.51 H new ATOM 0 HA LYS A 69 -11.778 2.789 -5.954 1.00 13.20 H new ATOM 0 HB2 LYS A 69 -13.884 1.582 -6.237 1.00 61.01 H new ATOM 0 HB3 LYS A 69 -12.573 0.590 -6.843 1.00 61.01 H new ATOM 0 HG2 LYS A 69 -12.604 -0.776 -4.798 1.00 60.41 H new ATOM 0 HG3 LYS A 69 -13.819 0.264 -4.083 1.00 60.41 H new ATOM 0 HD2 LYS A 69 -14.927 -1.710 -4.955 1.00 74.13 H new ATOM 0 HD3 LYS A 69 -15.398 -0.337 -5.938 1.00 74.13 H new ATOM 0 HE2 LYS A 69 -14.910 -2.195 -7.411 1.00 52.23 H new ATOM 0 HE3 LYS A 69 -13.669 -0.977 -7.631 1.00 52.23 H new ATOM 0 HZ1 LYS A 69 -12.229 -2.608 -7.272 1.00 61.44 H new ATOM 0 HZ2 LYS A 69 -12.682 -2.567 -5.636 1.00 61.44 H new ATOM 0 HZ3 LYS A 69 -13.425 -3.667 -6.695 1.00 61.44 H new ATOM 1119 N LYS A 70 -12.094 2.096 -2.828 1.00 75.15 N ATOM 1120 CA LYS A 70 -12.639 2.544 -1.534 1.00 25.44 C ATOM 1121 C LYS A 70 -12.369 4.038 -1.281 1.00 11.14 C ATOM 1122 O LYS A 70 -13.286 4.804 -0.973 1.00 24.34 O ATOM 1123 CB LYS A 70 -12.056 1.714 -0.378 1.00 42.25 C ATOM 1124 CG LYS A 70 -12.428 0.232 -0.417 1.00 61.44 C ATOM 1125 CD LYS A 70 -11.991 -0.497 0.857 1.00 62.11 C ATOM 1126 CE LYS A 70 -12.686 0.066 2.096 1.00 1.05 C ATOM 1127 NZ LYS A 70 -12.283 -0.635 3.346 1.00 12.23 N ATOM 0 H LYS A 70 -11.321 1.435 -2.754 1.00 75.15 H new ATOM 0 HA LYS A 70 -13.718 2.396 -1.578 1.00 25.44 H new ATOM 0 HB2 LYS A 70 -10.970 1.804 -0.393 1.00 42.25 H new ATOM 0 HB3 LYS A 70 -12.398 2.138 0.566 1.00 42.25 H new ATOM 0 HG2 LYS A 70 -13.506 0.131 -0.542 1.00 61.44 H new ATOM 0 HG3 LYS A 70 -11.961 -0.237 -1.283 1.00 61.44 H new ATOM 0 HD2 LYS A 70 -12.217 -1.559 0.764 1.00 62.11 H new ATOM 0 HD3 LYS A 70 -10.911 -0.410 0.974 1.00 62.11 H new ATOM 0 HE2 LYS A 70 -12.454 1.127 2.188 1.00 1.05 H new ATOM 0 HE3 LYS A 70 -13.766 -0.014 1.971 1.00 1.05 H new ATOM 0 HZ1 LYS A 70 -12.867 -0.297 4.137 1.00 12.23 H new ATOM 0 HZ2 LYS A 70 -12.418 -1.659 3.228 1.00 12.23 H new ATOM 0 HZ3 LYS A 70 -11.282 -0.438 3.547 1.00 12.23 H new ATOM 1141 N PHE A 71 -11.110 4.443 -1.421 1.00 15.15 N ATOM 1142 CA PHE A 71 -10.685 5.816 -1.112 1.00 45.35 C ATOM 1143 C PHE A 71 -10.351 6.610 -2.384 1.00 73.44 C ATOM 1144 O PHE A 71 -10.452 6.094 -3.499 1.00 72.44 O ATOM 1145 CB PHE A 71 -9.464 5.783 -0.182 1.00 44.14 C ATOM 1146 CG PHE A 71 -8.290 5.007 -0.744 1.00 64.22 C ATOM 1147 CD1 PHE A 71 -8.207 3.629 -0.580 1.00 14.11 C ATOM 1148 CD2 PHE A 71 -7.274 5.655 -1.436 1.00 72.12 C ATOM 1149 CE1 PHE A 71 -7.138 2.918 -1.094 1.00 3.12 C ATOM 1150 CE2 PHE A 71 -6.204 4.946 -1.951 1.00 1.05 C ATOM 1151 CZ PHE A 71 -6.135 3.577 -1.779 1.00 65.30 C ATOM 0 H PHE A 71 -10.357 3.839 -1.749 1.00 15.15 H new ATOM 0 HA PHE A 71 -11.515 6.319 -0.616 1.00 45.35 H new ATOM 0 HB2 PHE A 71 -9.147 6.806 0.023 1.00 44.14 H new ATOM 0 HB3 PHE A 71 -9.756 5.342 0.771 1.00 44.14 H new ATOM 0 HD1 PHE A 71 -8.987 3.107 -0.045 1.00 14.11 H new ATOM 0 HD2 PHE A 71 -7.320 6.725 -1.573 1.00 72.12 H new ATOM 0 HE1 PHE A 71 -7.087 1.848 -0.960 1.00 3.12 H new ATOM 0 HE2 PHE A 71 -5.422 5.463 -2.488 1.00 1.05 H new ATOM 0 HZ PHE A 71 -5.299 3.023 -2.179 1.00 65.30 H new ATOM 1161 N ARG A 72 -9.957 7.870 -2.209 1.00 15.20 N ATOM 1162 CA ARG A 72 -9.528 8.713 -3.331 1.00 64.13 C ATOM 1163 C ARG A 72 -8.081 9.190 -3.132 1.00 2.12 C ATOM 1164 O ARG A 72 -7.538 9.131 -2.024 1.00 10.04 O ATOM 1165 CB ARG A 72 -10.454 9.929 -3.476 1.00 33.40 C ATOM 1166 CG ARG A 72 -11.937 9.577 -3.508 1.00 52.43 C ATOM 1167 CD ARG A 72 -12.805 10.810 -3.738 1.00 65.02 C ATOM 1168 NE ARG A 72 -14.224 10.518 -3.555 1.00 73.24 N ATOM 1169 CZ ARG A 72 -15.157 10.806 -4.417 1.00 0.41 C ATOM 1170 NH1 ARG A 72 -14.862 11.361 -5.550 1.00 72.55 N ATOM 1171 NH2 ARG A 72 -16.390 10.529 -4.140 1.00 62.21 N ATOM 0 H ARG A 72 -9.925 8.333 -1.301 1.00 15.20 H new ATOM 0 HA ARG A 72 -9.581 8.113 -4.240 1.00 64.13 H new ATOM 0 HB2 ARG A 72 -10.271 10.613 -2.648 1.00 33.40 H new ATOM 0 HB3 ARG A 72 -10.197 10.461 -4.392 1.00 33.40 H new ATOM 0 HG2 ARG A 72 -12.121 8.850 -4.299 1.00 52.43 H new ATOM 0 HG3 ARG A 72 -12.219 9.104 -2.567 1.00 52.43 H new ATOM 0 HD2 ARG A 72 -12.505 11.599 -3.049 1.00 65.02 H new ATOM 0 HD3 ARG A 72 -12.639 11.188 -4.747 1.00 65.02 H new ATOM 0 HE ARG A 72 -14.505 10.055 -2.690 1.00 73.24 H new ATOM 0 HH11 ARG A 72 -13.891 11.577 -5.775 1.00 72.55 H new ATOM 0 HH12 ARG A 72 -15.601 11.582 -6.217 1.00 72.55 H new ATOM 0 HH21 ARG A 72 -16.626 10.088 -3.251 1.00 62.21 H new ATOM 0 HH22 ARG A 72 -17.126 10.752 -4.810 1.00 62.21 H new ATOM 1185 N GLU A 73 -7.464 9.670 -4.207 1.00 61.34 N ATOM 1186 CA GLU A 73 -6.091 10.176 -4.143 1.00 24.30 C ATOM 1187 C GLU A 73 -6.013 11.468 -3.303 1.00 14.24 C ATOM 1188 O GLU A 73 -6.130 12.584 -3.827 1.00 13.50 O ATOM 1189 CB GLU A 73 -5.552 10.415 -5.563 1.00 75.13 C ATOM 1190 CG GLU A 73 -4.077 10.807 -5.618 1.00 1.25 C ATOM 1191 CD GLU A 73 -3.583 11.019 -7.042 1.00 35.02 C ATOM 1192 OE1 GLU A 73 -3.114 10.045 -7.669 1.00 43.10 O ATOM 1193 OE2 GLU A 73 -3.674 12.155 -7.546 1.00 31.35 O ATOM 0 H GLU A 73 -7.889 9.721 -5.133 1.00 61.34 H new ATOM 0 HA GLU A 73 -5.470 9.426 -3.653 1.00 24.30 H new ATOM 0 HB2 GLU A 73 -5.697 9.509 -6.151 1.00 75.13 H new ATOM 0 HB3 GLU A 73 -6.142 11.200 -6.036 1.00 75.13 H new ATOM 0 HG2 GLU A 73 -3.926 11.722 -5.044 1.00 1.25 H new ATOM 0 HG3 GLU A 73 -3.480 10.030 -5.142 1.00 1.25 H new ATOM 1200 N GLY A 74 -5.861 11.302 -1.989 1.00 12.30 N ATOM 1201 CA GLY A 74 -5.782 12.444 -1.081 1.00 2.11 C ATOM 1202 C GLY A 74 -6.325 12.146 0.317 1.00 42.51 C ATOM 1203 O GLY A 74 -6.094 12.913 1.251 1.00 63.31 O ATOM 0 H GLY A 74 -5.791 10.393 -1.532 1.00 12.30 H new ATOM 0 HA2 GLY A 74 -4.743 12.762 -0.999 1.00 2.11 H new ATOM 0 HA3 GLY A 74 -6.338 13.278 -1.509 1.00 2.11 H new ATOM 1207 N ASP A 75 -7.054 11.036 0.467 1.00 30.01 N ATOM 1208 CA ASP A 75 -7.628 10.661 1.768 1.00 2.44 C ATOM 1209 C ASP A 75 -6.592 10.002 2.700 1.00 23.10 C ATOM 1210 O ASP A 75 -5.476 9.674 2.289 1.00 33.23 O ATOM 1211 CB ASP A 75 -8.818 9.717 1.573 1.00 25.10 C ATOM 1212 CG ASP A 75 -9.990 10.395 0.888 1.00 52.03 C ATOM 1213 OD1 ASP A 75 -10.486 11.415 1.417 1.00 73.02 O ATOM 1214 OD2 ASP A 75 -10.439 9.901 -0.166 1.00 20.41 O ATOM 0 H ASP A 75 -7.261 10.384 -0.289 1.00 30.01 H new ATOM 0 HA ASP A 75 -7.961 11.583 2.244 1.00 2.44 H new ATOM 0 HB2 ASP A 75 -8.503 8.858 0.981 1.00 25.10 H new ATOM 0 HB3 ASP A 75 -9.139 9.336 2.543 1.00 25.10 H new ATOM 1219 N VAL A 76 -6.985 9.802 3.961 1.00 14.11 N ATOM 1220 CA VAL A 76 -6.107 9.189 4.970 1.00 53.13 C ATOM 1221 C VAL A 76 -6.383 7.681 5.098 1.00 0.04 C ATOM 1222 O VAL A 76 -7.417 7.276 5.637 1.00 52.53 O ATOM 1223 CB VAL A 76 -6.302 9.846 6.362 1.00 64.41 C ATOM 1224 CG1 VAL A 76 -5.247 9.351 7.351 1.00 60.02 C ATOM 1225 CG2 VAL A 76 -6.288 11.369 6.251 1.00 73.14 C ATOM 0 H VAL A 76 -7.909 10.056 4.312 1.00 14.11 H new ATOM 0 HA VAL A 76 -5.082 9.348 4.635 1.00 53.13 H new ATOM 0 HB VAL A 76 -7.279 9.550 6.744 1.00 64.41 H new ATOM 0 HG11 VAL A 76 -5.405 9.826 8.319 1.00 60.02 H new ATOM 0 HG12 VAL A 76 -5.329 8.270 7.460 1.00 60.02 H new ATOM 0 HG13 VAL A 76 -4.254 9.604 6.980 1.00 60.02 H new ATOM 0 HG21 VAL A 76 -6.426 11.807 7.239 1.00 73.14 H new ATOM 0 HG22 VAL A 76 -5.333 11.695 5.840 1.00 73.14 H new ATOM 0 HG23 VAL A 76 -7.095 11.693 5.594 1.00 73.14 H new ATOM 1235 N ILE A 77 -5.458 6.851 4.617 1.00 10.34 N ATOM 1236 CA ILE A 77 -5.652 5.393 4.636 1.00 44.41 C ATOM 1237 C ILE A 77 -4.728 4.689 5.639 1.00 12.54 C ATOM 1238 O ILE A 77 -3.597 5.114 5.884 1.00 61.34 O ATOM 1239 CB ILE A 77 -5.428 4.761 3.237 1.00 65.12 C ATOM 1240 CG1 ILE A 77 -3.993 5.015 2.742 1.00 10.23 C ATOM 1241 CG2 ILE A 77 -6.447 5.298 2.237 1.00 41.31 C ATOM 1242 CD1 ILE A 77 -3.666 4.326 1.431 1.00 55.05 C ATOM 0 H ILE A 77 -4.573 7.155 4.212 1.00 10.34 H new ATOM 0 HA ILE A 77 -6.687 5.246 4.944 1.00 44.41 H new ATOM 0 HB ILE A 77 -5.568 3.684 3.325 1.00 65.12 H new ATOM 0 HG12 ILE A 77 -3.844 6.088 2.624 1.00 10.23 H new ATOM 0 HG13 ILE A 77 -3.291 4.677 3.504 1.00 10.23 H new ATOM 0 HG21 ILE A 77 -6.274 4.843 1.262 1.00 41.31 H new ATOM 0 HG22 ILE A 77 -7.454 5.055 2.577 1.00 41.31 H new ATOM 0 HG23 ILE A 77 -6.343 6.380 2.157 1.00 41.31 H new ATOM 0 HD11 ILE A 77 -2.638 4.552 1.148 1.00 55.05 H new ATOM 0 HD12 ILE A 77 -3.781 3.248 1.548 1.00 55.05 H new ATOM 0 HD13 ILE A 77 -4.343 4.681 0.654 1.00 55.05 H new ATOM 1254 N ARG A 78 -5.232 3.611 6.225 1.00 13.23 N ATOM 1255 CA ARG A 78 -4.423 2.719 7.051 1.00 32.34 C ATOM 1256 C ARG A 78 -4.378 1.326 6.409 1.00 44.34 C ATOM 1257 O ARG A 78 -5.388 0.624 6.344 1.00 44.14 O ATOM 1258 CB ARG A 78 -5.005 2.653 8.472 1.00 43.11 C ATOM 1259 CG ARG A 78 -4.371 1.598 9.376 1.00 2.40 C ATOM 1260 CD ARG A 78 -4.909 1.692 10.801 1.00 74.33 C ATOM 1261 NE ARG A 78 -4.503 0.552 11.622 1.00 74.32 N ATOM 1262 CZ ARG A 78 -3.944 0.654 12.802 1.00 23.13 C ATOM 1263 NH1 ARG A 78 -3.651 1.816 13.301 1.00 2.51 N ATOM 1264 NH2 ARG A 78 -3.674 -0.412 13.481 1.00 74.12 N ATOM 0 H ARG A 78 -6.209 3.329 6.143 1.00 13.23 H new ATOM 0 HA ARG A 78 -3.405 3.102 7.118 1.00 32.34 H new ATOM 0 HB2 ARG A 78 -4.891 3.630 8.942 1.00 43.11 H new ATOM 0 HB3 ARG A 78 -6.075 2.456 8.402 1.00 43.11 H new ATOM 0 HG2 ARG A 78 -4.571 0.605 8.974 1.00 2.40 H new ATOM 0 HG3 ARG A 78 -3.289 1.726 9.385 1.00 2.40 H new ATOM 0 HD2 ARG A 78 -4.554 2.614 11.261 1.00 74.33 H new ATOM 0 HD3 ARG A 78 -5.997 1.748 10.774 1.00 74.33 H new ATOM 0 HE ARG A 78 -4.666 -0.384 11.251 1.00 74.32 H new ATOM 0 HH11 ARG A 78 -3.856 2.664 12.773 1.00 2.51 H new ATOM 0 HH12 ARG A 78 -3.216 1.881 14.221 1.00 2.51 H new ATOM 0 HH21 ARG A 78 -3.896 -1.331 13.098 1.00 74.12 H new ATOM 0 HH22 ARG A 78 -3.239 -0.335 14.400 1.00 74.12 H new ATOM 1278 N ILE A 79 -3.206 0.943 5.917 1.00 44.25 N ATOM 1279 CA ILE A 79 -3.036 -0.341 5.230 1.00 23.52 C ATOM 1280 C ILE A 79 -2.701 -1.440 6.245 1.00 42.31 C ATOM 1281 O ILE A 79 -1.686 -1.376 6.935 1.00 74.13 O ATOM 1282 CB ILE A 79 -1.929 -0.247 4.152 1.00 10.33 C ATOM 1283 CG1 ILE A 79 -2.227 0.923 3.198 1.00 25.11 C ATOM 1284 CG2 ILE A 79 -1.820 -1.560 3.381 1.00 53.40 C ATOM 1285 CD1 ILE A 79 -1.155 1.159 2.154 1.00 71.23 C ATOM 0 H ILE A 79 -2.355 1.501 5.979 1.00 44.25 H new ATOM 0 HA ILE A 79 -3.973 -0.593 4.733 1.00 23.52 H new ATOM 0 HB ILE A 79 -0.973 -0.064 4.642 1.00 10.33 H new ATOM 0 HG12 ILE A 79 -3.175 0.734 2.694 1.00 25.11 H new ATOM 0 HG13 ILE A 79 -2.354 1.833 3.785 1.00 25.11 H new ATOM 0 HG21 ILE A 79 -1.037 -1.476 2.627 1.00 53.40 H new ATOM 0 HG22 ILE A 79 -1.574 -2.368 4.071 1.00 53.40 H new ATOM 0 HG23 ILE A 79 -2.771 -1.776 2.894 1.00 53.40 H new ATOM 0 HD11 ILE A 79 -1.441 2.000 1.522 1.00 71.23 H new ATOM 0 HD12 ILE A 79 -0.209 1.381 2.648 1.00 71.23 H new ATOM 0 HD13 ILE A 79 -1.042 0.266 1.540 1.00 71.23 H new ATOM 1297 N LYS A 80 -3.552 -2.454 6.325 1.00 10.00 N ATOM 1298 CA LYS A 80 -3.529 -3.379 7.458 1.00 3.31 C ATOM 1299 C LYS A 80 -2.723 -4.662 7.176 1.00 33.41 C ATOM 1300 O LYS A 80 -3.013 -5.400 6.232 1.00 50.21 O ATOM 1301 CB LYS A 80 -4.971 -3.718 7.843 1.00 1.34 C ATOM 1302 CG LYS A 80 -5.116 -4.327 9.232 1.00 3.21 C ATOM 1303 CD LYS A 80 -6.575 -4.291 9.703 1.00 45.34 C ATOM 1304 CE LYS A 80 -6.686 -4.033 11.203 1.00 2.22 C ATOM 1305 NZ LYS A 80 -8.007 -3.456 11.566 1.00 34.12 N ATOM 0 H LYS A 80 -4.265 -2.659 5.625 1.00 10.00 H new ATOM 0 HA LYS A 80 -3.019 -2.885 8.285 1.00 3.31 H new ATOM 0 HB2 LYS A 80 -5.573 -2.811 7.791 1.00 1.34 H new ATOM 0 HB3 LYS A 80 -5.378 -4.413 7.109 1.00 1.34 H new ATOM 0 HG2 LYS A 80 -4.760 -5.357 9.219 1.00 3.21 H new ATOM 0 HG3 LYS A 80 -4.489 -3.782 9.938 1.00 3.21 H new ATOM 0 HD2 LYS A 80 -7.112 -3.513 9.161 1.00 45.34 H new ATOM 0 HD3 LYS A 80 -7.057 -5.238 9.462 1.00 45.34 H new ATOM 0 HE2 LYS A 80 -6.536 -4.967 11.745 1.00 2.22 H new ATOM 0 HE3 LYS A 80 -5.894 -3.352 11.515 1.00 2.22 H new ATOM 0 HZ1 LYS A 80 -7.876 -2.709 12.277 1.00 34.12 H new ATOM 0 HZ2 LYS A 80 -8.454 -3.053 10.718 1.00 34.12 H new ATOM 0 HZ3 LYS A 80 -8.616 -4.203 11.957 1.00 34.12 H new ATOM 1319 N ASP A 81 -1.714 -4.904 8.023 1.00 11.43 N ATOM 1320 CA ASP A 81 -0.875 -6.110 7.976 1.00 22.45 C ATOM 1321 C ASP A 81 -0.165 -6.297 6.620 1.00 31.42 C ATOM 1322 O ASP A 81 -0.675 -6.970 5.720 1.00 72.24 O ATOM 1323 CB ASP A 81 -1.702 -7.351 8.326 1.00 11.13 C ATOM 1324 CG ASP A 81 -2.362 -7.229 9.686 1.00 42.12 C ATOM 1325 OD1 ASP A 81 -1.637 -7.095 10.693 1.00 3.43 O ATOM 1326 OD2 ASP A 81 -3.608 -7.253 9.753 1.00 43.23 O ATOM 0 H ASP A 81 -1.454 -4.260 8.770 1.00 11.43 H new ATOM 0 HA ASP A 81 -0.091 -5.976 8.722 1.00 22.45 H new ATOM 0 HB2 ASP A 81 -2.467 -7.504 7.564 1.00 11.13 H new ATOM 0 HB3 ASP A 81 -1.059 -8.231 8.313 1.00 11.13 H new ATOM 1331 N VAL A 82 1.020 -5.696 6.486 1.00 14.00 N ATOM 1332 CA VAL A 82 1.823 -5.805 5.257 1.00 35.03 C ATOM 1333 C VAL A 82 3.292 -6.140 5.563 1.00 65.10 C ATOM 1334 O VAL A 82 3.730 -6.070 6.714 1.00 73.32 O ATOM 1335 CB VAL A 82 1.767 -4.498 4.425 1.00 72.33 C ATOM 1336 CG1 VAL A 82 0.365 -4.269 3.871 1.00 34.53 C ATOM 1337 CG2 VAL A 82 2.220 -3.303 5.264 1.00 53.33 C ATOM 0 H VAL A 82 1.449 -5.126 7.215 1.00 14.00 H new ATOM 0 HA VAL A 82 1.388 -6.619 4.678 1.00 35.03 H new ATOM 0 HB VAL A 82 2.451 -4.602 3.583 1.00 72.33 H new ATOM 0 HG11 VAL A 82 0.349 -3.346 3.291 1.00 34.53 H new ATOM 0 HG12 VAL A 82 0.086 -5.105 3.230 1.00 34.53 H new ATOM 0 HG13 VAL A 82 -0.344 -4.191 4.695 1.00 34.53 H new ATOM 0 HG21 VAL A 82 2.173 -2.396 4.661 1.00 53.33 H new ATOM 0 HG22 VAL A 82 1.566 -3.197 6.130 1.00 53.33 H new ATOM 0 HG23 VAL A 82 3.244 -3.462 5.601 1.00 53.33 H new ATOM 1347 N ASN A 83 4.049 -6.508 4.526 1.00 15.34 N ATOM 1348 CA ASN A 83 5.477 -6.837 4.677 1.00 14.44 C ATOM 1349 C ASN A 83 6.381 -5.693 4.186 1.00 24.22 C ATOM 1350 O ASN A 83 6.265 -5.239 3.043 1.00 23.22 O ATOM 1351 CB ASN A 83 5.818 -8.125 3.916 1.00 12.41 C ATOM 1352 CG ASN A 83 5.126 -9.356 4.477 1.00 45.44 C ATOM 1353 OD1 ASN A 83 4.891 -9.382 5.775 1.00 55.33 O flip ATOM 1354 ND2 ASN A 83 4.822 -10.293 3.747 1.00 13.41 N flip ATOM 0 H ASN A 83 3.701 -6.587 3.571 1.00 15.34 H new ATOM 0 HA ASN A 83 5.662 -6.985 5.741 1.00 14.44 H new ATOM 0 HB2 ASN A 83 5.539 -8.005 2.869 1.00 12.41 H new ATOM 0 HB3 ASN A 83 6.897 -8.279 3.942 1.00 12.41 H new ATOM 0 HD21 ASN A 83 5.016 -10.244 2.747 1.00 13.41 H new ATOM 0 HD22 ASN A 83 4.375 -11.121 4.140 1.00 13.41 H new ATOM 1361 N ILE A 84 7.291 -5.245 5.048 1.00 2.23 N ATOM 1362 CA ILE A 84 8.205 -4.142 4.722 1.00 45.32 C ATOM 1363 C ILE A 84 9.470 -4.652 4.006 1.00 43.54 C ATOM 1364 O ILE A 84 10.186 -5.505 4.528 1.00 13.40 O ATOM 1365 CB ILE A 84 8.625 -3.372 6.001 1.00 71.12 C ATOM 1366 CG1 ILE A 84 7.388 -2.999 6.836 1.00 12.13 C ATOM 1367 CG2 ILE A 84 9.437 -2.123 5.643 1.00 71.42 C ATOM 1368 CD1 ILE A 84 6.384 -2.136 6.102 1.00 43.22 C ATOM 0 H ILE A 84 7.419 -5.629 5.984 1.00 2.23 H new ATOM 0 HA ILE A 84 7.666 -3.470 4.054 1.00 45.32 H new ATOM 0 HB ILE A 84 9.259 -4.025 6.601 1.00 71.12 H new ATOM 0 HG12 ILE A 84 6.894 -3.914 7.163 1.00 12.13 H new ATOM 0 HG13 ILE A 84 7.714 -2.474 7.734 1.00 12.13 H new ATOM 0 HG21 ILE A 84 9.720 -1.599 6.556 1.00 71.42 H new ATOM 0 HG22 ILE A 84 10.335 -2.416 5.099 1.00 71.42 H new ATOM 0 HG23 ILE A 84 8.834 -1.464 5.019 1.00 71.42 H new ATOM 0 HD11 ILE A 84 5.542 -1.918 6.759 1.00 43.22 H new ATOM 0 HD12 ILE A 84 6.859 -1.203 5.799 1.00 43.22 H new ATOM 0 HD13 ILE A 84 6.027 -2.665 5.219 1.00 43.22 H new ATOM 1380 N ARG A 85 9.745 -4.124 2.813 1.00 44.44 N ATOM 1381 CA ARG A 85 10.948 -4.507 2.055 1.00 43.43 C ATOM 1382 C ARG A 85 12.159 -3.639 2.442 1.00 20.42 C ATOM 1383 O ARG A 85 13.309 -4.042 2.252 1.00 32.24 O ATOM 1384 CB ARG A 85 10.691 -4.391 0.546 1.00 73.15 C ATOM 1385 CG ARG A 85 9.519 -5.229 0.047 1.00 2.11 C ATOM 1386 CD ARG A 85 9.772 -6.727 0.192 1.00 2.24 C ATOM 1387 NE ARG A 85 8.630 -7.516 -0.268 1.00 52.24 N ATOM 1388 CZ ARG A 85 8.561 -8.100 -1.434 1.00 42.33 C ATOM 1389 NH1 ARG A 85 9.552 -8.043 -2.264 1.00 13.32 N ATOM 1390 NH2 ARG A 85 7.498 -8.752 -1.766 1.00 22.00 N ATOM 0 H ARG A 85 9.157 -3.432 2.348 1.00 44.44 H new ATOM 0 HA ARG A 85 11.176 -5.543 2.305 1.00 43.43 H new ATOM 0 HB2 ARG A 85 10.507 -3.345 0.299 1.00 73.15 H new ATOM 0 HB3 ARG A 85 11.592 -4.691 0.011 1.00 73.15 H new ATOM 0 HG2 ARG A 85 8.621 -4.960 0.602 1.00 2.11 H new ATOM 0 HG3 ARG A 85 9.328 -4.995 -1.000 1.00 2.11 H new ATOM 0 HD2 ARG A 85 10.659 -7.003 -0.379 1.00 2.24 H new ATOM 0 HD3 ARG A 85 9.979 -6.962 1.236 1.00 2.24 H new ATOM 0 HE ARG A 85 7.835 -7.617 0.363 1.00 52.24 H new ATOM 0 HH11 ARG A 85 10.401 -7.537 -2.011 1.00 13.32 H new ATOM 0 HH12 ARG A 85 9.484 -8.504 -3.171 1.00 13.32 H new ATOM 0 HH21 ARG A 85 6.713 -8.811 -1.118 1.00 22.00 H new ATOM 0 HH22 ARG A 85 7.443 -9.208 -2.677 1.00 22.00 H new ATOM 1476 N LYS A 92 11.102 3.767 2.298 1.00 12.34 N ATOM 1477 CA LYS A 92 10.815 2.340 2.384 1.00 3.51 C ATOM 1478 C LYS A 92 9.556 1.974 1.581 1.00 54.50 C ATOM 1479 O LYS A 92 8.871 2.845 1.037 1.00 13.32 O ATOM 1480 CB LYS A 92 10.651 1.941 3.858 1.00 53.01 C ATOM 1481 CG LYS A 92 11.857 2.310 4.722 1.00 24.20 C ATOM 1482 CD LYS A 92 11.673 1.900 6.183 1.00 63.11 C ATOM 1483 CE LYS A 92 10.536 2.660 6.859 1.00 5.31 C ATOM 1484 NZ LYS A 92 10.803 4.119 6.949 1.00 32.13 N ATOM 0 HA LYS A 92 11.650 1.789 1.950 1.00 3.51 H new ATOM 0 HB2 LYS A 92 9.762 2.425 4.262 1.00 53.01 H new ATOM 0 HB3 LYS A 92 10.484 0.866 3.920 1.00 53.01 H new ATOM 0 HG2 LYS A 92 12.749 1.828 4.322 1.00 24.20 H new ATOM 0 HG3 LYS A 92 12.024 3.386 4.667 1.00 24.20 H new ATOM 0 HD2 LYS A 92 11.473 0.830 6.235 1.00 63.11 H new ATOM 0 HD3 LYS A 92 12.600 2.078 6.728 1.00 63.11 H new ATOM 0 HE2 LYS A 92 9.613 2.496 6.303 1.00 5.31 H new ATOM 0 HE3 LYS A 92 10.380 2.260 7.861 1.00 5.31 H new ATOM 0 HZ1 LYS A 92 10.177 4.543 7.663 1.00 32.13 H new ATOM 0 HZ2 LYS A 92 11.795 4.274 7.222 1.00 32.13 H new ATOM 0 HZ3 LYS A 92 10.625 4.562 6.025 1.00 32.13 H new ATOM 1498 N GLU A 93 9.244 0.684 1.522 1.00 14.52 N ATOM 1499 CA GLU A 93 8.072 0.201 0.785 1.00 23.41 C ATOM 1500 C GLU A 93 7.433 -1.005 1.487 1.00 52.30 C ATOM 1501 O GLU A 93 8.106 -1.743 2.215 1.00 12.21 O ATOM 1502 CB GLU A 93 8.460 -0.169 -0.653 1.00 63.14 C ATOM 1503 CG GLU A 93 9.501 -1.277 -0.745 1.00 54.22 C ATOM 1504 CD GLU A 93 9.862 -1.625 -2.179 1.00 54.34 C ATOM 1505 OE1 GLU A 93 10.667 -0.892 -2.783 1.00 21.52 O ATOM 1506 OE2 GLU A 93 9.347 -2.634 -2.706 1.00 11.32 O ATOM 0 H GLU A 93 9.786 -0.052 1.976 1.00 14.52 H new ATOM 0 HA GLU A 93 7.338 1.006 0.758 1.00 23.41 H new ATOM 0 HB2 GLU A 93 7.565 -0.479 -1.192 1.00 63.14 H new ATOM 0 HB3 GLU A 93 8.843 0.719 -1.156 1.00 63.14 H new ATOM 0 HG2 GLU A 93 10.401 -0.969 -0.213 1.00 54.22 H new ATOM 0 HG3 GLU A 93 9.123 -2.168 -0.244 1.00 54.22 H new ATOM 1513 N ALA A 94 6.137 -1.199 1.257 1.00 41.01 N ATOM 1514 CA ALA A 94 5.384 -2.283 1.895 1.00 62.41 C ATOM 1515 C ALA A 94 4.474 -3.004 0.889 1.00 42.13 C ATOM 1516 O ALA A 94 3.718 -2.369 0.159 1.00 25.42 O ATOM 1517 CB ALA A 94 4.560 -1.733 3.050 1.00 54.34 C ATOM 0 H ALA A 94 5.581 -0.617 0.630 1.00 41.01 H new ATOM 0 HA ALA A 94 6.099 -3.011 2.277 1.00 62.41 H new ATOM 0 HB1 ALA A 94 4.003 -2.545 3.519 1.00 54.34 H new ATOM 0 HB2 ALA A 94 5.223 -1.276 3.785 1.00 54.34 H new ATOM 0 HB3 ALA A 94 3.863 -0.984 2.675 1.00 54.34 H new ATOM 1523 N HIS A 95 4.546 -4.332 0.868 1.00 43.23 N ATOM 1524 CA HIS A 95 3.750 -5.144 -0.062 1.00 22.13 C ATOM 1525 C HIS A 95 2.504 -5.721 0.618 1.00 40.14 C ATOM 1526 O HIS A 95 2.576 -6.246 1.734 1.00 72.02 O ATOM 1527 CB HIS A 95 4.605 -6.277 -0.645 1.00 74.12 C ATOM 1528 CG HIS A 95 5.620 -5.798 -1.637 1.00 4.11 C ATOM 1529 ND1 HIS A 95 5.634 -6.261 -2.928 1.00 10.50 N ATOM 1530 CD2 HIS A 95 6.625 -4.905 -1.477 1.00 64.34 C ATOM 1531 CE1 HIS A 95 6.638 -5.642 -3.524 1.00 64.11 C ATOM 1532 NE2 HIS A 95 7.266 -4.810 -2.683 1.00 21.30 N ATOM 0 H HIS A 95 5.149 -4.875 1.486 1.00 43.23 H new ATOM 0 HA HIS A 95 3.418 -4.492 -0.870 1.00 22.13 H new ATOM 0 HB2 HIS A 95 5.116 -6.793 0.168 1.00 74.12 H new ATOM 0 HB3 HIS A 95 3.952 -7.006 -1.125 1.00 74.12 H new ATOM 0 HD2 HIS A 95 6.873 -4.370 -0.572 1.00 64.34 H new ATOM 0 HE1 HIS A 95 6.917 -5.788 -4.557 1.00 64.11 H new ATOM 0 HE2 HIS A 95 8.068 -4.219 -2.900 1.00 21.30 H new ATOM 1540 N LEU A 96 1.368 -5.622 -0.067 1.00 43.33 N ATOM 1541 CA LEU A 96 0.091 -6.104 0.463 1.00 31.43 C ATOM 1542 C LEU A 96 -0.153 -7.586 0.122 1.00 12.21 C ATOM 1543 O LEU A 96 0.387 -8.122 -0.847 1.00 62.53 O ATOM 1544 CB LEU A 96 -1.070 -5.250 -0.076 1.00 40.52 C ATOM 1545 CG LEU A 96 -1.266 -3.881 0.605 1.00 71.23 C ATOM 1546 CD1 LEU A 96 -0.105 -2.935 0.299 1.00 65.21 C ATOM 1547 CD2 LEU A 96 -2.597 -3.259 0.187 1.00 64.30 C ATOM 0 H LEU A 96 1.304 -5.209 -0.998 1.00 43.33 H new ATOM 0 HA LEU A 96 0.138 -6.013 1.548 1.00 31.43 H new ATOM 0 HB2 LEU A 96 -0.911 -5.085 -1.142 1.00 40.52 H new ATOM 0 HB3 LEU A 96 -1.993 -5.820 0.024 1.00 40.52 H new ATOM 0 HG LEU A 96 -1.284 -4.043 1.683 1.00 71.23 H new ATOM 0 HD11 LEU A 96 -0.275 -1.979 0.794 1.00 65.21 H new ATOM 0 HD12 LEU A 96 0.825 -3.372 0.662 1.00 65.21 H new ATOM 0 HD13 LEU A 96 -0.037 -2.779 -0.778 1.00 65.21 H new ATOM 0 HD21 LEU A 96 -2.717 -2.293 0.678 1.00 64.30 H new ATOM 0 HD22 LEU A 96 -2.610 -3.121 -0.894 1.00 64.30 H new ATOM 0 HD23 LEU A 96 -3.414 -3.919 0.479 1.00 64.30 H new ATOM 1559 N MET A 97 -0.980 -8.231 0.937 1.00 12.40 N ATOM 1560 CA MET A 97 -1.324 -9.648 0.770 1.00 24.44 C ATOM 1561 C MET A 97 -2.791 -9.793 0.335 1.00 72.12 C ATOM 1562 O MET A 97 -3.593 -8.891 0.565 1.00 73.43 O ATOM 1563 CB MET A 97 -1.122 -10.369 2.106 1.00 11.22 C ATOM 1564 CG MET A 97 0.219 -10.074 2.750 1.00 70.12 C ATOM 1565 SD MET A 97 0.245 -10.496 4.500 1.00 63.31 S ATOM 1566 CE MET A 97 1.760 -9.686 4.994 1.00 71.13 C ATOM 0 H MET A 97 -1.435 -7.789 1.736 1.00 12.40 H new ATOM 0 HA MET A 97 -0.683 -10.084 0.004 1.00 24.44 H new ATOM 0 HB2 MET A 97 -1.918 -10.079 2.792 1.00 11.22 H new ATOM 0 HB3 MET A 97 -1.213 -11.444 1.948 1.00 11.22 H new ATOM 0 HG2 MET A 97 0.999 -10.633 2.232 1.00 70.12 H new ATOM 0 HG3 MET A 97 0.452 -9.016 2.630 1.00 70.12 H new ATOM 0 HE1 MET A 97 2.511 -10.437 5.240 1.00 71.13 H new ATOM 0 HE2 MET A 97 2.123 -9.064 4.176 1.00 71.13 H new ATOM 0 HE3 MET A 97 1.571 -9.062 5.868 1.00 71.13 H new ATOM 1576 N PRO A 98 -3.176 -10.934 -0.274 1.00 12.41 N ATOM 1577 CA PRO A 98 -4.584 -11.199 -0.637 1.00 41.22 C ATOM 1578 C PRO A 98 -5.564 -10.932 0.523 1.00 11.41 C ATOM 1579 O PRO A 98 -6.718 -10.549 0.308 1.00 53.31 O ATOM 1580 CB PRO A 98 -4.571 -12.691 -1.002 1.00 1.12 C ATOM 1581 CG PRO A 98 -3.183 -12.940 -1.496 1.00 22.43 C ATOM 1582 CD PRO A 98 -2.284 -12.040 -0.683 1.00 33.01 C ATOM 0 HA PRO A 98 -4.927 -10.546 -1.439 1.00 41.22 H new ATOM 0 HB2 PRO A 98 -4.803 -13.314 -0.138 1.00 1.12 H new ATOM 0 HB3 PRO A 98 -5.312 -12.919 -1.768 1.00 1.12 H new ATOM 0 HG2 PRO A 98 -2.906 -13.986 -1.369 1.00 22.43 H new ATOM 0 HG3 PRO A 98 -3.101 -12.715 -2.559 1.00 22.43 H new ATOM 0 HD2 PRO A 98 -1.870 -12.561 0.180 1.00 33.01 H new ATOM 0 HD3 PRO A 98 -1.441 -11.678 -1.272 1.00 33.01 H new ATOM 1590 N ARG A 99 -5.084 -11.119 1.751 1.00 64.42 N ATOM 1591 CA ARG A 99 -5.906 -10.939 2.956 1.00 60.54 C ATOM 1592 C ARG A 99 -5.819 -9.505 3.508 1.00 64.32 C ATOM 1593 O ARG A 99 -6.647 -9.095 4.324 1.00 1.02 O ATOM 1594 CB ARG A 99 -5.456 -11.934 4.031 1.00 73.21 C ATOM 1595 CG ARG A 99 -5.369 -13.372 3.528 1.00 32.34 C ATOM 1596 CD ARG A 99 -4.814 -14.319 4.586 1.00 63.31 C ATOM 1597 NE ARG A 99 -4.535 -15.642 4.034 1.00 64.45 N ATOM 1598 CZ ARG A 99 -4.375 -16.721 4.747 1.00 40.44 C ATOM 1599 NH1 ARG A 99 -4.476 -16.684 6.036 1.00 43.41 N ATOM 1600 NH2 ARG A 99 -4.107 -17.843 4.164 1.00 33.24 N ATOM 0 H ARG A 99 -4.122 -11.398 1.943 1.00 64.42 H new ATOM 0 HA ARG A 99 -6.945 -11.122 2.681 1.00 60.54 H new ATOM 0 HB2 ARG A 99 -4.481 -11.630 4.411 1.00 73.21 H new ATOM 0 HB3 ARG A 99 -6.152 -11.892 4.869 1.00 73.21 H new ATOM 0 HG2 ARG A 99 -6.360 -13.710 3.224 1.00 32.34 H new ATOM 0 HG3 ARG A 99 -4.735 -13.408 2.642 1.00 32.34 H new ATOM 0 HD2 ARG A 99 -3.900 -13.900 5.006 1.00 63.31 H new ATOM 0 HD3 ARG A 99 -5.528 -14.409 5.404 1.00 63.31 H new ATOM 0 HE ARG A 99 -4.460 -15.727 3.020 1.00 64.45 H new ATOM 0 HH11 ARG A 99 -4.683 -15.803 6.506 1.00 43.41 H new ATOM 0 HH12 ARG A 99 -4.348 -17.536 6.582 1.00 43.41 H new ATOM 0 HH21 ARG A 99 -4.021 -17.882 3.148 1.00 33.24 H new ATOM 0 HH22 ARG A 99 -3.981 -18.689 4.720 1.00 33.24 H new ATOM 1614 N SER A 100 -4.815 -8.751 3.062 1.00 14.51 N ATOM 1615 CA SER A 100 -4.605 -7.374 3.539 1.00 74.22 C ATOM 1616 C SER A 100 -5.767 -6.455 3.148 1.00 21.32 C ATOM 1617 O SER A 100 -6.236 -6.470 2.008 1.00 4.31 O ATOM 1618 CB SER A 100 -3.298 -6.788 2.986 1.00 71.45 C ATOM 1619 OG SER A 100 -2.175 -7.560 3.379 1.00 14.22 O ATOM 0 H SER A 100 -4.132 -9.065 2.372 1.00 14.51 H new ATOM 0 HA SER A 100 -4.547 -7.427 4.626 1.00 74.22 H new ATOM 0 HB2 SER A 100 -3.349 -6.745 1.898 1.00 71.45 H new ATOM 0 HB3 SER A 100 -3.179 -5.764 3.340 1.00 71.45 H new ATOM 0 HG SER A 100 -1.809 -7.203 4.215 1.00 14.22 H new ATOM 1625 N THR A 101 -6.217 -5.652 4.104 1.00 75.02 N ATOM 1626 CA THR A 101 -7.309 -4.693 3.875 1.00 73.31 C ATOM 1627 C THR A 101 -6.812 -3.249 4.019 1.00 34.53 C ATOM 1628 O THR A 101 -5.779 -3.004 4.643 1.00 34.03 O ATOM 1629 CB THR A 101 -8.464 -4.904 4.883 1.00 64.23 C ATOM 1630 OG1 THR A 101 -8.023 -4.596 6.220 1.00 13.45 O ATOM 1631 CG2 THR A 101 -8.982 -6.338 4.846 1.00 61.42 C ATOM 0 H THR A 101 -5.845 -5.641 5.054 1.00 75.02 H new ATOM 0 HA THR A 101 -7.669 -4.865 2.861 1.00 73.31 H new ATOM 0 HB THR A 101 -9.274 -4.233 4.597 1.00 64.23 H new ATOM 0 HG1 THR A 101 -8.763 -4.732 6.848 1.00 13.45 H new ATOM 0 HG21 THR A 101 -9.792 -6.451 5.566 1.00 61.42 H new ATOM 0 HG22 THR A 101 -9.351 -6.566 3.846 1.00 61.42 H new ATOM 0 HG23 THR A 101 -8.173 -7.024 5.099 1.00 61.42 H new ATOM 1639 N VAL A 102 -7.549 -2.295 3.453 1.00 61.33 N ATOM 1640 CA VAL A 102 -7.241 -0.875 3.645 1.00 50.12 C ATOM 1641 C VAL A 102 -8.410 -0.162 4.339 1.00 34.22 C ATOM 1642 O VAL A 102 -9.550 -0.170 3.860 1.00 14.23 O ATOM 1643 CB VAL A 102 -6.885 -0.150 2.316 1.00 20.43 C ATOM 1644 CG1 VAL A 102 -5.671 -0.801 1.656 1.00 74.24 C ATOM 1645 CG2 VAL A 102 -8.074 -0.111 1.356 1.00 12.41 C ATOM 0 H VAL A 102 -8.360 -2.476 2.861 1.00 61.33 H new ATOM 0 HA VAL A 102 -6.356 -0.829 4.280 1.00 50.12 H new ATOM 0 HB VAL A 102 -6.633 0.882 2.561 1.00 20.43 H new ATOM 0 HG11 VAL A 102 -5.438 -0.279 0.728 1.00 74.24 H new ATOM 0 HG12 VAL A 102 -4.816 -0.743 2.329 1.00 74.24 H new ATOM 0 HG13 VAL A 102 -5.892 -1.846 1.439 1.00 74.24 H new ATOM 0 HG21 VAL A 102 -7.785 0.404 0.440 1.00 12.41 H new ATOM 0 HG22 VAL A 102 -8.383 -1.129 1.119 1.00 12.41 H new ATOM 0 HG23 VAL A 102 -8.903 0.420 1.824 1.00 12.41 H new ATOM 1655 N GLU A 103 -8.119 0.430 5.485 1.00 32.45 N ATOM 1656 CA GLU A 103 -9.133 1.085 6.307 1.00 13.50 C ATOM 1657 C GLU A 103 -8.818 2.577 6.505 1.00 61.54 C ATOM 1658 O GLU A 103 -7.805 2.944 7.094 1.00 53.43 O ATOM 1659 CB GLU A 103 -9.251 0.347 7.654 1.00 65.31 C ATOM 1660 CG GLU A 103 -7.911 0.085 8.343 1.00 15.44 C ATOM 1661 CD GLU A 103 -8.014 -0.902 9.498 1.00 1.14 C ATOM 1662 OE1 GLU A 103 -8.772 -1.892 9.378 1.00 23.01 O ATOM 1663 OE2 GLU A 103 -7.322 -0.717 10.520 1.00 12.15 O ATOM 0 H GLU A 103 -7.177 0.472 5.874 1.00 32.45 H new ATOM 0 HA GLU A 103 -10.093 1.035 5.793 1.00 13.50 H new ATOM 0 HB2 GLU A 103 -9.883 0.932 8.322 1.00 65.31 H new ATOM 0 HB3 GLU A 103 -9.756 -0.605 7.491 1.00 65.31 H new ATOM 0 HG2 GLU A 103 -7.201 -0.297 7.609 1.00 15.44 H new ATOM 0 HG3 GLU A 103 -7.510 1.028 8.714 1.00 15.44 H new ATOM 1670 N VAL A 104 -9.694 3.435 5.991 1.00 71.01 N ATOM 1671 CA VAL A 104 -9.505 4.885 6.081 1.00 3.22 C ATOM 1672 C VAL A 104 -9.804 5.409 7.496 1.00 63.30 C ATOM 1673 O VAL A 104 -10.752 4.968 8.151 1.00 1.33 O ATOM 1674 CB VAL A 104 -10.388 5.626 5.044 1.00 45.03 C ATOM 1675 CG1 VAL A 104 -9.952 5.281 3.620 1.00 11.34 C ATOM 1676 CG2 VAL A 104 -11.866 5.296 5.248 1.00 63.03 C ATOM 0 H VAL A 104 -10.546 3.153 5.506 1.00 71.01 H new ATOM 0 HA VAL A 104 -8.457 5.086 5.858 1.00 3.22 H new ATOM 0 HB VAL A 104 -10.257 6.698 5.195 1.00 45.03 H new ATOM 0 HG11 VAL A 104 -10.584 5.811 2.907 1.00 11.34 H new ATOM 0 HG12 VAL A 104 -8.913 5.579 3.475 1.00 11.34 H new ATOM 0 HG13 VAL A 104 -10.047 4.207 3.460 1.00 11.34 H new ATOM 0 HG21 VAL A 104 -12.463 5.829 4.508 1.00 63.03 H new ATOM 0 HG22 VAL A 104 -12.018 4.223 5.133 1.00 63.03 H new ATOM 0 HG23 VAL A 104 -12.172 5.601 6.249 1.00 63.03 H new ATOM 1686 N LEU A 105 -8.984 6.347 7.969 1.00 40.34 N ATOM 1687 CA LEU A 105 -9.112 6.865 9.338 1.00 43.33 C ATOM 1688 C LEU A 105 -9.792 8.241 9.386 1.00 5.11 C ATOM 1689 O LEU A 105 -10.036 8.779 10.466 1.00 14.02 O ATOM 1690 CB LEU A 105 -7.733 6.943 10.002 1.00 74.23 C ATOM 1691 CG LEU A 105 -6.973 5.609 10.084 1.00 32.20 C ATOM 1692 CD1 LEU A 105 -5.668 5.779 10.857 1.00 33.01 C ATOM 1693 CD2 LEU A 105 -7.845 4.529 10.720 1.00 32.35 C ATOM 0 H LEU A 105 -8.226 6.765 7.430 1.00 40.34 H new ATOM 0 HA LEU A 105 -9.749 6.169 9.885 1.00 43.33 H new ATOM 0 HB2 LEU A 105 -7.122 7.658 9.452 1.00 74.23 H new ATOM 0 HB3 LEU A 105 -7.854 7.337 11.011 1.00 74.23 H new ATOM 0 HG LEU A 105 -6.728 5.292 9.070 1.00 32.20 H new ATOM 0 HD11 LEU A 105 -5.146 4.823 10.904 1.00 33.01 H new ATOM 0 HD12 LEU A 105 -5.039 6.512 10.352 1.00 33.01 H new ATOM 0 HD13 LEU A 105 -5.886 6.123 11.868 1.00 33.01 H new ATOM 0 HD21 LEU A 105 -7.288 3.593 10.768 1.00 32.35 H new ATOM 0 HD22 LEU A 105 -8.127 4.836 11.727 1.00 32.35 H new ATOM 0 HD23 LEU A 105 -8.743 4.386 10.119 1.00 32.35 H new