USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=21 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= -0.0658 F(o=-3.9,f=-1.4) USER MOD Set 1.2: A 97 MET CE :methyl 145:sc= -1.29 (180deg=-2.01) USER MOD Set 2.1: A 64 ASN : amide:sc= 0.334 K(o=1.4,f=-0.19) USER MOD Set 2.2: A 100 SER OG : rot 150:sc= 1.04 USER MOD Set 3.1: A 9 THR OG1 : rot -25:sc= 0.0419 USER MOD Set 3.2: A 53 THR OG1 : rot -71:sc= 0.845 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 159:sc= -0.0872 (180deg=-0.412) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.352 USER MOD Single : A 22 THR OG1 : rot 150:sc= -0.437 USER MOD Single : A 26 MET CE :methyl 165:sc= -0.0834 (180deg=-0.515) USER MOD Single : A 27 LYS NZ :NH3+ 152:sc= -1.35! (180deg=-2.86!) 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 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.806! C(o=-0.81!,f=-6.8!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 164:sc= 0.144 (180deg=-0.265!) USER MOD Single : A 69 LYS NZ :NH3+ -110:sc= 0.329 (180deg=-0.204) USER MOD Single : A 70 LYS NZ :NH3+ -173:sc= 1.26 (180deg=1.11) USER MOD Single : A 80 LYS NZ :NH3+ -164:sc= 1.25 (180deg=0.681) USER MOD Single : A 92 LYS NZ :NH3+ -174:sc=-0.00974 (180deg=-0.0974) USER MOD Single : A 95 HIS : no HD1:sc= 0.0865 K(o=0.087,f=-4.2!) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 142 N THR A 9 4.789 3.609 13.152 1.00 3.31 N ATOM 143 CA THR A 9 4.817 4.697 12.166 1.00 71.12 C ATOM 144 C THR A 9 5.878 4.442 11.090 1.00 45.02 C ATOM 145 O THR A 9 6.809 3.662 11.295 1.00 32.10 O ATOM 146 CB THR A 9 5.101 6.064 12.833 1.00 72.12 C ATOM 147 OG1 THR A 9 6.373 6.030 13.505 1.00 21.05 O ATOM 148 CG2 THR A 9 4.004 6.424 13.828 1.00 3.33 C ATOM 0 HA THR A 9 3.830 4.724 11.705 1.00 71.12 H new ATOM 0 HB THR A 9 5.123 6.824 12.052 1.00 72.12 H new ATOM 0 HG1 THR A 9 6.591 5.106 13.747 1.00 21.05 H new ATOM 0 HG21 THR A 9 4.228 7.389 14.283 1.00 3.33 H new ATOM 0 HG22 THR A 9 3.047 6.480 13.310 1.00 3.33 H new ATOM 0 HG23 THR A 9 3.952 5.661 14.604 1.00 3.33 H new ATOM 156 N ILE A 10 5.755 5.124 9.954 1.00 13.33 N ATOM 157 CA ILE A 10 6.645 4.884 8.811 1.00 42.45 C ATOM 158 C ILE A 10 8.136 5.011 9.187 1.00 15.23 C ATOM 159 O ILE A 10 8.976 4.274 8.667 1.00 51.55 O ATOM 160 CB ILE A 10 6.305 5.820 7.624 1.00 64.42 C ATOM 161 CG1 ILE A 10 4.850 5.576 7.173 1.00 44.54 C ATOM 162 CG2 ILE A 10 7.279 5.596 6.464 1.00 53.22 C ATOM 163 CD1 ILE A 10 4.408 6.416 5.991 1.00 72.44 C ATOM 0 H ILE A 10 5.052 5.846 9.796 1.00 13.33 H new ATOM 0 HA ILE A 10 6.474 3.853 8.500 1.00 42.45 H new ATOM 0 HB ILE A 10 6.405 6.856 7.948 1.00 64.42 H new ATOM 0 HG12 ILE A 10 4.734 4.523 6.917 1.00 44.54 H new ATOM 0 HG13 ILE A 10 4.185 5.775 8.013 1.00 44.54 H new ATOM 0 HG21 ILE A 10 7.023 6.263 5.640 1.00 53.22 H new ATOM 0 HG22 ILE A 10 8.296 5.804 6.797 1.00 53.22 H new ATOM 0 HG23 ILE A 10 7.212 4.561 6.127 1.00 53.22 H new ATOM 0 HD11 ILE A 10 3.373 6.179 5.743 1.00 72.44 H new ATOM 0 HD12 ILE A 10 4.487 7.473 6.246 1.00 72.44 H new ATOM 0 HD13 ILE A 10 5.045 6.201 5.133 1.00 72.44 H new ATOM 175 N SER A 11 8.456 5.924 10.105 1.00 13.35 N ATOM 176 CA SER A 11 9.837 6.066 10.604 1.00 52.31 C ATOM 177 C SER A 11 10.323 4.777 11.289 1.00 45.43 C ATOM 178 O SER A 11 11.485 4.387 11.159 1.00 60.40 O ATOM 179 CB SER A 11 9.942 7.241 11.589 1.00 62.12 C ATOM 180 OG SER A 11 11.269 7.408 12.072 1.00 21.34 O ATOM 0 H SER A 11 7.788 6.574 10.519 1.00 13.35 H new ATOM 0 HA SER A 11 10.474 6.262 9.741 1.00 52.31 H new ATOM 0 HB2 SER A 11 9.616 8.158 11.097 1.00 62.12 H new ATOM 0 HB3 SER A 11 9.268 7.073 12.429 1.00 62.12 H new ATOM 0 HG SER A 11 11.298 8.165 12.694 1.00 21.34 H new ATOM 186 N LYS A 12 9.419 4.106 12.002 1.00 43.13 N ATOM 187 CA LYS A 12 9.761 2.896 12.761 1.00 1.43 C ATOM 188 C LYS A 12 9.658 1.614 11.917 1.00 61.55 C ATOM 189 O LYS A 12 10.006 0.528 12.392 1.00 51.31 O ATOM 190 CB LYS A 12 8.845 2.764 13.982 1.00 51.33 C ATOM 191 CG LYS A 12 9.040 3.843 15.040 1.00 43.43 C ATOM 192 CD LYS A 12 10.467 3.858 15.584 1.00 21.12 C ATOM 193 CE LYS A 12 10.553 4.596 16.913 1.00 14.33 C ATOM 194 NZ LYS A 12 9.829 3.867 17.990 1.00 52.23 N ATOM 0 H LYS A 12 8.439 4.379 12.072 1.00 43.13 H new ATOM 0 HA LYS A 12 10.800 3.007 13.072 1.00 1.43 H new ATOM 0 HB2 LYS A 12 7.808 2.786 13.646 1.00 51.33 H new ATOM 0 HB3 LYS A 12 9.011 1.789 14.441 1.00 51.33 H new ATOM 0 HG2 LYS A 12 8.805 4.817 14.612 1.00 43.43 H new ATOM 0 HG3 LYS A 12 8.341 3.678 15.860 1.00 43.43 H new ATOM 0 HD2 LYS A 12 10.819 2.834 15.712 1.00 21.12 H new ATOM 0 HD3 LYS A 12 11.128 4.334 14.860 1.00 21.12 H new ATOM 0 HE2 LYS A 12 11.599 4.719 17.195 1.00 14.33 H new ATOM 0 HE3 LYS A 12 10.133 5.596 16.803 1.00 14.33 H new ATOM 0 HZ1 LYS A 12 10.185 4.175 18.917 1.00 52.23 H new ATOM 0 HZ2 LYS A 12 8.811 4.072 17.924 1.00 52.23 H new ATOM 0 HZ3 LYS A 12 9.984 2.844 17.882 1.00 52.23 H new ATOM 208 N LEU A 13 9.171 1.728 10.683 1.00 34.04 N ATOM 209 CA LEU A 13 9.018 0.556 9.815 1.00 21.13 C ATOM 210 C LEU A 13 10.365 -0.128 9.532 1.00 53.23 C ATOM 211 O LEU A 13 11.308 0.493 9.035 1.00 34.35 O ATOM 212 CB LEU A 13 8.326 0.931 8.499 1.00 63.41 C ATOM 213 CG LEU A 13 6.858 1.358 8.635 1.00 22.45 C ATOM 214 CD1 LEU A 13 6.252 1.645 7.264 1.00 5.13 C ATOM 215 CD2 LEU A 13 6.048 0.298 9.380 1.00 35.13 C ATOM 0 H LEU A 13 8.877 2.610 10.262 1.00 34.04 H new ATOM 0 HA LEU A 13 8.389 -0.155 10.350 1.00 21.13 H new ATOM 0 HB2 LEU A 13 8.883 1.743 8.032 1.00 63.41 H new ATOM 0 HB3 LEU A 13 8.379 0.078 7.822 1.00 63.41 H new ATOM 0 HG LEU A 13 6.824 2.277 9.220 1.00 22.45 H new ATOM 0 HD11 LEU A 13 5.211 1.946 7.382 1.00 5.13 H new ATOM 0 HD12 LEU A 13 6.809 2.447 6.781 1.00 5.13 H new ATOM 0 HD13 LEU A 13 6.302 0.747 6.649 1.00 5.13 H new ATOM 0 HD21 LEU A 13 5.011 0.624 9.463 1.00 35.13 H new ATOM 0 HD22 LEU A 13 6.089 -0.643 8.832 1.00 35.13 H new ATOM 0 HD23 LEU A 13 6.465 0.156 10.377 1.00 35.13 H new ATOM 227 N GLU A 14 10.431 -1.415 9.852 1.00 11.23 N ATOM 228 CA GLU A 14 11.653 -2.210 9.711 1.00 33.35 C ATOM 229 C GLU A 14 11.543 -3.180 8.525 1.00 60.43 C ATOM 230 O GLU A 14 10.613 -3.986 8.465 1.00 43.25 O ATOM 231 CB GLU A 14 11.885 -3.001 11.006 1.00 75.54 C ATOM 232 CG GLU A 14 13.138 -3.868 11.012 1.00 51.00 C ATOM 233 CD GLU A 14 13.202 -4.776 12.234 1.00 70.23 C ATOM 234 OE1 GLU A 14 13.382 -4.261 13.358 1.00 61.02 O ATOM 235 OE2 GLU A 14 13.040 -6.003 12.084 1.00 34.43 O ATOM 0 H GLU A 14 9.638 -1.942 10.218 1.00 11.23 H new ATOM 0 HA GLU A 14 12.492 -1.539 9.525 1.00 33.35 H new ATOM 0 HB2 GLU A 14 11.942 -2.299 11.838 1.00 75.54 H new ATOM 0 HB3 GLU A 14 11.019 -3.638 11.186 1.00 75.54 H new ATOM 0 HG2 GLU A 14 13.162 -4.476 10.108 1.00 51.00 H new ATOM 0 HG3 GLU A 14 14.021 -3.229 10.989 1.00 51.00 H new ATOM 242 N GLU A 15 12.481 -3.099 7.583 1.00 3.03 N ATOM 243 CA GLU A 15 12.508 -4.026 6.443 1.00 45.30 C ATOM 244 C GLU A 15 12.621 -5.487 6.920 1.00 3.15 C ATOM 245 O GLU A 15 13.502 -5.831 7.707 1.00 53.55 O ATOM 246 CB GLU A 15 13.664 -3.671 5.492 1.00 62.02 C ATOM 247 CG GLU A 15 15.043 -3.682 6.147 1.00 62.50 C ATOM 248 CD GLU A 15 16.133 -3.172 5.217 1.00 73.30 C ATOM 249 OE1 GLU A 15 16.267 -1.937 5.076 1.00 13.25 O ATOM 250 OE2 GLU A 15 16.853 -4.000 4.621 1.00 30.21 O ATOM 0 H GLU A 15 13.230 -2.407 7.582 1.00 3.03 H new ATOM 0 HA GLU A 15 11.569 -3.925 5.899 1.00 45.30 H new ATOM 0 HB2 GLU A 15 13.664 -4.376 4.660 1.00 62.02 H new ATOM 0 HB3 GLU A 15 13.482 -2.682 5.072 1.00 62.02 H new ATOM 0 HG2 GLU A 15 15.020 -3.066 7.046 1.00 62.50 H new ATOM 0 HG3 GLU A 15 15.284 -4.697 6.462 1.00 62.50 H new ATOM 257 N GLY A 16 11.711 -6.337 6.450 1.00 2.35 N ATOM 258 CA GLY A 16 11.663 -7.723 6.903 1.00 62.15 C ATOM 259 C GLY A 16 10.547 -7.967 7.917 1.00 4.32 C ATOM 260 O GLY A 16 10.130 -9.107 8.136 1.00 32.15 O ATOM 0 H GLY A 16 11.001 -6.092 5.760 1.00 2.35 H new ATOM 0 HA2 GLY A 16 11.519 -8.378 6.044 1.00 62.15 H new ATOM 0 HA3 GLY A 16 12.621 -7.989 7.350 1.00 62.15 H new ATOM 264 N ALA A 17 10.052 -6.891 8.527 1.00 24.34 N ATOM 265 CA ALA A 17 8.988 -6.978 9.534 1.00 41.33 C ATOM 266 C ALA A 17 7.591 -6.999 8.894 1.00 44.05 C ATOM 267 O ALA A 17 7.396 -6.525 7.772 1.00 63.43 O ATOM 268 CB ALA A 17 9.101 -5.810 10.505 1.00 43.22 C ATOM 0 H ALA A 17 10.372 -5.940 8.341 1.00 24.34 H new ATOM 0 HA ALA A 17 9.115 -7.918 10.072 1.00 41.33 H new ATOM 0 HB1 ALA A 17 8.309 -5.879 11.251 1.00 43.22 H new ATOM 0 HB2 ALA A 17 10.071 -5.842 11.002 1.00 43.22 H new ATOM 0 HB3 ALA A 17 9.004 -4.872 9.959 1.00 43.22 H new ATOM 274 N GLU A 18 6.614 -7.543 9.620 1.00 12.45 N ATOM 275 CA GLU A 18 5.228 -7.593 9.142 1.00 34.13 C ATOM 276 C GLU A 18 4.282 -6.882 10.129 1.00 74.04 C ATOM 277 O GLU A 18 4.016 -7.380 11.224 1.00 44.33 O ATOM 278 CB GLU A 18 4.812 -9.063 8.947 1.00 50.43 C ATOM 279 CG GLU A 18 3.393 -9.258 8.420 1.00 51.13 C ATOM 280 CD GLU A 18 3.057 -10.723 8.173 1.00 35.41 C ATOM 281 OE1 GLU A 18 2.833 -11.459 9.153 1.00 54.43 O ATOM 282 OE2 GLU A 18 3.017 -11.147 6.997 1.00 12.42 O ATOM 0 H GLU A 18 6.755 -7.956 10.542 1.00 12.45 H new ATOM 0 HA GLU A 18 5.159 -7.071 8.187 1.00 34.13 H new ATOM 0 HB2 GLU A 18 5.510 -9.536 8.256 1.00 50.43 H new ATOM 0 HB3 GLU A 18 4.906 -9.583 9.900 1.00 50.43 H new ATOM 0 HG2 GLU A 18 2.683 -8.842 9.135 1.00 51.13 H new ATOM 0 HG3 GLU A 18 3.274 -8.700 7.491 1.00 51.13 H new ATOM 289 N THR A 19 3.784 -5.711 9.733 1.00 75.32 N ATOM 290 CA THR A 19 2.892 -4.904 10.588 1.00 64.03 C ATOM 291 C THR A 19 1.951 -4.029 9.750 1.00 11.11 C ATOM 292 O THR A 19 2.296 -3.645 8.634 1.00 33.51 O ATOM 293 CB THR A 19 3.699 -3.985 11.549 1.00 22.41 C ATOM 294 OG1 THR A 19 2.813 -3.097 12.261 1.00 11.03 O ATOM 295 CG2 THR A 19 4.737 -3.165 10.788 1.00 24.21 C ATOM 0 H THR A 19 3.980 -5.293 8.824 1.00 75.32 H new ATOM 0 HA THR A 19 2.305 -5.612 11.173 1.00 64.03 H new ATOM 0 HB THR A 19 4.217 -4.628 12.261 1.00 22.41 H new ATOM 0 HG1 THR A 19 3.336 -2.527 12.863 1.00 11.03 H new ATOM 0 HG21 THR A 19 5.285 -2.533 11.487 1.00 24.21 H new ATOM 0 HG22 THR A 19 5.432 -3.836 10.284 1.00 24.21 H new ATOM 0 HG23 THR A 19 4.236 -2.540 10.049 1.00 24.21 H new ATOM 303 N PRO A 20 0.744 -3.710 10.261 1.00 23.23 N ATOM 304 CA PRO A 20 -0.131 -2.704 9.632 1.00 31.24 C ATOM 305 C PRO A 20 0.495 -1.293 9.651 1.00 14.41 C ATOM 306 O PRO A 20 1.213 -0.938 10.589 1.00 41.55 O ATOM 307 CB PRO A 20 -1.410 -2.753 10.489 1.00 12.31 C ATOM 308 CG PRO A 20 -0.984 -3.355 11.791 1.00 4.25 C ATOM 309 CD PRO A 20 0.125 -4.317 11.456 1.00 10.21 C ATOM 0 HA PRO A 20 -0.310 -2.916 8.578 1.00 31.24 H new ATOM 0 HB2 PRO A 20 -1.826 -1.756 10.633 1.00 12.31 H new ATOM 0 HB3 PRO A 20 -2.182 -3.355 10.010 1.00 12.31 H new ATOM 0 HG2 PRO A 20 -0.639 -2.586 12.483 1.00 4.25 H new ATOM 0 HG3 PRO A 20 -1.815 -3.869 12.274 1.00 4.25 H new ATOM 0 HD2 PRO A 20 0.838 -4.412 12.275 1.00 10.21 H new ATOM 0 HD3 PRO A 20 -0.257 -5.317 11.249 1.00 10.21 H new ATOM 317 N VAL A 21 0.212 -0.491 8.620 1.00 62.40 N ATOM 318 CA VAL A 21 0.806 0.853 8.483 1.00 24.10 C ATOM 319 C VAL A 21 -0.268 1.951 8.360 1.00 52.53 C ATOM 320 O VAL A 21 -1.454 1.663 8.183 1.00 54.15 O ATOM 321 CB VAL A 21 1.742 0.934 7.247 1.00 11.50 C ATOM 322 CG1 VAL A 21 2.908 -0.043 7.378 1.00 34.20 C ATOM 323 CG2 VAL A 21 0.962 0.678 5.957 1.00 1.12 C ATOM 0 H VAL A 21 -0.425 -0.745 7.865 1.00 62.40 H new ATOM 0 HA VAL A 21 1.383 1.022 9.392 1.00 24.10 H new ATOM 0 HB VAL A 21 2.152 1.943 7.202 1.00 11.50 H new ATOM 0 HG11 VAL A 21 3.548 0.034 6.499 1.00 34.20 H new ATOM 0 HG12 VAL A 21 3.486 0.198 8.270 1.00 34.20 H new ATOM 0 HG13 VAL A 21 2.523 -1.060 7.459 1.00 34.20 H new ATOM 0 HG21 VAL A 21 1.638 0.740 5.104 1.00 1.12 H new ATOM 0 HG22 VAL A 21 0.514 -0.315 5.994 1.00 1.12 H new ATOM 0 HG23 VAL A 21 0.177 1.427 5.852 1.00 1.12 H new ATOM 333 N THR A 22 0.154 3.214 8.461 1.00 43.24 N ATOM 334 CA THR A 22 -0.763 4.362 8.344 1.00 34.31 C ATOM 335 C THR A 22 -0.082 5.556 7.658 1.00 64.05 C ATOM 336 O THR A 22 1.101 5.811 7.874 1.00 60.15 O ATOM 337 CB THR A 22 -1.295 4.814 9.732 1.00 70.33 C ATOM 338 OG1 THR A 22 -1.968 3.725 10.387 1.00 43.43 O ATOM 339 CG2 THR A 22 -2.260 5.989 9.602 1.00 74.30 C ATOM 0 H THR A 22 1.127 3.473 8.624 1.00 43.24 H new ATOM 0 HA THR A 22 -1.602 4.027 7.734 1.00 34.31 H new ATOM 0 HB THR A 22 -0.436 5.129 10.325 1.00 70.33 H new ATOM 0 HG1 THR A 22 -1.875 3.820 11.358 1.00 43.43 H new ATOM 0 HG21 THR A 22 -2.614 6.281 10.591 1.00 74.30 H new ATOM 0 HG22 THR A 22 -1.747 6.831 9.137 1.00 74.30 H new ATOM 0 HG23 THR A 22 -3.109 5.696 8.985 1.00 74.30 H new ATOM 347 N GLY A 23 -0.834 6.273 6.822 1.00 62.35 N ATOM 348 CA GLY A 23 -0.305 7.463 6.155 1.00 72.13 C ATOM 349 C GLY A 23 -1.310 8.105 5.200 1.00 25.52 C ATOM 350 O GLY A 23 -2.322 7.495 4.849 1.00 41.20 O ATOM 0 H GLY A 23 -1.803 6.053 6.592 1.00 62.35 H new ATOM 0 HA2 GLY A 23 -0.009 8.194 6.908 1.00 72.13 H new ATOM 0 HA3 GLY A 23 0.594 7.193 5.601 1.00 72.13 H new ATOM 354 N ARG A 24 -1.047 9.346 4.787 1.00 73.52 N ATOM 355 CA ARG A 24 -1.940 10.045 3.852 1.00 72.54 C ATOM 356 C ARG A 24 -1.606 9.711 2.395 1.00 52.24 C ATOM 357 O ARG A 24 -0.450 9.786 1.982 1.00 53.35 O ATOM 358 CB ARG A 24 -1.869 11.566 4.043 1.00 42.44 C ATOM 359 CG ARG A 24 -2.333 12.048 5.412 1.00 72.11 C ATOM 360 CD ARG A 24 -2.603 13.549 5.409 1.00 15.35 C ATOM 361 NE ARG A 24 -3.607 13.918 4.403 1.00 45.13 N ATOM 362 CZ ARG A 24 -3.843 15.144 4.010 1.00 31.51 C ATOM 363 NH1 ARG A 24 -3.186 16.138 4.516 1.00 53.42 N ATOM 364 NH2 ARG A 24 -4.742 15.369 3.107 1.00 71.25 N ATOM 0 H ARG A 24 -0.233 9.886 5.080 1.00 73.52 H new ATOM 0 HA ARG A 24 -2.950 9.700 4.073 1.00 72.54 H new ATOM 0 HB2 ARG A 24 -0.841 11.893 3.885 1.00 42.44 H new ATOM 0 HB3 ARG A 24 -2.478 12.046 3.276 1.00 42.44 H new ATOM 0 HG2 ARG A 24 -3.239 11.514 5.700 1.00 72.11 H new ATOM 0 HG3 ARG A 24 -1.574 11.814 6.159 1.00 72.11 H new ATOM 0 HD2 ARG A 24 -2.946 13.859 6.396 1.00 15.35 H new ATOM 0 HD3 ARG A 24 -1.675 14.085 5.211 1.00 15.35 H new ATOM 0 HE ARG A 24 -4.157 13.169 3.982 1.00 45.13 H new ATOM 0 HH11 ARG A 24 -2.476 15.970 5.229 1.00 53.42 H new ATOM 0 HH12 ARG A 24 -3.378 17.089 4.202 1.00 53.42 H new ATOM 0 HH21 ARG A 24 -5.265 14.592 2.703 1.00 71.25 H new ATOM 0 HH22 ARG A 24 -4.928 16.323 2.799 1.00 71.25 H new ATOM 378 N VAL A 25 -2.624 9.358 1.616 1.00 54.32 N ATOM 379 CA VAL A 25 -2.440 9.064 0.195 1.00 32.43 C ATOM 380 C VAL A 25 -2.027 10.325 -0.576 1.00 5.30 C ATOM 381 O VAL A 25 -2.843 11.219 -0.806 1.00 42.24 O ATOM 382 CB VAL A 25 -3.733 8.489 -0.436 1.00 30.41 C ATOM 383 CG1 VAL A 25 -3.515 8.150 -1.908 1.00 43.53 C ATOM 384 CG2 VAL A 25 -4.215 7.267 0.341 1.00 72.32 C ATOM 0 H VAL A 25 -3.586 9.268 1.943 1.00 54.32 H new ATOM 0 HA VAL A 25 -1.649 8.318 0.124 1.00 32.43 H new ATOM 0 HB VAL A 25 -4.508 9.253 -0.380 1.00 30.41 H new ATOM 0 HG11 VAL A 25 -4.437 7.748 -2.329 1.00 43.53 H new ATOM 0 HG12 VAL A 25 -3.231 9.052 -2.451 1.00 43.53 H new ATOM 0 HG13 VAL A 25 -2.722 7.408 -1.997 1.00 43.53 H new ATOM 0 HG21 VAL A 25 -5.124 6.879 -0.119 1.00 72.32 H new ATOM 0 HG22 VAL A 25 -3.443 6.498 0.325 1.00 72.32 H new ATOM 0 HG23 VAL A 25 -4.423 7.551 1.373 1.00 72.32 H new ATOM 394 N MET A 26 -0.761 10.398 -0.968 1.00 74.35 N ATOM 395 CA MET A 26 -0.255 11.551 -1.715 1.00 25.51 C ATOM 396 C MET A 26 -0.288 11.294 -3.224 1.00 12.43 C ATOM 397 O MET A 26 -0.665 12.172 -4.000 1.00 53.14 O ATOM 398 CB MET A 26 1.172 11.894 -1.268 1.00 44.34 C ATOM 399 CG MET A 26 1.756 13.132 -1.938 1.00 52.45 C ATOM 400 SD MET A 26 3.331 13.633 -1.210 1.00 0.32 S ATOM 401 CE MET A 26 4.309 12.150 -1.442 1.00 14.44 C ATOM 0 H MET A 26 -0.064 9.676 -0.783 1.00 74.35 H new ATOM 0 HA MET A 26 -0.907 12.398 -1.502 1.00 25.51 H new ATOM 0 HB2 MET A 26 1.177 12.043 -0.188 1.00 44.34 H new ATOM 0 HB3 MET A 26 1.820 11.043 -1.475 1.00 44.34 H new ATOM 0 HG2 MET A 26 1.897 12.934 -3.001 1.00 52.45 H new ATOM 0 HG3 MET A 26 1.045 13.954 -1.859 1.00 52.45 H new ATOM 0 HE1 MET A 26 5.363 12.382 -1.293 1.00 14.44 H new ATOM 0 HE2 MET A 26 3.999 11.393 -0.722 1.00 14.44 H new ATOM 0 HE3 MET A 26 4.161 11.771 -2.453 1.00 14.44 H new ATOM 411 N LYS A 27 0.115 10.091 -3.640 1.00 32.01 N ATOM 412 CA LYS A 27 0.161 9.739 -5.068 1.00 25.34 C ATOM 413 C LYS A 27 -0.465 8.363 -5.340 1.00 21.33 C ATOM 414 O LYS A 27 -0.179 7.392 -4.643 1.00 40.23 O ATOM 415 CB LYS A 27 1.612 9.739 -5.579 1.00 1.13 C ATOM 416 CG LYS A 27 2.382 11.028 -5.302 1.00 54.33 C ATOM 417 CD LYS A 27 1.706 12.268 -5.894 1.00 2.42 C ATOM 418 CE LYS A 27 1.710 12.280 -7.425 1.00 62.35 C ATOM 419 NZ LYS A 27 0.700 11.349 -8.011 1.00 12.25 N ATOM 0 H LYS A 27 0.414 9.344 -3.013 1.00 32.01 H new ATOM 0 HA LYS A 27 -0.419 10.494 -5.598 1.00 25.34 H new ATOM 0 HB2 LYS A 27 2.145 8.907 -5.120 1.00 1.13 H new ATOM 0 HB3 LYS A 27 1.605 9.559 -6.654 1.00 1.13 H new ATOM 0 HG2 LYS A 27 2.487 11.158 -4.225 1.00 54.33 H new ATOM 0 HG3 LYS A 27 3.388 10.939 -5.712 1.00 54.33 H new ATOM 0 HD2 LYS A 27 0.677 12.318 -5.539 1.00 2.42 H new ATOM 0 HD3 LYS A 27 2.213 13.161 -5.528 1.00 2.42 H new ATOM 0 HE2 LYS A 27 1.512 13.292 -7.777 1.00 62.35 H new ATOM 0 HE3 LYS A 27 2.702 12.006 -7.784 1.00 62.35 H new ATOM 0 HZ1 LYS A 27 0.400 11.703 -8.942 1.00 12.25 H new ATOM 0 HZ2 LYS A 27 1.121 10.404 -8.120 1.00 12.25 H new ATOM 0 HZ3 LYS A 27 -0.125 11.290 -7.380 1.00 12.25 H new ATOM 433 N ILE A 28 -1.316 8.287 -6.362 1.00 40.42 N ATOM 434 CA ILE A 28 -1.893 7.011 -6.807 1.00 74.25 C ATOM 435 C ILE A 28 -1.451 6.680 -8.243 1.00 4.13 C ATOM 436 O ILE A 28 -1.712 7.445 -9.176 1.00 2.42 O ATOM 437 CB ILE A 28 -3.443 7.029 -6.744 1.00 0.35 C ATOM 438 CG1 ILE A 28 -3.918 7.269 -5.303 1.00 34.43 C ATOM 439 CG2 ILE A 28 -4.025 5.724 -7.293 1.00 41.15 C ATOM 440 CD1 ILE A 28 -5.424 7.356 -5.159 1.00 13.03 C ATOM 0 H ILE A 28 -1.625 9.095 -6.902 1.00 40.42 H new ATOM 0 HA ILE A 28 -1.525 6.244 -6.126 1.00 74.25 H new ATOM 0 HB ILE A 28 -3.801 7.848 -7.367 1.00 0.35 H new ATOM 0 HG12 ILE A 28 -3.548 6.462 -4.670 1.00 34.43 H new ATOM 0 HG13 ILE A 28 -3.474 8.193 -4.934 1.00 34.43 H new ATOM 0 HG21 ILE A 28 -5.113 5.760 -7.239 1.00 41.15 H new ATOM 0 HG22 ILE A 28 -3.717 5.597 -8.331 1.00 41.15 H new ATOM 0 HG23 ILE A 28 -3.659 4.885 -6.701 1.00 41.15 H new ATOM 0 HD11 ILE A 28 -5.680 7.526 -4.113 1.00 13.03 H new ATOM 0 HD12 ILE A 28 -5.800 8.181 -5.764 1.00 13.03 H new ATOM 0 HD13 ILE A 28 -5.876 6.423 -5.496 1.00 13.03 H new ATOM 452 N SER A 29 -0.776 5.545 -8.410 1.00 15.42 N ATOM 453 CA SER A 29 -0.311 5.098 -9.732 1.00 51.24 C ATOM 454 C SER A 29 -1.101 3.873 -10.216 1.00 62.42 C ATOM 455 O SER A 29 -1.422 2.981 -9.432 1.00 41.31 O ATOM 456 CB SER A 29 1.186 4.763 -9.684 1.00 4.11 C ATOM 457 OG SER A 29 1.953 5.877 -9.237 1.00 34.01 O ATOM 0 H SER A 29 -0.535 4.912 -7.647 1.00 15.42 H new ATOM 0 HA SER A 29 -0.477 5.913 -10.436 1.00 51.24 H new ATOM 0 HB2 SER A 29 1.350 3.916 -9.018 1.00 4.11 H new ATOM 0 HB3 SER A 29 1.525 4.460 -10.675 1.00 4.11 H new ATOM 0 HG SER A 29 2.902 5.633 -9.215 1.00 34.01 H new ATOM 463 N SER A 30 -1.398 3.833 -11.514 1.00 35.43 N ATOM 464 CA SER A 30 -2.209 2.752 -12.104 1.00 31.44 C ATOM 465 C SER A 30 -1.497 1.386 -12.049 1.00 74.42 C ATOM 466 O SER A 30 -0.264 1.313 -12.033 1.00 42.11 O ATOM 467 CB SER A 30 -2.567 3.086 -13.563 1.00 70.51 C ATOM 468 OG SER A 30 -3.318 4.292 -13.653 1.00 75.30 O ATOM 0 H SER A 30 -1.091 4.537 -12.185 1.00 35.43 H new ATOM 0 HA SER A 30 -3.118 2.677 -11.507 1.00 31.44 H new ATOM 0 HB2 SER A 30 -1.654 3.180 -14.150 1.00 70.51 H new ATOM 0 HB3 SER A 30 -3.141 2.266 -13.995 1.00 70.51 H new ATOM 0 HG SER A 30 -3.528 4.477 -14.592 1.00 75.30 H new ATOM 474 N PRO A 31 -2.274 0.280 -12.027 1.00 72.33 N ATOM 475 CA PRO A 31 -1.725 -1.091 -11.962 1.00 43.12 C ATOM 476 C PRO A 31 -0.891 -1.478 -13.199 1.00 12.30 C ATOM 477 O PRO A 31 -1.266 -1.189 -14.336 1.00 74.42 O ATOM 478 CB PRO A 31 -2.982 -1.978 -11.870 1.00 63.03 C ATOM 479 CG PRO A 31 -4.077 -1.142 -12.442 1.00 43.04 C ATOM 480 CD PRO A 31 -3.752 0.273 -12.053 1.00 1.55 C ATOM 0 HA PRO A 31 -1.037 -1.198 -11.124 1.00 43.12 H new ATOM 0 HB2 PRO A 31 -2.856 -2.904 -12.432 1.00 63.03 H new ATOM 0 HB3 PRO A 31 -3.195 -2.258 -10.838 1.00 63.03 H new ATOM 0 HG2 PRO A 31 -4.126 -1.249 -13.526 1.00 43.04 H new ATOM 0 HG3 PRO A 31 -5.047 -1.444 -12.047 1.00 43.04 H new ATOM 0 HD2 PRO A 31 -4.146 0.990 -12.773 1.00 1.55 H new ATOM 0 HD3 PRO A 31 -4.174 0.532 -11.082 1.00 1.55 H new ATOM 488 N ARG A 32 0.244 -2.130 -12.961 1.00 52.54 N ATOM 489 CA ARG A 32 1.079 -2.679 -14.035 1.00 54.13 C ATOM 490 C ARG A 32 0.852 -4.198 -14.141 1.00 14.21 C ATOM 491 O ARG A 32 1.059 -4.931 -13.172 1.00 62.13 O ATOM 492 CB ARG A 32 2.558 -2.372 -13.754 1.00 51.35 C ATOM 493 CG ARG A 32 3.502 -2.729 -14.901 1.00 23.21 C ATOM 494 CD ARG A 32 4.948 -2.357 -14.577 1.00 24.24 C ATOM 495 NE ARG A 32 5.841 -2.574 -15.714 1.00 45.01 N ATOM 496 CZ ARG A 32 7.037 -2.056 -15.822 1.00 72.55 C ATOM 497 NH1 ARG A 32 7.532 -1.327 -14.874 1.00 43.41 N ATOM 498 NH2 ARG A 32 7.737 -2.274 -16.887 1.00 42.04 N ATOM 0 H ARG A 32 0.613 -2.294 -12.024 1.00 52.54 H new ATOM 0 HA ARG A 32 0.803 -2.217 -14.983 1.00 54.13 H new ATOM 0 HB2 ARG A 32 2.661 -1.310 -13.531 1.00 51.35 H new ATOM 0 HB3 ARG A 32 2.867 -2.916 -12.862 1.00 51.35 H new ATOM 0 HG2 ARG A 32 3.438 -3.798 -15.106 1.00 23.21 H new ATOM 0 HG3 ARG A 32 3.187 -2.211 -15.807 1.00 23.21 H new ATOM 0 HD2 ARG A 32 4.994 -1.310 -14.276 1.00 24.24 H new ATOM 0 HD3 ARG A 32 5.292 -2.948 -13.728 1.00 24.24 H new ATOM 0 HE ARG A 32 5.509 -3.169 -16.473 1.00 45.01 H new ATOM 0 HH11 ARG A 32 6.988 -1.150 -14.029 1.00 43.41 H new ATOM 0 HH12 ARG A 32 8.466 -0.929 -14.971 1.00 43.41 H new ATOM 0 HH21 ARG A 32 7.356 -2.848 -17.639 1.00 42.04 H new ATOM 0 HH22 ARG A 32 8.670 -1.872 -16.975 1.00 42.04 H new ATOM 512 N THR A 33 0.419 -4.662 -15.311 1.00 54.13 N ATOM 513 CA THR A 33 0.046 -6.075 -15.496 1.00 62.42 C ATOM 514 C THR A 33 1.258 -6.939 -15.884 1.00 23.15 C ATOM 515 O THR A 33 2.153 -6.481 -16.599 1.00 0.24 O ATOM 516 CB THR A 33 -1.046 -6.227 -16.590 1.00 13.51 C ATOM 517 OG1 THR A 33 -2.034 -5.189 -16.455 1.00 60.20 O ATOM 518 CG2 THR A 33 -1.743 -7.582 -16.503 1.00 31.32 C ATOM 0 H THR A 33 0.316 -4.087 -16.147 1.00 54.13 H new ATOM 0 HA THR A 33 -0.344 -6.420 -14.538 1.00 62.42 H new ATOM 0 HB THR A 33 -0.549 -6.149 -17.557 1.00 13.51 H new ATOM 0 HG1 THR A 33 -2.716 -5.294 -17.151 1.00 60.20 H new ATOM 0 HG21 THR A 33 -2.500 -7.652 -17.284 1.00 31.32 H new ATOM 0 HG22 THR A 33 -1.010 -8.378 -16.636 1.00 31.32 H new ATOM 0 HG23 THR A 33 -2.217 -7.685 -15.527 1.00 31.32 H new ATOM 526 N PHE A 34 1.283 -8.185 -15.413 1.00 63.51 N ATOM 527 CA PHE A 34 2.368 -9.123 -15.733 1.00 32.32 C ATOM 528 C PHE A 34 1.841 -10.563 -15.880 1.00 43.03 C ATOM 529 O PHE A 34 0.736 -10.878 -15.446 1.00 1.23 O ATOM 530 CB PHE A 34 3.476 -9.058 -14.665 1.00 74.31 C ATOM 531 CG PHE A 34 3.015 -9.372 -13.259 1.00 4.13 C ATOM 532 CD1 PHE A 34 2.948 -10.686 -12.808 1.00 44.45 C ATOM 533 CD2 PHE A 34 2.662 -8.353 -12.381 1.00 52.11 C ATOM 534 CE1 PHE A 34 2.535 -10.974 -11.521 1.00 65.42 C ATOM 535 CE2 PHE A 34 2.252 -8.640 -11.093 1.00 11.13 C ATOM 536 CZ PHE A 34 2.188 -9.950 -10.664 1.00 14.45 C ATOM 0 H PHE A 34 0.562 -8.574 -14.805 1.00 63.51 H new ATOM 0 HA PHE A 34 2.792 -8.824 -16.692 1.00 32.32 H new ATOM 0 HB2 PHE A 34 4.267 -9.756 -14.938 1.00 74.31 H new ATOM 0 HB3 PHE A 34 3.914 -8.060 -14.675 1.00 74.31 H new ATOM 0 HD1 PHE A 34 3.222 -11.492 -13.472 1.00 44.45 H new ATOM 0 HD2 PHE A 34 2.709 -7.325 -12.710 1.00 52.11 H new ATOM 0 HE1 PHE A 34 2.484 -12.000 -11.186 1.00 65.42 H new ATOM 0 HE2 PHE A 34 1.981 -7.838 -10.422 1.00 11.13 H new ATOM 0 HZ PHE A 34 1.866 -10.174 -9.658 1.00 14.45 H new ATOM 666 N GLY A 42 -2.612 -10.887 -13.098 1.00 64.24 N ATOM 667 CA GLY A 42 -1.376 -10.463 -12.435 1.00 4.55 C ATOM 668 C GLY A 42 -1.109 -8.959 -12.552 1.00 61.21 C ATOM 669 O GLY A 42 -0.886 -8.446 -13.643 1.00 55.43 O ATOM 0 HA2 GLY A 42 -1.426 -10.735 -11.381 1.00 4.55 H new ATOM 0 HA3 GLY A 42 -0.536 -11.008 -12.865 1.00 4.55 H new ATOM 673 N LYS A 43 -1.115 -8.244 -11.425 1.00 32.40 N ATOM 674 CA LYS A 43 -0.938 -6.780 -11.432 1.00 44.35 C ATOM 675 C LYS A 43 -0.209 -6.290 -10.176 1.00 40.44 C ATOM 676 O LYS A 43 -0.290 -6.910 -9.115 1.00 3.20 O ATOM 677 CB LYS A 43 -2.298 -6.063 -11.527 1.00 43.25 C ATOM 678 CG LYS A 43 -2.995 -6.202 -12.876 1.00 11.42 C ATOM 679 CD LYS A 43 -4.422 -5.661 -12.830 1.00 74.51 C ATOM 680 CE LYS A 43 -5.093 -5.714 -14.196 1.00 3.43 C ATOM 681 NZ LYS A 43 -6.536 -5.367 -14.121 1.00 54.25 N ATOM 0 H LYS A 43 -1.240 -8.648 -10.497 1.00 32.40 H new ATOM 0 HA LYS A 43 -0.333 -6.542 -12.307 1.00 44.35 H new ATOM 0 HB2 LYS A 43 -2.956 -6.455 -10.751 1.00 43.25 H new ATOM 0 HB3 LYS A 43 -2.151 -5.004 -11.316 1.00 43.25 H new ATOM 0 HG2 LYS A 43 -2.427 -5.667 -13.637 1.00 11.42 H new ATOM 0 HG3 LYS A 43 -3.012 -7.251 -13.171 1.00 11.42 H new ATOM 0 HD2 LYS A 43 -5.007 -6.240 -12.115 1.00 74.51 H new ATOM 0 HD3 LYS A 43 -4.409 -4.632 -12.472 1.00 74.51 H new ATOM 0 HE2 LYS A 43 -4.589 -5.025 -14.874 1.00 3.43 H new ATOM 0 HE3 LYS A 43 -4.982 -6.714 -14.616 1.00 3.43 H new ATOM 0 HZ1 LYS A 43 -6.955 -5.415 -15.072 1.00 54.25 H new ATOM 0 HZ2 LYS A 43 -7.023 -6.039 -13.494 1.00 54.25 H new ATOM 0 HZ3 LYS A 43 -6.642 -4.403 -13.744 1.00 54.25 H new ATOM 695 N LEU A 44 0.505 -5.176 -10.311 1.00 43.51 N ATOM 696 CA LEU A 44 1.115 -4.490 -9.166 1.00 12.53 C ATOM 697 C LEU A 44 0.936 -2.966 -9.296 1.00 45.01 C ATOM 698 O LEU A 44 1.227 -2.380 -10.339 1.00 74.24 O ATOM 699 CB LEU A 44 2.602 -4.888 -9.027 1.00 0.00 C ATOM 700 CG LEU A 44 3.507 -4.642 -10.259 1.00 71.01 C ATOM 701 CD1 LEU A 44 4.099 -3.229 -10.251 1.00 44.43 C ATOM 702 CD2 LEU A 44 4.622 -5.687 -10.331 1.00 11.40 C ATOM 0 H LEU A 44 0.679 -4.723 -11.208 1.00 43.51 H new ATOM 0 HA LEU A 44 0.608 -4.802 -8.253 1.00 12.53 H new ATOM 0 HB2 LEU A 44 3.022 -4.343 -8.182 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.648 -5.948 -8.777 1.00 0.00 H new ATOM 0 HG LEU A 44 2.882 -4.737 -11.147 1.00 71.01 H new ATOM 0 HD11 LEU A 44 4.728 -3.093 -11.131 1.00 44.43 H new ATOM 0 HD12 LEU A 44 3.292 -2.496 -10.266 1.00 44.43 H new ATOM 0 HD13 LEU A 44 4.698 -3.091 -9.351 1.00 44.43 H new ATOM 0 HD21 LEU A 44 5.245 -5.494 -11.204 1.00 11.40 H new ATOM 0 HD22 LEU A 44 5.233 -5.630 -9.430 1.00 11.40 H new ATOM 0 HD23 LEU A 44 4.184 -6.682 -10.410 1.00 11.40 H new ATOM 714 N ALA A 45 0.421 -2.332 -8.249 1.00 32.52 N ATOM 715 CA ALA A 45 0.157 -0.889 -8.263 1.00 33.20 C ATOM 716 C ALA A 45 0.967 -0.160 -7.183 1.00 2.40 C ATOM 717 O ALA A 45 1.242 -0.717 -6.120 1.00 32.12 O ATOM 718 CB ALA A 45 -1.334 -0.626 -8.075 1.00 35.51 C ATOM 0 H ALA A 45 0.175 -2.793 -7.373 1.00 32.52 H new ATOM 0 HA ALA A 45 0.469 -0.500 -9.232 1.00 33.20 H new ATOM 0 HB1 ALA A 45 -1.518 0.448 -8.087 1.00 35.51 H new ATOM 0 HB2 ALA A 45 -1.892 -1.099 -8.883 1.00 35.51 H new ATOM 0 HB3 ALA A 45 -1.659 -1.039 -7.120 1.00 35.51 H new ATOM 724 N ASN A 46 1.337 1.089 -7.460 1.00 21.52 N ATOM 725 CA ASN A 46 2.138 1.890 -6.525 1.00 5.14 C ATOM 726 C ASN A 46 1.339 3.077 -5.964 1.00 52.55 C ATOM 727 O ASN A 46 1.006 4.016 -6.690 1.00 22.52 O ATOM 728 CB ASN A 46 3.409 2.406 -7.218 1.00 72.43 C ATOM 729 CG ASN A 46 4.371 1.291 -7.588 1.00 32.13 C ATOM 730 OD1 ASN A 46 5.258 0.937 -6.817 1.00 73.10 O ATOM 731 ND2 ASN A 46 4.211 0.729 -8.770 1.00 11.40 N ATOM 0 H ASN A 46 1.096 1.573 -8.325 1.00 21.52 H new ATOM 0 HA ASN A 46 2.412 1.242 -5.693 1.00 5.14 H new ATOM 0 HB2 ASN A 46 3.130 2.953 -8.119 1.00 72.43 H new ATOM 0 HB3 ASN A 46 3.915 3.113 -6.560 1.00 72.43 H new ATOM 0 HD21 ASN A 46 4.834 -0.022 -9.066 1.00 11.40 H new ATOM 0 HD22 ASN A 46 3.464 1.046 -9.388 1.00 11.40 H new ATOM 738 N VAL A 47 1.029 3.024 -4.674 1.00 52.51 N ATOM 739 CA VAL A 47 0.372 4.138 -3.982 1.00 52.23 C ATOM 740 C VAL A 47 1.317 4.753 -2.940 1.00 10.13 C ATOM 741 O VAL A 47 1.718 4.089 -1.986 1.00 30.31 O ATOM 742 CB VAL A 47 -0.942 3.686 -3.290 1.00 63.31 C ATOM 743 CG1 VAL A 47 -1.593 4.847 -2.536 1.00 61.11 C ATOM 744 CG2 VAL A 47 -1.911 3.094 -4.314 1.00 74.33 C ATOM 0 H VAL A 47 1.222 2.218 -4.079 1.00 52.51 H new ATOM 0 HA VAL A 47 0.122 4.887 -4.734 1.00 52.23 H new ATOM 0 HB VAL A 47 -0.694 2.912 -2.563 1.00 63.31 H new ATOM 0 HG11 VAL A 47 -2.512 4.503 -2.061 1.00 61.11 H new ATOM 0 HG12 VAL A 47 -0.907 5.216 -1.774 1.00 61.11 H new ATOM 0 HG13 VAL A 47 -1.825 5.650 -3.235 1.00 61.11 H new ATOM 0 HG21 VAL A 47 -2.826 2.783 -3.811 1.00 74.33 H new ATOM 0 HG22 VAL A 47 -2.148 3.845 -5.067 1.00 74.33 H new ATOM 0 HG23 VAL A 47 -1.450 2.231 -4.795 1.00 74.33 H new ATOM 754 N ILE A 48 1.666 6.021 -3.121 1.00 15.42 N ATOM 755 CA ILE A 48 2.621 6.689 -2.229 1.00 33.12 C ATOM 756 C ILE A 48 1.903 7.409 -1.081 1.00 34.24 C ATOM 757 O ILE A 48 1.189 8.394 -1.295 1.00 22.10 O ATOM 758 CB ILE A 48 3.495 7.711 -3.001 1.00 44.51 C ATOM 759 CG1 ILE A 48 4.234 7.026 -4.165 1.00 42.45 C ATOM 760 CG2 ILE A 48 4.487 8.399 -2.059 1.00 34.03 C ATOM 761 CD1 ILE A 48 5.190 5.930 -3.736 1.00 50.01 C ATOM 0 H ILE A 48 1.307 6.610 -3.872 1.00 15.42 H new ATOM 0 HA ILE A 48 3.263 5.911 -1.816 1.00 33.12 H new ATOM 0 HB ILE A 48 2.837 8.474 -3.417 1.00 44.51 H new ATOM 0 HG12 ILE A 48 3.498 6.603 -4.849 1.00 42.45 H new ATOM 0 HG13 ILE A 48 4.790 7.780 -4.721 1.00 42.45 H new ATOM 0 HG21 ILE A 48 5.089 9.112 -2.622 1.00 34.03 H new ATOM 0 HG22 ILE A 48 3.940 8.925 -1.276 1.00 34.03 H new ATOM 0 HG23 ILE A 48 5.138 7.651 -1.607 1.00 34.03 H new ATOM 0 HD11 ILE A 48 5.669 5.500 -4.616 1.00 50.01 H new ATOM 0 HD12 ILE A 48 5.951 6.348 -3.077 1.00 50.01 H new ATOM 0 HD13 ILE A 48 4.639 5.153 -3.207 1.00 50.01 H new ATOM 773 N ILE A 49 2.100 6.908 0.137 1.00 60.54 N ATOM 774 CA ILE A 49 1.502 7.504 1.336 1.00 32.33 C ATOM 775 C ILE A 49 2.562 8.236 2.172 1.00 31.11 C ATOM 776 O ILE A 49 3.722 7.826 2.223 1.00 22.31 O ATOM 777 CB ILE A 49 0.800 6.433 2.216 1.00 34.22 C ATOM 778 CG1 ILE A 49 1.800 5.352 2.667 1.00 74.03 C ATOM 779 CG2 ILE A 49 -0.372 5.806 1.459 1.00 54.40 C ATOM 780 CD1 ILE A 49 1.207 4.304 3.589 1.00 62.50 C ATOM 0 H ILE A 49 2.673 6.085 0.323 1.00 60.54 H new ATOM 0 HA ILE A 49 0.754 8.221 0.997 1.00 32.33 H new ATOM 0 HB ILE A 49 0.411 6.924 3.108 1.00 34.22 H new ATOM 0 HG12 ILE A 49 2.205 4.856 1.785 1.00 74.03 H new ATOM 0 HG13 ILE A 49 2.636 5.835 3.173 1.00 74.03 H new ATOM 0 HG21 ILE A 49 -0.853 5.058 2.089 1.00 54.40 H new ATOM 0 HG22 ILE A 49 -1.094 6.581 1.200 1.00 54.40 H new ATOM 0 HG23 ILE A 49 -0.005 5.332 0.548 1.00 54.40 H new ATOM 0 HD11 ILE A 49 1.976 3.581 3.860 1.00 62.50 H new ATOM 0 HD12 ILE A 49 0.828 4.785 4.491 1.00 62.50 H new ATOM 0 HD13 ILE A 49 0.390 3.792 3.080 1.00 62.50 H new ATOM 792 N ALA A 50 2.166 9.325 2.820 1.00 63.24 N ATOM 793 CA ALA A 50 3.096 10.130 3.616 1.00 1.11 C ATOM 794 C ALA A 50 2.581 10.362 5.042 1.00 4.03 C ATOM 795 O ALA A 50 1.474 10.867 5.245 1.00 41.50 O ATOM 796 CB ALA A 50 3.358 11.463 2.920 1.00 42.30 C ATOM 0 H ALA A 50 1.208 9.674 2.812 1.00 63.24 H new ATOM 0 HA ALA A 50 4.030 9.574 3.697 1.00 1.11 H new ATOM 0 HB1 ALA A 50 4.050 12.056 3.518 1.00 42.30 H new ATOM 0 HB2 ALA A 50 3.792 11.281 1.937 1.00 42.30 H new ATOM 0 HB3 ALA A 50 2.419 12.005 2.808 1.00 42.30 H new ATOM 802 N ASP A 51 3.388 9.978 6.025 1.00 12.21 N ATOM 803 CA ASP A 51 3.090 10.218 7.441 1.00 24.55 C ATOM 804 C ASP A 51 4.042 11.288 8.003 1.00 53.21 C ATOM 805 O ASP A 51 5.089 11.564 7.411 1.00 35.33 O ATOM 806 CB ASP A 51 3.233 8.903 8.222 1.00 63.12 C ATOM 807 CG ASP A 51 2.933 9.058 9.701 1.00 52.13 C ATOM 808 OD1 ASP A 51 1.757 9.255 10.058 1.00 65.31 O ATOM 809 OD2 ASP A 51 3.880 8.999 10.511 1.00 71.13 O ATOM 0 H ASP A 51 4.270 9.490 5.867 1.00 12.21 H new ATOM 0 HA ASP A 51 2.067 10.580 7.543 1.00 24.55 H new ATOM 0 HB2 ASP A 51 2.560 8.159 7.796 1.00 63.12 H new ATOM 0 HB3 ASP A 51 4.247 8.523 8.100 1.00 63.12 H new ATOM 814 N ASP A 52 3.700 11.889 9.143 1.00 53.11 N ATOM 815 CA ASP A 52 4.531 12.954 9.725 1.00 14.42 C ATOM 816 C ASP A 52 5.926 12.441 10.144 1.00 63.25 C ATOM 817 O ASP A 52 6.846 13.233 10.367 1.00 53.01 O ATOM 818 CB ASP A 52 3.815 13.614 10.911 1.00 31.14 C ATOM 819 CG ASP A 52 3.444 12.629 12.004 1.00 40.24 C ATOM 820 OD1 ASP A 52 2.341 12.049 11.937 1.00 12.31 O ATOM 821 OD2 ASP A 52 4.241 12.440 12.945 1.00 14.12 O ATOM 0 H ASP A 52 2.863 11.663 9.680 1.00 53.11 H new ATOM 0 HA ASP A 52 4.684 13.704 8.949 1.00 14.42 H new ATOM 0 HB2 ASP A 52 4.457 14.388 11.330 1.00 31.14 H new ATOM 0 HB3 ASP A 52 2.912 14.108 10.553 1.00 31.14 H new ATOM 826 N THR A 53 6.081 11.121 10.243 1.00 20.15 N ATOM 827 CA THR A 53 7.380 10.520 10.594 1.00 33.44 C ATOM 828 C THR A 53 8.172 10.056 9.357 1.00 0.44 C ATOM 829 O THR A 53 9.375 9.810 9.448 1.00 34.43 O ATOM 830 CB THR A 53 7.219 9.307 11.543 1.00 43.41 C ATOM 831 OG1 THR A 53 6.582 8.214 10.859 1.00 23.20 O ATOM 832 CG2 THR A 53 6.408 9.674 12.781 1.00 74.14 C ATOM 0 H THR A 53 5.332 10.446 10.087 1.00 20.15 H new ATOM 0 HA THR A 53 7.933 11.314 11.096 1.00 33.44 H new ATOM 0 HB THR A 53 8.217 9.004 11.860 1.00 43.41 H new ATOM 0 HG1 THR A 53 5.637 8.427 10.710 1.00 23.20 H new ATOM 0 HG21 THR A 53 6.314 8.801 13.426 1.00 74.14 H new ATOM 0 HG22 THR A 53 6.914 10.473 13.323 1.00 74.14 H new ATOM 0 HG23 THR A 53 5.416 10.011 12.480 1.00 74.14 H new ATOM 840 N GLY A 54 7.510 9.943 8.202 1.00 1.30 N ATOM 841 CA GLY A 54 8.183 9.427 7.007 1.00 4.34 C ATOM 842 C GLY A 54 7.226 9.071 5.869 1.00 23.23 C ATOM 843 O GLY A 54 6.013 9.023 6.063 1.00 21.42 O ATOM 0 H GLY A 54 6.531 10.196 8.069 1.00 1.30 H new ATOM 0 HA2 GLY A 54 8.895 10.172 6.652 1.00 4.34 H new ATOM 0 HA3 GLY A 54 8.757 8.541 7.278 1.00 4.34 H new ATOM 847 N GLU A 55 7.776 8.837 4.677 1.00 14.33 N ATOM 848 CA GLU A 55 6.974 8.476 3.493 1.00 74.01 C ATOM 849 C GLU A 55 7.149 6.987 3.120 1.00 2.10 C ATOM 850 O GLU A 55 8.214 6.404 3.330 1.00 12.22 O ATOM 851 CB GLU A 55 7.378 9.365 2.307 1.00 42.43 C ATOM 852 CG GLU A 55 7.324 10.862 2.610 1.00 25.32 C ATOM 853 CD GLU A 55 7.788 11.718 1.441 1.00 11.01 C ATOM 854 OE1 GLU A 55 8.938 11.540 0.989 1.00 20.33 O ATOM 855 OE2 GLU A 55 7.009 12.567 0.961 1.00 75.53 O ATOM 0 H GLU A 55 8.779 8.890 4.499 1.00 14.33 H new ATOM 0 HA GLU A 55 5.923 8.636 3.734 1.00 74.01 H new ATOM 0 HB2 GLU A 55 8.390 9.103 1.997 1.00 42.43 H new ATOM 0 HB3 GLU A 55 6.721 9.151 1.464 1.00 42.43 H new ATOM 0 HG2 GLU A 55 6.303 11.138 2.874 1.00 25.32 H new ATOM 0 HG3 GLU A 55 7.946 11.075 3.479 1.00 25.32 H new ATOM 862 N LEU A 56 6.105 6.379 2.546 1.00 44.21 N ATOM 863 CA LEU A 56 6.118 4.941 2.221 1.00 40.23 C ATOM 864 C LEU A 56 5.442 4.641 0.868 1.00 31.25 C ATOM 865 O LEU A 56 4.530 5.348 0.438 1.00 11.23 O ATOM 866 CB LEU A 56 5.404 4.148 3.332 1.00 21.25 C ATOM 867 CG LEU A 56 5.443 2.616 3.186 1.00 14.01 C ATOM 868 CD1 LEU A 56 6.856 2.087 3.403 1.00 32.44 C ATOM 869 CD2 LEU A 56 4.465 1.950 4.149 1.00 14.32 C ATOM 0 H LEU A 56 5.239 6.856 2.296 1.00 44.21 H new ATOM 0 HA LEU A 56 7.162 4.636 2.147 1.00 40.23 H new ATOM 0 HB2 LEU A 56 5.851 4.415 4.289 1.00 21.25 H new ATOM 0 HB3 LEU A 56 4.362 4.465 3.368 1.00 21.25 H new ATOM 0 HG LEU A 56 5.138 2.368 2.169 1.00 14.01 H new ATOM 0 HD11 LEU A 56 6.859 1.002 3.295 1.00 32.44 H new ATOM 0 HD12 LEU A 56 7.527 2.527 2.665 1.00 32.44 H new ATOM 0 HD13 LEU A 56 7.194 2.353 4.405 1.00 32.44 H new ATOM 0 HD21 LEU A 56 4.512 0.868 4.025 1.00 14.32 H new ATOM 0 HD22 LEU A 56 4.730 2.210 5.174 1.00 14.32 H new ATOM 0 HD23 LEU A 56 3.453 2.295 3.937 1.00 14.32 H new ATOM 881 N ARG A 57 5.903 3.577 0.204 1.00 62.43 N ATOM 882 CA ARG A 57 5.309 3.108 -1.057 1.00 14.10 C ATOM 883 C ARG A 57 4.443 1.851 -0.835 1.00 50.23 C ATOM 884 O ARG A 57 4.963 0.771 -0.577 1.00 1.01 O ATOM 885 CB ARG A 57 6.418 2.787 -2.074 1.00 61.32 C ATOM 886 CG ARG A 57 5.902 2.224 -3.397 1.00 62.41 C ATOM 887 CD ARG A 57 7.039 1.729 -4.287 1.00 73.31 C ATOM 888 NE ARG A 57 7.991 2.789 -4.616 1.00 10.12 N ATOM 889 CZ ARG A 57 8.135 3.304 -5.806 1.00 74.03 C ATOM 890 NH1 ARG A 57 7.408 2.892 -6.797 1.00 23.41 N ATOM 891 NH2 ARG A 57 9.022 4.225 -5.997 1.00 53.23 N ATOM 0 H ARG A 57 6.694 3.017 0.521 1.00 62.43 H new ATOM 0 HA ARG A 57 4.672 3.905 -1.442 1.00 14.10 H new ATOM 0 HB2 ARG A 57 6.987 3.695 -2.274 1.00 61.32 H new ATOM 0 HB3 ARG A 57 7.108 2.070 -1.630 1.00 61.32 H new ATOM 0 HG2 ARG A 57 5.213 1.403 -3.198 1.00 62.41 H new ATOM 0 HG3 ARG A 57 5.338 2.994 -3.924 1.00 62.41 H new ATOM 0 HD2 ARG A 57 7.563 0.917 -3.784 1.00 73.31 H new ATOM 0 HD3 ARG A 57 6.624 1.319 -5.208 1.00 73.31 H new ATOM 0 HE ARG A 57 8.581 3.149 -3.866 1.00 10.12 H new ATOM 0 HH11 ARG A 57 6.715 2.158 -6.651 1.00 23.41 H new ATOM 0 HH12 ARG A 57 7.529 3.302 -7.723 1.00 23.41 H new ATOM 0 HH21 ARG A 57 9.602 4.543 -5.221 1.00 53.23 H new ATOM 0 HH22 ARG A 57 9.142 4.633 -6.924 1.00 53.23 H new ATOM 905 N ALA A 58 3.128 1.993 -0.938 1.00 11.13 N ATOM 906 CA ALA A 58 2.211 0.854 -0.802 1.00 50.42 C ATOM 907 C ALA A 58 2.073 0.081 -2.127 1.00 65.12 C ATOM 908 O ALA A 58 1.676 0.649 -3.147 1.00 75.51 O ATOM 909 CB ALA A 58 0.850 1.342 -0.328 1.00 32.23 C ATOM 0 H ALA A 58 2.666 2.885 -1.116 1.00 11.13 H new ATOM 0 HA ALA A 58 2.626 0.169 -0.063 1.00 50.42 H new ATOM 0 HB1 ALA A 58 0.173 0.493 -0.229 1.00 32.23 H new ATOM 0 HB2 ALA A 58 0.957 1.836 0.638 1.00 32.23 H new ATOM 0 HB3 ALA A 58 0.444 2.047 -1.053 1.00 32.23 H new ATOM 915 N VAL A 59 2.401 -1.210 -2.106 1.00 23.21 N ATOM 916 CA VAL A 59 2.335 -2.055 -3.307 1.00 64.14 C ATOM 917 C VAL A 59 1.042 -2.891 -3.341 1.00 24.45 C ATOM 918 O VAL A 59 0.895 -3.868 -2.598 1.00 0.44 O ATOM 919 CB VAL A 59 3.559 -3.006 -3.395 1.00 24.05 C ATOM 920 CG1 VAL A 59 3.521 -3.831 -4.684 1.00 33.50 C ATOM 921 CG2 VAL A 59 4.867 -2.218 -3.291 1.00 61.05 C ATOM 0 H VAL A 59 2.717 -1.699 -1.269 1.00 23.21 H new ATOM 0 HA VAL A 59 2.342 -1.381 -4.164 1.00 64.14 H new ATOM 0 HB VAL A 59 3.510 -3.697 -2.553 1.00 24.05 H new ATOM 0 HG11 VAL A 59 4.389 -4.489 -4.721 1.00 33.50 H new ATOM 0 HG12 VAL A 59 2.611 -4.430 -4.706 1.00 33.50 H new ATOM 0 HG13 VAL A 59 3.536 -3.162 -5.545 1.00 33.50 H new ATOM 0 HG21 VAL A 59 5.711 -2.904 -3.355 1.00 61.05 H new ATOM 0 HG22 VAL A 59 4.923 -1.497 -4.106 1.00 61.05 H new ATOM 0 HG23 VAL A 59 4.899 -1.691 -2.337 1.00 61.05 H new ATOM 931 N PHE A 60 0.105 -2.497 -4.205 1.00 31.31 N ATOM 932 CA PHE A 60 -1.172 -3.210 -4.352 1.00 20.45 C ATOM 933 C PHE A 60 -1.109 -4.261 -5.472 1.00 10.53 C ATOM 934 O PHE A 60 -1.122 -3.929 -6.658 1.00 13.03 O ATOM 935 CB PHE A 60 -2.316 -2.220 -4.631 1.00 74.44 C ATOM 936 CG PHE A 60 -2.722 -1.398 -3.434 1.00 34.34 C ATOM 937 CD1 PHE A 60 -1.896 -0.396 -2.945 1.00 23.14 C ATOM 938 CD2 PHE A 60 -3.935 -1.627 -2.798 1.00 72.22 C ATOM 939 CE1 PHE A 60 -2.272 0.359 -1.851 1.00 43.13 C ATOM 940 CE2 PHE A 60 -4.314 -0.873 -1.703 1.00 41.54 C ATOM 941 CZ PHE A 60 -3.481 0.120 -1.228 1.00 22.11 C ATOM 0 H PHE A 60 0.204 -1.687 -4.816 1.00 31.31 H new ATOM 0 HA PHE A 60 -1.365 -3.726 -3.412 1.00 20.45 H new ATOM 0 HB2 PHE A 60 -2.013 -1.548 -5.434 1.00 74.44 H new ATOM 0 HB3 PHE A 60 -3.183 -2.775 -4.989 1.00 74.44 H new ATOM 0 HD1 PHE A 60 -0.948 -0.204 -3.425 1.00 23.14 H new ATOM 0 HD2 PHE A 60 -4.590 -2.404 -3.163 1.00 72.22 H new ATOM 0 HE1 PHE A 60 -1.620 1.137 -1.483 1.00 43.13 H new ATOM 0 HE2 PHE A 60 -5.261 -1.061 -1.219 1.00 41.54 H new ATOM 0 HZ PHE A 60 -3.774 0.709 -0.371 1.00 22.11 H new ATOM 951 N TRP A 61 -1.026 -5.525 -5.080 1.00 3.13 N ATOM 952 CA TRP A 61 -1.038 -6.648 -6.025 1.00 12.03 C ATOM 953 C TRP A 61 -2.445 -6.877 -6.610 1.00 33.14 C ATOM 954 O TRP A 61 -3.432 -6.380 -6.070 1.00 74.11 O ATOM 955 CB TRP A 61 -0.520 -7.920 -5.342 1.00 43.20 C ATOM 956 CG TRP A 61 0.915 -7.813 -4.902 1.00 54.34 C ATOM 957 CD1 TRP A 61 1.377 -7.556 -3.642 1.00 44.41 C ATOM 958 CD2 TRP A 61 2.075 -7.938 -5.735 1.00 24.10 C ATOM 959 NE1 TRP A 61 2.752 -7.534 -3.641 1.00 30.33 N ATOM 960 CE2 TRP A 61 3.203 -7.761 -4.911 1.00 13.05 C ATOM 961 CE3 TRP A 61 2.271 -8.188 -7.096 1.00 33.02 C ATOM 962 CZ2 TRP A 61 4.502 -7.828 -5.406 1.00 32.44 C ATOM 963 CZ3 TRP A 61 3.562 -8.252 -7.585 1.00 72.32 C ATOM 964 CH2 TRP A 61 4.663 -8.071 -6.742 1.00 22.21 C ATOM 0 H TRP A 61 -0.949 -5.807 -4.103 1.00 3.13 H new ATOM 0 HA TRP A 61 -0.375 -6.399 -6.854 1.00 12.03 H new ATOM 0 HB2 TRP A 61 -1.144 -8.139 -4.475 1.00 43.20 H new ATOM 0 HB3 TRP A 61 -0.621 -8.761 -6.029 1.00 43.20 H new ATOM 0 HD1 TRP A 61 0.754 -7.394 -2.775 1.00 44.41 H new ATOM 0 HE1 TRP A 61 3.341 -7.374 -2.824 1.00 30.33 H new ATOM 0 HE3 TRP A 61 1.427 -8.329 -7.755 1.00 33.02 H new ATOM 0 HZ2 TRP A 61 5.354 -7.693 -4.757 1.00 32.44 H new ATOM 0 HZ3 TRP A 61 3.723 -8.445 -8.635 1.00 72.32 H new ATOM 0 HH2 TRP A 61 5.660 -8.124 -7.154 1.00 22.21 H new ATOM 975 N THR A 62 -2.523 -7.596 -7.736 1.00 24.42 N ATOM 976 CA THR A 62 -3.813 -7.879 -8.417 1.00 1.04 C ATOM 977 C THR A 62 -4.936 -8.289 -7.445 1.00 20.02 C ATOM 978 O THR A 62 -6.108 -7.974 -7.669 1.00 72.13 O ATOM 979 CB THR A 62 -3.667 -8.984 -9.494 1.00 1.02 C ATOM 980 OG1 THR A 62 -4.939 -9.266 -10.102 1.00 50.01 O ATOM 981 CG2 THR A 62 -3.096 -10.266 -8.899 1.00 55.21 C ATOM 0 H THR A 62 -1.711 -7.998 -8.204 1.00 24.42 H new ATOM 0 HA THR A 62 -4.092 -6.937 -8.888 1.00 1.04 H new ATOM 0 HB THR A 62 -2.976 -8.613 -10.251 1.00 1.02 H new ATOM 0 HG1 THR A 62 -4.830 -9.964 -10.781 1.00 50.01 H new ATOM 0 HG21 THR A 62 -3.006 -11.021 -9.680 1.00 55.21 H new ATOM 0 HG22 THR A 62 -2.112 -10.064 -8.475 1.00 55.21 H new ATOM 0 HG23 THR A 62 -3.761 -10.631 -8.116 1.00 55.21 H new ATOM 989 N GLU A 63 -4.572 -8.976 -6.365 1.00 2.10 N ATOM 990 CA GLU A 63 -5.546 -9.429 -5.365 1.00 53.13 C ATOM 991 C GLU A 63 -6.056 -8.264 -4.488 1.00 12.01 C ATOM 992 O GLU A 63 -7.163 -8.314 -3.955 1.00 23.14 O ATOM 993 CB GLU A 63 -4.917 -10.517 -4.481 1.00 42.11 C ATOM 994 CG GLU A 63 -4.324 -11.696 -5.258 1.00 1.45 C ATOM 995 CD GLU A 63 -5.346 -12.427 -6.119 1.00 31.12 C ATOM 996 OE1 GLU A 63 -6.189 -13.153 -5.557 1.00 0.44 O ATOM 997 OE2 GLU A 63 -5.305 -12.292 -7.360 1.00 11.34 O ATOM 0 H GLU A 63 -3.607 -9.234 -6.156 1.00 2.10 H new ATOM 0 HA GLU A 63 -6.404 -9.839 -5.898 1.00 53.13 H new ATOM 0 HB2 GLU A 63 -4.132 -10.066 -3.873 1.00 42.11 H new ATOM 0 HB3 GLU A 63 -5.675 -10.894 -3.794 1.00 42.11 H new ATOM 0 HG2 GLU A 63 -3.517 -11.333 -5.894 1.00 1.45 H new ATOM 0 HG3 GLU A 63 -3.883 -12.401 -4.553 1.00 1.45 H new ATOM 1004 N ASN A 64 -5.245 -7.217 -4.345 1.00 11.03 N ATOM 1005 CA ASN A 64 -5.609 -6.044 -3.530 1.00 35.53 C ATOM 1006 C ASN A 64 -6.113 -4.863 -4.384 1.00 2.31 C ATOM 1007 O ASN A 64 -6.509 -3.830 -3.841 1.00 61.42 O ATOM 1008 CB ASN A 64 -4.409 -5.590 -2.695 1.00 52.50 C ATOM 1009 CG ASN A 64 -3.965 -6.638 -1.695 1.00 62.40 C ATOM 1010 OD1 ASN A 64 -3.123 -7.478 -1.993 1.00 51.02 O ATOM 1011 ND2 ASN A 64 -4.524 -6.596 -0.502 1.00 35.44 N ATOM 0 H ASN A 64 -4.326 -7.151 -4.783 1.00 11.03 H new ATOM 0 HA ASN A 64 -6.426 -6.353 -2.879 1.00 35.53 H new ATOM 0 HB2 ASN A 64 -3.578 -5.352 -3.359 1.00 52.50 H new ATOM 0 HB3 ASN A 64 -4.666 -4.673 -2.165 1.00 52.50 H new ATOM 0 HD21 ASN A 64 -4.259 -7.277 0.209 1.00 35.44 H new ATOM 0 HD22 ASN A 64 -5.221 -5.882 -0.290 1.00 35.44 H new ATOM 1018 N ILE A 65 -6.099 -5.011 -5.713 1.00 51.24 N ATOM 1019 CA ILE A 65 -6.568 -3.944 -6.618 1.00 13.24 C ATOM 1020 C ILE A 65 -7.992 -3.476 -6.257 1.00 64.33 C ATOM 1021 O ILE A 65 -8.314 -2.291 -6.363 1.00 11.20 O ATOM 1022 CB ILE A 65 -6.537 -4.400 -8.104 1.00 65.35 C ATOM 1023 CG1 ILE A 65 -5.095 -4.696 -8.552 1.00 72.41 C ATOM 1024 CG2 ILE A 65 -7.179 -3.352 -9.017 1.00 74.53 C ATOM 1025 CD1 ILE A 65 -4.172 -3.495 -8.524 1.00 71.41 C ATOM 0 H ILE A 65 -5.771 -5.852 -6.188 1.00 51.24 H new ATOM 0 HA ILE A 65 -5.881 -3.108 -6.491 1.00 13.24 H new ATOM 0 HB ILE A 65 -7.119 -5.318 -8.184 1.00 65.35 H new ATOM 0 HG12 ILE A 65 -4.680 -5.473 -7.910 1.00 72.41 H new ATOM 0 HG13 ILE A 65 -5.117 -5.098 -9.565 1.00 72.41 H new ATOM 0 HG21 ILE A 65 -7.143 -3.698 -10.050 1.00 74.53 H new ATOM 0 HG22 ILE A 65 -8.217 -3.199 -8.722 1.00 74.53 H new ATOM 0 HG23 ILE A 65 -6.635 -2.412 -8.930 1.00 74.53 H new ATOM 0 HD11 ILE A 65 -3.177 -3.793 -8.854 1.00 71.41 H new ATOM 0 HD12 ILE A 65 -4.559 -2.723 -9.189 1.00 71.41 H new ATOM 0 HD13 ILE A 65 -4.115 -3.104 -7.508 1.00 71.41 H new ATOM 1037 N LYS A 66 -8.830 -4.410 -5.808 1.00 22.03 N ATOM 1038 CA LYS A 66 -10.217 -4.105 -5.421 1.00 21.21 C ATOM 1039 C LYS A 66 -10.308 -3.013 -4.331 1.00 40.11 C ATOM 1040 O LYS A 66 -11.350 -2.375 -4.174 1.00 42.41 O ATOM 1041 CB LYS A 66 -10.926 -5.380 -4.935 1.00 5.32 C ATOM 1042 CG LYS A 66 -10.266 -6.044 -3.725 1.00 61.03 C ATOM 1043 CD LYS A 66 -11.076 -7.243 -3.225 1.00 43.21 C ATOM 1044 CE LYS A 66 -10.412 -7.934 -2.038 1.00 53.13 C ATOM 1045 NZ LYS A 66 -9.119 -8.571 -2.409 1.00 21.12 N ATOM 0 H LYS A 66 -8.575 -5.392 -5.701 1.00 22.03 H new ATOM 0 HA LYS A 66 -10.713 -3.718 -6.311 1.00 21.21 H new ATOM 0 HB2 LYS A 66 -11.958 -5.134 -4.682 1.00 5.32 H new ATOM 0 HB3 LYS A 66 -10.961 -6.098 -5.755 1.00 5.32 H new ATOM 0 HG2 LYS A 66 -9.261 -6.370 -3.992 1.00 61.03 H new ATOM 0 HG3 LYS A 66 -10.162 -5.315 -2.922 1.00 61.03 H new ATOM 0 HD2 LYS A 66 -12.074 -6.911 -2.938 1.00 43.21 H new ATOM 0 HD3 LYS A 66 -11.200 -7.959 -4.037 1.00 43.21 H new ATOM 0 HE2 LYS A 66 -10.242 -7.206 -1.245 1.00 53.13 H new ATOM 0 HE3 LYS A 66 -11.086 -8.691 -1.637 1.00 53.13 H new ATOM 0 HZ1 LYS A 66 -8.579 -8.787 -1.547 1.00 21.12 H new ATOM 0 HZ2 LYS A 66 -9.303 -9.451 -2.932 1.00 21.12 H new ATOM 0 HZ3 LYS A 66 -8.571 -7.921 -3.008 1.00 21.12 H new ATOM 1059 N LEU A 67 -9.219 -2.798 -3.591 1.00 0.15 N ATOM 1060 CA LEU A 67 -9.195 -1.814 -2.497 1.00 53.15 C ATOM 1061 C LEU A 67 -8.998 -0.375 -3.009 1.00 64.54 C ATOM 1062 O LEU A 67 -9.379 0.587 -2.341 1.00 64.23 O ATOM 1063 CB LEU A 67 -8.079 -2.162 -1.501 1.00 43.15 C ATOM 1064 CG LEU A 67 -8.178 -3.556 -0.859 1.00 10.24 C ATOM 1065 CD1 LEU A 67 -6.975 -3.819 0.044 1.00 14.30 C ATOM 1066 CD2 LEU A 67 -9.482 -3.703 -0.075 1.00 15.41 C ATOM 0 H LEU A 67 -8.337 -3.292 -3.727 1.00 0.15 H new ATOM 0 HA LEU A 67 -10.165 -1.859 -2.002 1.00 53.15 H new ATOM 0 HB2 LEU A 67 -7.120 -2.084 -2.014 1.00 43.15 H new ATOM 0 HB3 LEU A 67 -8.077 -1.415 -0.708 1.00 43.15 H new ATOM 0 HG LEU A 67 -8.177 -4.298 -1.658 1.00 10.24 H new ATOM 0 HD11 LEU A 67 -7.064 -4.810 0.489 1.00 14.30 H new ATOM 0 HD12 LEU A 67 -6.059 -3.766 -0.545 1.00 14.30 H new ATOM 0 HD13 LEU A 67 -6.942 -3.069 0.834 1.00 14.30 H new ATOM 0 HD21 LEU A 67 -9.529 -4.697 0.370 1.00 15.41 H new ATOM 0 HD22 LEU A 67 -9.520 -2.951 0.713 1.00 15.41 H new ATOM 0 HD23 LEU A 67 -10.329 -3.566 -0.748 1.00 15.41 H new ATOM 1078 N LEU A 68 -8.415 -0.237 -4.200 1.00 51.12 N ATOM 1079 CA LEU A 68 -8.097 1.086 -4.769 1.00 72.21 C ATOM 1080 C LEU A 68 -9.346 1.973 -4.945 1.00 3.22 C ATOM 1081 O LEU A 68 -9.249 3.199 -4.934 1.00 2.22 O ATOM 1082 CB LEU A 68 -7.384 0.923 -6.120 1.00 44.34 C ATOM 1083 CG LEU A 68 -6.014 0.224 -6.066 1.00 21.40 C ATOM 1084 CD1 LEU A 68 -5.439 0.056 -7.471 1.00 51.43 C ATOM 1085 CD2 LEU A 68 -5.046 1.004 -5.177 1.00 61.41 C ATOM 0 H LEU A 68 -8.151 -1.022 -4.795 1.00 51.12 H new ATOM 0 HA LEU A 68 -7.440 1.587 -4.058 1.00 72.21 H new ATOM 0 HB2 LEU A 68 -8.034 0.359 -6.788 1.00 44.34 H new ATOM 0 HB3 LEU A 68 -7.251 1.910 -6.563 1.00 44.34 H new ATOM 0 HG LEU A 68 -6.153 -0.767 -5.633 1.00 21.40 H new ATOM 0 HD11 LEU A 68 -4.470 -0.440 -7.411 1.00 51.43 H new ATOM 0 HD12 LEU A 68 -6.119 -0.547 -8.073 1.00 51.43 H new ATOM 0 HD13 LEU A 68 -5.317 1.035 -7.934 1.00 51.43 H new ATOM 0 HD21 LEU A 68 -4.083 0.494 -5.152 1.00 61.41 H new ATOM 0 HD22 LEU A 68 -4.913 2.009 -5.578 1.00 61.41 H new ATOM 0 HD23 LEU A 68 -5.450 1.067 -4.167 1.00 61.41 H new ATOM 1097 N LYS A 69 -10.511 1.353 -5.107 1.00 25.40 N ATOM 1098 CA LYS A 69 -11.764 2.099 -5.323 1.00 34.24 C ATOM 1099 C LYS A 69 -12.282 2.776 -4.040 1.00 31.04 C ATOM 1100 O LYS A 69 -13.171 3.623 -4.101 1.00 25.43 O ATOM 1101 CB LYS A 69 -12.853 1.169 -5.875 1.00 60.23 C ATOM 1102 CG LYS A 69 -13.241 0.036 -4.924 1.00 53.41 C ATOM 1103 CD LYS A 69 -14.399 -0.798 -5.469 1.00 60.34 C ATOM 1104 CE LYS A 69 -14.073 -1.411 -6.826 1.00 22.41 C ATOM 1105 NZ LYS A 69 -12.861 -2.271 -6.777 1.00 33.54 N ATOM 0 H LYS A 69 -10.622 0.339 -5.094 1.00 25.40 H new ATOM 0 HA LYS A 69 -11.536 2.883 -6.045 1.00 34.24 H new ATOM 0 HB2 LYS A 69 -13.741 1.760 -6.102 1.00 60.23 H new ATOM 0 HB3 LYS A 69 -12.507 0.739 -6.815 1.00 60.23 H new ATOM 0 HG2 LYS A 69 -12.378 -0.608 -4.756 1.00 53.41 H new ATOM 0 HG3 LYS A 69 -13.519 0.454 -3.957 1.00 53.41 H new ATOM 0 HD2 LYS A 69 -14.639 -1.591 -4.761 1.00 60.34 H new ATOM 0 HD3 LYS A 69 -15.286 -0.171 -5.558 1.00 60.34 H new ATOM 0 HE2 LYS A 69 -14.922 -2.002 -7.169 1.00 22.41 H new ATOM 0 HE3 LYS A 69 -13.923 -0.615 -7.556 1.00 22.41 H new ATOM 0 HZ1 LYS A 69 -12.087 -1.809 -7.295 1.00 33.54 H new ATOM 0 HZ2 LYS A 69 -12.577 -2.415 -5.787 1.00 33.54 H new ATOM 0 HZ3 LYS A 69 -13.070 -3.191 -7.214 1.00 33.54 H new ATOM 1119 N LYS A 70 -11.733 2.405 -2.888 1.00 3.51 N ATOM 1120 CA LYS A 70 -12.242 2.905 -1.603 1.00 14.43 C ATOM 1121 C LYS A 70 -11.794 4.347 -1.309 1.00 11.24 C ATOM 1122 O LYS A 70 -12.599 5.188 -0.899 1.00 34.51 O ATOM 1123 CB LYS A 70 -11.798 1.979 -0.463 1.00 51.45 C ATOM 1124 CG LYS A 70 -12.273 0.536 -0.623 1.00 52.34 C ATOM 1125 CD LYS A 70 -11.930 -0.310 0.599 1.00 50.34 C ATOM 1126 CE LYS A 70 -12.636 0.204 1.848 1.00 54.14 C ATOM 1127 NZ LYS A 70 -12.243 -0.551 3.065 1.00 13.15 N ATOM 0 H LYS A 70 -10.942 1.766 -2.811 1.00 3.51 H new ATOM 0 HA LYS A 70 -13.330 2.912 -1.673 1.00 14.43 H new ATOM 0 HB2 LYS A 70 -10.710 1.989 -0.402 1.00 51.45 H new ATOM 0 HB3 LYS A 70 -12.174 2.373 0.481 1.00 51.45 H new ATOM 0 HG2 LYS A 70 -13.351 0.523 -0.783 1.00 52.34 H new ATOM 0 HG3 LYS A 70 -11.814 0.098 -1.509 1.00 52.34 H new ATOM 0 HD2 LYS A 70 -12.216 -1.346 0.418 1.00 50.34 H new ATOM 0 HD3 LYS A 70 -10.852 -0.300 0.759 1.00 50.34 H new ATOM 0 HE2 LYS A 70 -12.403 1.260 1.986 1.00 54.14 H new ATOM 0 HE3 LYS A 70 -13.715 0.131 1.710 1.00 54.14 H new ATOM 0 HZ1 LYS A 70 -12.832 -0.248 3.867 1.00 13.15 H new ATOM 0 HZ2 LYS A 70 -12.378 -1.569 2.901 1.00 13.15 H new ATOM 0 HZ3 LYS A 70 -11.243 -0.365 3.281 1.00 13.15 H new ATOM 1141 N PHE A 71 -10.514 4.631 -1.519 1.00 30.31 N ATOM 1142 CA PHE A 71 -9.938 5.940 -1.167 1.00 43.10 C ATOM 1143 C PHE A 71 -9.532 6.748 -2.411 1.00 44.10 C ATOM 1144 O PHE A 71 -9.467 6.215 -3.520 1.00 72.12 O ATOM 1145 CB PHE A 71 -8.724 5.748 -0.243 1.00 11.44 C ATOM 1146 CG PHE A 71 -7.669 4.814 -0.795 1.00 53.50 C ATOM 1147 CD1 PHE A 71 -7.723 3.450 -0.534 1.00 33.43 C ATOM 1148 CD2 PHE A 71 -6.624 5.298 -1.572 1.00 60.54 C ATOM 1149 CE1 PHE A 71 -6.761 2.594 -1.035 1.00 42.24 C ATOM 1150 CE2 PHE A 71 -5.659 4.445 -2.075 1.00 1.22 C ATOM 1151 CZ PHE A 71 -5.728 3.091 -1.806 1.00 12.10 C ATOM 0 H PHE A 71 -9.848 3.977 -1.931 1.00 30.31 H new ATOM 0 HA PHE A 71 -10.709 6.508 -0.647 1.00 43.10 H new ATOM 0 HB2 PHE A 71 -8.269 6.720 -0.052 1.00 11.44 H new ATOM 0 HB3 PHE A 71 -9.069 5.363 0.717 1.00 11.44 H new ATOM 0 HD1 PHE A 71 -8.527 3.054 0.068 1.00 33.43 H new ATOM 0 HD2 PHE A 71 -6.565 6.355 -1.786 1.00 60.54 H new ATOM 0 HE1 PHE A 71 -6.817 1.536 -0.824 1.00 42.24 H new ATOM 0 HE2 PHE A 71 -4.852 4.836 -2.677 1.00 1.22 H new ATOM 0 HZ PHE A 71 -4.976 2.423 -2.198 1.00 12.10 H new ATOM 1161 N ARG A 72 -9.268 8.042 -2.217 1.00 51.03 N ATOM 1162 CA ARG A 72 -8.811 8.921 -3.303 1.00 34.33 C ATOM 1163 C ARG A 72 -7.461 9.572 -2.970 1.00 13.40 C ATOM 1164 O ARG A 72 -7.023 9.578 -1.816 1.00 33.11 O ATOM 1165 CB ARG A 72 -9.857 10.008 -3.590 1.00 75.44 C ATOM 1166 CG ARG A 72 -11.132 9.485 -4.244 1.00 12.31 C ATOM 1167 CD ARG A 72 -12.097 10.619 -4.580 1.00 72.14 C ATOM 1168 NE ARG A 72 -13.226 10.161 -5.388 1.00 13.20 N ATOM 1169 CZ ARG A 72 -14.164 10.941 -5.849 1.00 61.53 C ATOM 1170 NH1 ARG A 72 -14.188 12.198 -5.543 1.00 43.41 N ATOM 1171 NH2 ARG A 72 -15.091 10.451 -6.604 1.00 71.34 N ATOM 0 H ARG A 72 -9.363 8.509 -1.315 1.00 51.03 H new ATOM 0 HA ARG A 72 -8.681 8.304 -4.192 1.00 34.33 H new ATOM 0 HB2 ARG A 72 -10.118 10.503 -2.655 1.00 75.44 H new ATOM 0 HB3 ARG A 72 -9.412 10.764 -4.238 1.00 75.44 H new ATOM 0 HG2 ARG A 72 -10.878 8.941 -5.154 1.00 12.31 H new ATOM 0 HG3 ARG A 72 -11.621 8.777 -3.575 1.00 12.31 H new ATOM 0 HD2 ARG A 72 -12.469 11.063 -3.657 1.00 72.14 H new ATOM 0 HD3 ARG A 72 -11.562 11.402 -5.117 1.00 72.14 H new ATOM 0 HE ARG A 72 -13.284 9.166 -5.605 1.00 13.20 H new ATOM 0 HH11 ARG A 72 -13.468 12.589 -4.935 1.00 43.41 H new ATOM 0 HH12 ARG A 72 -14.927 12.798 -5.910 1.00 43.41 H new ATOM 0 HH21 ARG A 72 -15.087 9.458 -6.837 1.00 71.34 H new ATOM 0 HH22 ARG A 72 -15.827 11.057 -6.967 1.00 71.34 H new ATOM 1185 N GLU A 73 -6.808 10.133 -3.990 1.00 54.33 N ATOM 1186 CA GLU A 73 -5.493 10.759 -3.815 1.00 54.13 C ATOM 1187 C GLU A 73 -5.604 12.049 -2.983 1.00 61.32 C ATOM 1188 O GLU A 73 -5.863 13.132 -3.515 1.00 2.34 O ATOM 1189 CB GLU A 73 -4.850 11.048 -5.185 1.00 50.42 C ATOM 1190 CG GLU A 73 -3.371 11.409 -5.100 1.00 54.51 C ATOM 1191 CD GLU A 73 -2.762 11.822 -6.435 1.00 60.50 C ATOM 1192 OE1 GLU A 73 -2.979 12.977 -6.860 1.00 4.01 O ATOM 1193 OE2 GLU A 73 -2.054 11.001 -7.065 1.00 50.02 O ATOM 0 H GLU A 73 -7.166 10.167 -4.944 1.00 54.33 H new ATOM 0 HA GLU A 73 -4.853 10.064 -3.272 1.00 54.13 H new ATOM 0 HB2 GLU A 73 -4.966 10.172 -5.824 1.00 50.42 H new ATOM 0 HB3 GLU A 73 -5.388 11.866 -5.665 1.00 50.42 H new ATOM 0 HG2 GLU A 73 -3.246 12.223 -4.386 1.00 54.51 H new ATOM 0 HG3 GLU A 73 -2.820 10.554 -4.708 1.00 54.51 H new ATOM 1200 N GLY A 74 -5.425 11.916 -1.670 1.00 21.35 N ATOM 1201 CA GLY A 74 -5.562 13.052 -0.763 1.00 54.33 C ATOM 1202 C GLY A 74 -6.063 12.649 0.623 1.00 65.13 C ATOM 1203 O GLY A 74 -5.753 13.306 1.623 1.00 33.14 O ATOM 0 H GLY A 74 -5.186 11.036 -1.213 1.00 21.35 H new ATOM 0 HA2 GLY A 74 -4.598 13.550 -0.665 1.00 54.33 H new ATOM 0 HA3 GLY A 74 -6.252 13.776 -1.197 1.00 54.33 H new ATOM 1207 N ASP A 75 -6.842 11.566 0.682 1.00 44.20 N ATOM 1208 CA ASP A 75 -7.377 11.051 1.952 1.00 33.40 C ATOM 1209 C ASP A 75 -6.292 10.338 2.778 1.00 32.21 C ATOM 1210 O ASP A 75 -5.161 10.158 2.326 1.00 45.13 O ATOM 1211 CB ASP A 75 -8.542 10.088 1.685 1.00 34.20 C ATOM 1212 CG ASP A 75 -9.711 10.771 0.999 1.00 74.01 C ATOM 1213 OD1 ASP A 75 -10.283 11.713 1.591 1.00 4.12 O ATOM 1214 OD2 ASP A 75 -10.061 10.379 -0.133 1.00 54.23 O ATOM 0 H ASP A 75 -7.119 11.025 -0.137 1.00 44.20 H new ATOM 0 HA ASP A 75 -7.734 11.904 2.529 1.00 33.40 H new ATOM 0 HB2 ASP A 75 -8.193 9.262 1.065 1.00 34.20 H new ATOM 0 HB3 ASP A 75 -8.878 9.658 2.629 1.00 34.20 H new ATOM 1219 N VAL A 76 -6.642 9.940 3.997 1.00 13.01 N ATOM 1220 CA VAL A 76 -5.718 9.200 4.865 1.00 62.11 C ATOM 1221 C VAL A 76 -6.120 7.718 4.923 1.00 63.54 C ATOM 1222 O VAL A 76 -7.306 7.400 4.971 1.00 62.21 O ATOM 1223 CB VAL A 76 -5.713 9.774 6.308 1.00 65.11 C ATOM 1224 CG1 VAL A 76 -4.511 9.258 7.101 1.00 60.21 C ATOM 1225 CG2 VAL A 76 -5.762 11.304 6.293 1.00 2.31 C ATOM 0 H VAL A 76 -7.558 10.115 4.411 1.00 13.01 H new ATOM 0 HA VAL A 76 -4.719 9.302 4.442 1.00 62.11 H new ATOM 0 HB VAL A 76 -6.613 9.423 6.812 1.00 65.11 H new ATOM 0 HG11 VAL A 76 -4.533 9.676 8.108 1.00 60.21 H new ATOM 0 HG12 VAL A 76 -4.553 8.170 7.159 1.00 60.21 H new ATOM 0 HG13 VAL A 76 -3.590 9.560 6.603 1.00 60.21 H new ATOM 0 HG21 VAL A 76 -5.757 11.678 7.317 1.00 2.31 H new ATOM 0 HG22 VAL A 76 -4.893 11.691 5.761 1.00 2.31 H new ATOM 0 HG23 VAL A 76 -6.671 11.634 5.790 1.00 2.31 H new ATOM 1235 N ILE A 77 -5.147 6.809 4.913 1.00 3.53 N ATOM 1236 CA ILE A 77 -5.455 5.374 4.974 1.00 61.44 C ATOM 1237 C ILE A 77 -4.566 4.622 5.974 1.00 70.45 C ATOM 1238 O ILE A 77 -3.414 4.990 6.219 1.00 11.23 O ATOM 1239 CB ILE A 77 -5.330 4.679 3.589 1.00 54.53 C ATOM 1240 CG1 ILE A 77 -3.895 4.792 3.047 1.00 1.51 C ATOM 1241 CG2 ILE A 77 -6.337 5.258 2.597 1.00 54.05 C ATOM 1242 CD1 ILE A 77 -3.658 4.007 1.770 1.00 72.32 C ATOM 0 H ILE A 77 -4.153 7.031 4.864 1.00 3.53 H new ATOM 0 HA ILE A 77 -6.491 5.326 5.309 1.00 61.44 H new ATOM 0 HB ILE A 77 -5.557 3.621 3.719 1.00 54.53 H new ATOM 0 HG12 ILE A 77 -3.667 5.842 2.864 1.00 1.51 H new ATOM 0 HG13 ILE A 77 -3.200 4.444 3.811 1.00 1.51 H new ATOM 0 HG21 ILE A 77 -6.230 4.756 1.635 1.00 54.05 H new ATOM 0 HG22 ILE A 77 -7.348 5.107 2.975 1.00 54.05 H new ATOM 0 HG23 ILE A 77 -6.152 6.325 2.472 1.00 54.05 H new ATOM 0 HD11 ILE A 77 -2.624 4.136 1.450 1.00 72.32 H new ATOM 0 HD12 ILE A 77 -3.852 2.950 1.951 1.00 72.32 H new ATOM 0 HD13 ILE A 77 -4.327 4.370 0.990 1.00 72.32 H new ATOM 1254 N ARG A 78 -5.132 3.572 6.551 1.00 54.03 N ATOM 1255 CA ARG A 78 -4.398 2.633 7.397 1.00 54.24 C ATOM 1256 C ARG A 78 -4.487 1.222 6.793 1.00 71.34 C ATOM 1257 O ARG A 78 -5.559 0.613 6.760 1.00 62.31 O ATOM 1258 CB ARG A 78 -4.974 2.643 8.823 1.00 74.21 C ATOM 1259 CG ARG A 78 -4.334 1.621 9.760 1.00 61.20 C ATOM 1260 CD ARG A 78 -4.990 1.628 11.138 1.00 51.13 C ATOM 1261 NE ARG A 78 -4.787 2.892 11.850 1.00 40.12 N ATOM 1262 CZ ARG A 78 -5.704 3.481 12.574 1.00 22.14 C ATOM 1263 NH1 ARG A 78 -6.918 3.031 12.603 1.00 42.11 N ATOM 1264 NH2 ARG A 78 -5.415 4.548 13.248 1.00 30.14 N ATOM 0 H ARG A 78 -6.120 3.343 6.447 1.00 54.03 H new ATOM 0 HA ARG A 78 -3.352 2.934 7.447 1.00 54.24 H new ATOM 0 HB2 ARG A 78 -4.847 3.639 9.248 1.00 74.21 H new ATOM 0 HB3 ARG A 78 -6.046 2.452 8.772 1.00 74.21 H new ATOM 0 HG2 ARG A 78 -4.416 0.626 9.323 1.00 61.20 H new ATOM 0 HG3 ARG A 78 -3.271 1.837 9.862 1.00 61.20 H new ATOM 0 HD2 ARG A 78 -6.059 1.444 11.029 1.00 51.13 H new ATOM 0 HD3 ARG A 78 -4.585 0.810 11.734 1.00 51.13 H new ATOM 0 HE ARG A 78 -3.874 3.341 11.777 1.00 40.12 H new ATOM 0 HH11 ARG A 78 -7.170 2.207 12.057 1.00 42.11 H new ATOM 0 HH12 ARG A 78 -7.622 3.500 13.172 1.00 42.11 H new ATOM 0 HH21 ARG A 78 -4.470 4.932 13.215 1.00 30.14 H new ATOM 0 HH22 ARG A 78 -6.132 5.005 13.812 1.00 30.14 H new ATOM 1278 N ILE A 79 -3.362 0.711 6.302 1.00 33.03 N ATOM 1279 CA ILE A 79 -3.338 -0.601 5.649 1.00 2.04 C ATOM 1280 C ILE A 79 -3.051 -1.711 6.669 1.00 72.44 C ATOM 1281 O ILE A 79 -2.041 -1.675 7.376 1.00 33.23 O ATOM 1282 CB ILE A 79 -2.285 -0.648 4.515 1.00 55.31 C ATOM 1283 CG1 ILE A 79 -2.460 0.558 3.571 1.00 4.32 C ATOM 1284 CG2 ILE A 79 -2.406 -1.959 3.740 1.00 70.42 C ATOM 1285 CD1 ILE A 79 -1.462 0.597 2.431 1.00 64.44 C ATOM 0 H ILE A 79 -2.457 1.180 6.342 1.00 33.03 H new ATOM 0 HA ILE A 79 -4.323 -0.765 5.212 1.00 2.04 H new ATOM 0 HB ILE A 79 -1.290 -0.596 4.957 1.00 55.31 H new ATOM 0 HG12 ILE A 79 -3.468 0.540 3.157 1.00 4.32 H new ATOM 0 HG13 ILE A 79 -2.370 1.477 4.151 1.00 4.32 H new ATOM 0 HG21 ILE A 79 -1.661 -1.982 2.945 1.00 70.42 H new ATOM 0 HG22 ILE A 79 -2.241 -2.798 4.416 1.00 70.42 H new ATOM 0 HG23 ILE A 79 -3.403 -2.034 3.305 1.00 70.42 H new ATOM 0 HD11 ILE A 79 -1.651 1.474 1.812 1.00 64.44 H new ATOM 0 HD12 ILE A 79 -0.451 0.648 2.834 1.00 64.44 H new ATOM 0 HD13 ILE A 79 -1.566 -0.303 1.825 1.00 64.44 H new ATOM 1297 N LYS A 80 -3.940 -2.697 6.742 1.00 65.34 N ATOM 1298 CA LYS A 80 -3.866 -3.729 7.777 1.00 52.32 C ATOM 1299 C LYS A 80 -3.184 -5.006 7.264 1.00 71.32 C ATOM 1300 O LYS A 80 -3.658 -5.638 6.319 1.00 0.40 O ATOM 1301 CB LYS A 80 -5.276 -4.033 8.291 1.00 74.01 C ATOM 1302 CG LYS A 80 -5.309 -4.867 9.571 1.00 31.54 C ATOM 1303 CD LYS A 80 -6.691 -4.829 10.224 1.00 63.12 C ATOM 1304 CE LYS A 80 -7.068 -3.404 10.636 1.00 1.15 C ATOM 1305 NZ LYS A 80 -8.452 -3.305 11.167 1.00 51.35 N ATOM 0 H LYS A 80 -4.722 -2.805 6.097 1.00 65.34 H new ATOM 0 HA LYS A 80 -3.254 -3.352 8.596 1.00 52.32 H new ATOM 0 HB2 LYS A 80 -5.796 -3.092 8.470 1.00 74.01 H new ATOM 0 HB3 LYS A 80 -5.829 -4.560 7.513 1.00 74.01 H new ATOM 0 HG2 LYS A 80 -5.041 -5.898 9.342 1.00 31.54 H new ATOM 0 HG3 LYS A 80 -4.563 -4.491 10.271 1.00 31.54 H new ATOM 0 HD2 LYS A 80 -7.435 -5.219 9.530 1.00 63.12 H new ATOM 0 HD3 LYS A 80 -6.701 -5.478 11.099 1.00 63.12 H new ATOM 0 HE2 LYS A 80 -6.367 -3.052 11.393 1.00 1.15 H new ATOM 0 HE3 LYS A 80 -6.966 -2.743 9.775 1.00 1.15 H new ATOM 0 HZ1 LYS A 80 -8.750 -2.309 11.175 1.00 51.35 H new ATOM 0 HZ2 LYS A 80 -9.096 -3.854 10.563 1.00 51.35 H new ATOM 0 HZ3 LYS A 80 -8.480 -3.683 12.136 1.00 51.35 H new ATOM 1319 N ASP A 81 -2.075 -5.372 7.919 1.00 70.24 N ATOM 1320 CA ASP A 81 -1.272 -6.552 7.562 1.00 24.42 C ATOM 1321 C ASP A 81 -0.523 -6.371 6.226 1.00 11.33 C ATOM 1322 O ASP A 81 -1.059 -6.644 5.151 1.00 32.14 O ATOM 1323 CB ASP A 81 -2.132 -7.824 7.527 1.00 45.02 C ATOM 1324 CG ASP A 81 -2.642 -8.214 8.903 1.00 63.54 C ATOM 1325 OD1 ASP A 81 -1.807 -8.487 9.795 1.00 60.01 O ATOM 1326 OD2 ASP A 81 -3.874 -8.257 9.102 1.00 72.24 O ATOM 0 H ASP A 81 -1.706 -4.855 8.717 1.00 70.24 H new ATOM 0 HA ASP A 81 -0.521 -6.662 8.345 1.00 24.42 H new ATOM 0 HB2 ASP A 81 -2.979 -7.669 6.859 1.00 45.02 H new ATOM 0 HB3 ASP A 81 -1.546 -8.645 7.113 1.00 45.02 H new ATOM 1331 N VAL A 82 0.725 -5.900 6.308 1.00 70.22 N ATOM 1332 CA VAL A 82 1.602 -5.780 5.132 1.00 2.04 C ATOM 1333 C VAL A 82 3.045 -6.186 5.469 1.00 2.32 C ATOM 1334 O VAL A 82 3.429 -6.260 6.638 1.00 22.14 O ATOM 1335 CB VAL A 82 1.613 -4.343 4.546 1.00 65.24 C ATOM 1336 CG1 VAL A 82 0.266 -3.995 3.926 1.00 53.43 C ATOM 1337 CG2 VAL A 82 2.001 -3.321 5.612 1.00 54.33 C ATOM 0 H VAL A 82 1.155 -5.593 7.180 1.00 70.22 H new ATOM 0 HA VAL A 82 1.192 -6.458 4.383 1.00 2.04 H new ATOM 0 HB VAL A 82 2.365 -4.310 3.757 1.00 65.24 H new ATOM 0 HG11 VAL A 82 0.302 -2.983 3.523 1.00 53.43 H new ATOM 0 HG12 VAL A 82 0.043 -4.698 3.123 1.00 53.43 H new ATOM 0 HG13 VAL A 82 -0.512 -4.055 4.688 1.00 53.43 H new ATOM 0 HG21 VAL A 82 2.001 -2.322 5.176 1.00 54.33 H new ATOM 0 HG22 VAL A 82 1.283 -3.359 6.431 1.00 54.33 H new ATOM 0 HG23 VAL A 82 2.997 -3.551 5.992 1.00 54.33 H new ATOM 1347 N ASN A 83 3.836 -6.460 4.436 1.00 63.42 N ATOM 1348 CA ASN A 83 5.253 -6.792 4.613 1.00 73.24 C ATOM 1349 C ASN A 83 6.136 -5.592 4.256 1.00 62.11 C ATOM 1350 O ASN A 83 6.130 -5.124 3.116 1.00 4.32 O ATOM 1351 CB ASN A 83 5.634 -7.993 3.740 1.00 10.10 C ATOM 1352 CG ASN A 83 4.772 -9.215 4.009 1.00 1.13 C ATOM 1353 OD1 ASN A 83 4.288 -9.354 5.228 1.00 54.41 O flip ATOM 1354 ND2 ASN A 83 4.545 -10.035 3.131 1.00 32.21 N flip ATOM 0 H ASN A 83 3.523 -6.460 3.465 1.00 63.42 H new ATOM 0 HA ASN A 83 5.414 -7.049 5.660 1.00 73.24 H new ATOM 0 HB2 ASN A 83 5.545 -7.715 2.690 1.00 10.10 H new ATOM 0 HB3 ASN A 83 6.680 -8.246 3.915 1.00 10.10 H new ATOM 0 HD21 ASN A 83 4.932 -9.902 2.197 1.00 32.21 H new ATOM 0 HD22 ASN A 83 3.968 -10.852 3.333 1.00 32.21 H new ATOM 1361 N ILE A 84 6.893 -5.098 5.232 1.00 31.22 N ATOM 1362 CA ILE A 84 7.756 -3.932 5.020 1.00 23.43 C ATOM 1363 C ILE A 84 9.069 -4.334 4.335 1.00 73.54 C ATOM 1364 O ILE A 84 9.760 -5.249 4.779 1.00 21.12 O ATOM 1365 CB ILE A 84 8.079 -3.213 6.354 1.00 22.23 C ATOM 1366 CG1 ILE A 84 6.780 -2.839 7.089 1.00 43.31 C ATOM 1367 CG2 ILE A 84 8.940 -1.970 6.103 1.00 53.21 C ATOM 1368 CD1 ILE A 84 5.859 -1.939 6.291 1.00 23.30 C ATOM 0 H ILE A 84 6.929 -5.483 6.176 1.00 31.22 H new ATOM 0 HA ILE A 84 7.207 -3.247 4.374 1.00 23.43 H new ATOM 0 HB ILE A 84 8.647 -3.895 6.987 1.00 22.23 H new ATOM 0 HG12 ILE A 84 6.245 -3.753 7.347 1.00 43.31 H new ATOM 0 HG13 ILE A 84 7.034 -2.343 8.026 1.00 43.31 H new ATOM 0 HG21 ILE A 84 9.156 -1.479 7.052 1.00 53.21 H new ATOM 0 HG22 ILE A 84 9.875 -2.265 5.626 1.00 53.21 H new ATOM 0 HG23 ILE A 84 8.403 -1.280 5.452 1.00 53.21 H new ATOM 0 HD11 ILE A 84 4.966 -1.721 6.877 1.00 23.30 H new ATOM 0 HD12 ILE A 84 6.375 -1.008 6.055 1.00 23.30 H new ATOM 0 HD13 ILE A 84 5.573 -2.440 5.366 1.00 23.30 H new ATOM 1380 N ARG A 85 9.403 -3.647 3.248 1.00 0.42 N ATOM 1381 CA ARG A 85 10.633 -3.921 2.499 1.00 41.30 C ATOM 1382 C ARG A 85 11.497 -2.660 2.371 1.00 44.21 C ATOM 1383 O ARG A 85 11.058 -1.549 2.688 1.00 22.51 O ATOM 1384 CB ARG A 85 10.306 -4.470 1.104 1.00 53.52 C ATOM 1385 CG ARG A 85 9.372 -5.680 1.111 1.00 30.40 C ATOM 1386 CD ARG A 85 9.950 -6.847 1.906 1.00 64.12 C ATOM 1387 NE ARG A 85 11.230 -7.296 1.368 1.00 21.25 N ATOM 1388 CZ ARG A 85 12.008 -8.160 1.957 1.00 71.53 C ATOM 1389 NH1 ARG A 85 11.685 -8.676 3.101 1.00 41.14 N ATOM 1390 NH2 ARG A 85 13.115 -8.507 1.393 1.00 10.04 N ATOM 0 H ARG A 85 8.838 -2.891 2.861 1.00 0.42 H new ATOM 0 HA ARG A 85 11.196 -4.671 3.054 1.00 41.30 H new ATOM 0 HB2 ARG A 85 9.851 -3.677 0.511 1.00 53.52 H new ATOM 0 HB3 ARG A 85 11.236 -4.746 0.607 1.00 53.52 H new ATOM 0 HG2 ARG A 85 8.411 -5.393 1.537 1.00 30.40 H new ATOM 0 HG3 ARG A 85 9.184 -5.998 0.086 1.00 30.40 H new ATOM 0 HD2 ARG A 85 10.079 -6.548 2.946 1.00 64.12 H new ATOM 0 HD3 ARG A 85 9.243 -7.676 1.898 1.00 64.12 H new ATOM 0 HE ARG A 85 11.535 -6.909 0.475 1.00 21.25 H new ATOM 0 HH11 ARG A 85 10.811 -8.407 3.553 1.00 41.14 H new ATOM 0 HH12 ARG A 85 12.305 -9.351 3.549 1.00 41.14 H new ATOM 0 HH21 ARG A 85 13.376 -8.106 0.492 1.00 10.04 H new ATOM 0 HH22 ARG A 85 13.729 -9.183 1.848 1.00 10.04 H new ATOM 1476 N LYS A 92 10.627 3.617 1.537 1.00 61.54 N ATOM 1477 CA LYS A 92 10.487 2.158 1.617 1.00 50.41 C ATOM 1478 C LYS A 92 9.212 1.691 0.894 1.00 50.14 C ATOM 1479 O LYS A 92 8.488 2.495 0.306 1.00 34.31 O ATOM 1480 CB LYS A 92 10.449 1.708 3.087 1.00 12.33 C ATOM 1481 CG LYS A 92 11.635 2.195 3.909 1.00 3.33 C ATOM 1482 CD LYS A 92 11.580 1.694 5.351 1.00 5.24 C ATOM 1483 CE LYS A 92 12.678 2.316 6.206 1.00 22.23 C ATOM 1484 NZ LYS A 92 14.037 2.056 5.660 1.00 12.02 N ATOM 0 HA LYS A 92 11.349 1.706 1.127 1.00 50.41 H new ATOM 0 HB2 LYS A 92 9.528 2.070 3.545 1.00 12.33 H new ATOM 0 HB3 LYS A 92 10.416 0.619 3.123 1.00 12.33 H new ATOM 0 HG2 LYS A 92 12.561 1.857 3.444 1.00 3.33 H new ATOM 0 HG3 LYS A 92 11.655 3.285 3.905 1.00 3.33 H new ATOM 0 HD2 LYS A 92 10.607 1.929 5.781 1.00 5.24 H new ATOM 0 HD3 LYS A 92 11.680 0.609 5.363 1.00 5.24 H new ATOM 0 HE2 LYS A 92 12.516 3.392 6.274 1.00 22.23 H new ATOM 0 HE3 LYS A 92 12.614 1.919 7.219 1.00 22.23 H new ATOM 0 HZ1 LYS A 92 14.753 2.410 6.327 1.00 12.02 H new ATOM 0 HZ2 LYS A 92 14.166 1.033 5.524 1.00 12.02 H new ATOM 0 HZ3 LYS A 92 14.144 2.543 4.747 1.00 12.02 H new ATOM 1498 N GLU A 93 8.922 0.397 0.956 1.00 41.21 N ATOM 1499 CA GLU A 93 7.739 -0.152 0.288 1.00 31.33 C ATOM 1500 C GLU A 93 7.049 -1.206 1.164 1.00 73.14 C ATOM 1501 O GLU A 93 7.695 -1.890 1.956 1.00 21.31 O ATOM 1502 CB GLU A 93 8.125 -0.748 -1.076 1.00 31.14 C ATOM 1503 CG GLU A 93 9.110 -1.905 -0.985 1.00 2.32 C ATOM 1504 CD GLU A 93 9.557 -2.418 -2.345 1.00 65.02 C ATOM 1505 OE1 GLU A 93 8.700 -2.887 -3.124 1.00 70.10 O ATOM 1506 OE2 GLU A 93 10.768 -2.370 -2.642 1.00 43.44 O ATOM 0 H GLU A 93 9.483 -0.291 1.458 1.00 41.21 H new ATOM 0 HA GLU A 93 7.032 0.661 0.126 1.00 31.33 H new ATOM 0 HB2 GLU A 93 7.222 -1.091 -1.581 1.00 31.14 H new ATOM 0 HB3 GLU A 93 8.558 0.037 -1.696 1.00 31.14 H new ATOM 0 HG2 GLU A 93 9.985 -1.586 -0.419 1.00 2.32 H new ATOM 0 HG3 GLU A 93 8.651 -2.722 -0.428 1.00 2.32 H new ATOM 1513 N ALA A 94 5.733 -1.319 1.027 1.00 21.23 N ATOM 1514 CA ALA A 94 4.952 -2.280 1.807 1.00 55.03 C ATOM 1515 C ALA A 94 4.104 -3.168 0.895 1.00 33.12 C ATOM 1516 O ALA A 94 3.242 -2.680 0.165 1.00 44.34 O ATOM 1517 CB ALA A 94 4.066 -1.550 2.811 1.00 55.14 C ATOM 0 H ALA A 94 5.180 -0.756 0.381 1.00 21.23 H new ATOM 0 HA ALA A 94 5.647 -2.920 2.351 1.00 55.03 H new ATOM 0 HB1 ALA A 94 3.491 -2.277 3.384 1.00 55.14 H new ATOM 0 HB2 ALA A 94 4.689 -0.965 3.488 1.00 55.14 H new ATOM 0 HB3 ALA A 94 3.385 -0.886 2.279 1.00 55.14 H new ATOM 1523 N HIS A 95 4.344 -4.471 0.947 1.00 53.03 N ATOM 1524 CA HIS A 95 3.638 -5.422 0.085 1.00 4.53 C ATOM 1525 C HIS A 95 2.379 -5.971 0.769 1.00 51.21 C ATOM 1526 O HIS A 95 2.444 -6.522 1.872 1.00 43.41 O ATOM 1527 CB HIS A 95 4.578 -6.569 -0.313 1.00 31.22 C ATOM 1528 CG HIS A 95 5.656 -6.151 -1.267 1.00 42.04 C ATOM 1529 ND1 HIS A 95 5.594 -6.489 -2.595 1.00 21.42 N ATOM 1530 CD2 HIS A 95 6.782 -5.420 -1.051 1.00 14.45 C ATOM 1531 CE1 HIS A 95 6.665 -5.958 -3.155 1.00 61.41 C ATOM 1532 NE2 HIS A 95 7.414 -5.303 -2.262 1.00 24.24 N ATOM 0 H HIS A 95 5.023 -4.899 1.577 1.00 53.03 H new ATOM 0 HA HIS A 95 3.321 -4.894 -0.814 1.00 4.53 H new ATOM 0 HB2 HIS A 95 5.038 -6.981 0.586 1.00 31.22 H new ATOM 0 HB3 HIS A 95 3.992 -7.369 -0.766 1.00 31.22 H new ATOM 0 HD2 HIS A 95 7.114 -5.011 -0.108 1.00 14.45 H new ATOM 0 HE1 HIS A 95 6.906 -6.042 -4.204 1.00 61.41 H new ATOM 0 HE2 HIS A 95 8.288 -4.811 -2.446 1.00 24.24 H new ATOM 1540 N LEU A 96 1.232 -5.802 0.108 1.00 62.32 N ATOM 1541 CA LEU A 96 -0.056 -6.259 0.649 1.00 74.12 C ATOM 1542 C LEU A 96 -0.272 -7.767 0.424 1.00 44.14 C ATOM 1543 O LEU A 96 0.561 -8.449 -0.174 1.00 51.33 O ATOM 1544 CB LEU A 96 -1.216 -5.460 0.030 1.00 13.32 C ATOM 1545 CG LEU A 96 -1.451 -4.055 0.621 1.00 21.01 C ATOM 1546 CD1 LEU A 96 -0.288 -3.113 0.309 1.00 22.11 C ATOM 1547 CD2 LEU A 96 -2.768 -3.475 0.112 1.00 53.30 C ATOM 0 H LEU A 96 1.166 -5.351 -0.805 1.00 62.32 H new ATOM 0 HA LEU A 96 -0.035 -6.084 1.725 1.00 74.12 H new ATOM 0 HB2 LEU A 96 -1.033 -5.358 -1.040 1.00 13.32 H new ATOM 0 HB3 LEU A 96 -2.132 -6.039 0.142 1.00 13.32 H new ATOM 0 HG LEU A 96 -1.510 -4.155 1.705 1.00 21.01 H new ATOM 0 HD11 LEU A 96 -0.488 -2.132 0.741 1.00 22.11 H new ATOM 0 HD12 LEU A 96 0.631 -3.516 0.734 1.00 22.11 H new ATOM 0 HD13 LEU A 96 -0.177 -3.018 -0.771 1.00 22.11 H new ATOM 0 HD21 LEU A 96 -2.918 -2.483 0.539 1.00 53.30 H new ATOM 0 HD22 LEU A 96 -2.737 -3.401 -0.975 1.00 53.30 H new ATOM 0 HD23 LEU A 96 -3.591 -4.126 0.408 1.00 53.30 H new ATOM 1559 N MET A 97 -1.406 -8.275 0.905 1.00 53.14 N ATOM 1560 CA MET A 97 -1.718 -9.710 0.857 1.00 71.33 C ATOM 1561 C MET A 97 -3.140 -9.931 0.320 1.00 33.41 C ATOM 1562 O MET A 97 -4.012 -9.089 0.521 1.00 13.03 O ATOM 1563 CB MET A 97 -1.620 -10.299 2.271 1.00 74.10 C ATOM 1564 CG MET A 97 -0.336 -9.936 2.996 1.00 50.42 C ATOM 1565 SD MET A 97 -0.385 -10.357 4.746 1.00 11.11 S ATOM 1566 CE MET A 97 0.968 -9.348 5.339 1.00 73.04 C ATOM 0 H MET A 97 -2.135 -7.708 1.339 1.00 53.14 H new ATOM 0 HA MET A 97 -1.006 -10.202 0.195 1.00 71.33 H new ATOM 0 HB2 MET A 97 -2.469 -9.952 2.859 1.00 74.10 H new ATOM 0 HB3 MET A 97 -1.697 -11.384 2.209 1.00 74.10 H new ATOM 0 HG2 MET A 97 0.501 -10.452 2.525 1.00 50.42 H new ATOM 0 HG3 MET A 97 -0.152 -8.867 2.888 1.00 50.42 H new ATOM 0 HE1 MET A 97 0.736 -8.979 6.338 1.00 73.04 H new ATOM 0 HE2 MET A 97 1.879 -9.946 5.375 1.00 73.04 H new ATOM 0 HE3 MET A 97 1.114 -8.504 4.666 1.00 73.04 H new ATOM 1576 N PRO A 98 -3.407 -11.071 -0.347 1.00 52.42 N ATOM 1577 CA PRO A 98 -4.753 -11.387 -0.867 1.00 14.51 C ATOM 1578 C PRO A 98 -5.880 -11.144 0.157 1.00 30.25 C ATOM 1579 O PRO A 98 -6.982 -10.725 -0.202 1.00 54.12 O ATOM 1580 CB PRO A 98 -4.641 -12.873 -1.219 1.00 55.21 C ATOM 1581 CG PRO A 98 -3.202 -13.059 -1.571 1.00 34.42 C ATOM 1582 CD PRO A 98 -2.429 -12.133 -0.665 1.00 64.15 C ATOM 0 HA PRO A 98 -5.024 -10.747 -1.707 1.00 14.51 H new ATOM 0 HB2 PRO A 98 -4.930 -13.504 -0.379 1.00 55.21 H new ATOM 0 HB3 PRO A 98 -5.292 -13.135 -2.053 1.00 55.21 H new ATOM 0 HG2 PRO A 98 -2.895 -14.095 -1.424 1.00 34.42 H new ATOM 0 HG3 PRO A 98 -3.023 -12.819 -2.619 1.00 34.42 H new ATOM 0 HD2 PRO A 98 -2.085 -12.645 0.234 1.00 64.15 H new ATOM 0 HD3 PRO A 98 -1.546 -11.731 -1.161 1.00 64.15 H new ATOM 1590 N ARG A 99 -5.591 -11.385 1.436 1.00 25.31 N ATOM 1591 CA ARG A 99 -6.587 -11.212 2.503 1.00 14.05 C ATOM 1592 C ARG A 99 -6.536 -9.819 3.164 1.00 54.12 C ATOM 1593 O ARG A 99 -7.487 -9.424 3.845 1.00 1.35 O ATOM 1594 CB ARG A 99 -6.397 -12.275 3.588 1.00 13.35 C ATOM 1595 CG ARG A 99 -6.761 -13.694 3.160 1.00 72.35 C ATOM 1596 CD ARG A 99 -6.750 -14.642 4.356 1.00 5.10 C ATOM 1597 NE ARG A 99 -7.560 -14.120 5.457 1.00 30.33 N ATOM 1598 CZ ARG A 99 -7.578 -14.613 6.666 1.00 50.04 C ATOM 1599 NH1 ARG A 99 -6.945 -15.704 6.949 1.00 31.23 N ATOM 1600 NH2 ARG A 99 -8.257 -14.015 7.586 1.00 22.32 N ATOM 0 H ARG A 99 -4.677 -11.700 1.762 1.00 25.31 H new ATOM 0 HA ARG A 99 -7.560 -11.318 2.024 1.00 14.05 H new ATOM 0 HB2 ARG A 99 -5.356 -12.263 3.911 1.00 13.35 H new ATOM 0 HB3 ARG A 99 -7.002 -12.004 4.453 1.00 13.35 H new ATOM 0 HG2 ARG A 99 -7.748 -13.697 2.697 1.00 72.35 H new ATOM 0 HG3 ARG A 99 -6.055 -14.044 2.407 1.00 72.35 H new ATOM 0 HD2 ARG A 99 -7.130 -15.617 4.053 1.00 5.10 H new ATOM 0 HD3 ARG A 99 -5.725 -14.791 4.695 1.00 5.10 H new ATOM 0 HE ARG A 99 -8.154 -13.313 5.266 1.00 30.33 H new ATOM 0 HH11 ARG A 99 -6.421 -16.193 6.223 1.00 31.23 H new ATOM 0 HH12 ARG A 99 -6.969 -16.076 7.898 1.00 31.23 H new ATOM 0 HH21 ARG A 99 -8.774 -13.164 7.366 1.00 22.32 H new ATOM 0 HH22 ARG A 99 -8.276 -14.393 8.533 1.00 22.32 H new ATOM 1614 N SER A 100 -5.440 -9.081 2.984 1.00 73.32 N ATOM 1615 CA SER A 100 -5.262 -7.804 3.697 1.00 53.41 C ATOM 1616 C SER A 100 -6.184 -6.706 3.150 1.00 13.34 C ATOM 1617 O SER A 100 -6.391 -6.588 1.937 1.00 70.21 O ATOM 1618 CB SER A 100 -3.799 -7.336 3.657 1.00 52.13 C ATOM 1619 OG SER A 100 -3.392 -6.945 2.356 1.00 32.04 O ATOM 0 H SER A 100 -4.671 -9.334 2.363 1.00 73.32 H new ATOM 0 HA SER A 100 -5.538 -7.988 4.735 1.00 53.41 H new ATOM 0 HB2 SER A 100 -3.669 -6.498 4.342 1.00 52.13 H new ATOM 0 HB3 SER A 100 -3.153 -8.140 4.010 1.00 52.13 H new ATOM 0 HG SER A 100 -2.706 -6.248 2.423 1.00 32.04 H new ATOM 1625 N THR A 101 -6.750 -5.912 4.062 1.00 62.43 N ATOM 1626 CA THR A 101 -7.691 -4.840 3.704 1.00 42.42 C ATOM 1627 C THR A 101 -7.167 -3.460 4.129 1.00 2.44 C ATOM 1628 O THR A 101 -6.125 -3.347 4.783 1.00 71.52 O ATOM 1629 CB THR A 101 -9.076 -5.059 4.364 1.00 61.22 C ATOM 1630 OG1 THR A 101 -8.958 -4.984 5.792 1.00 44.24 O ATOM 1631 CG2 THR A 101 -9.670 -6.410 3.971 1.00 42.00 C ATOM 0 H THR A 101 -6.573 -5.990 5.063 1.00 62.43 H new ATOM 0 HA THR A 101 -7.791 -4.872 2.619 1.00 42.42 H new ATOM 0 HB THR A 101 -9.743 -4.273 4.009 1.00 61.22 H new ATOM 0 HG1 THR A 101 -9.838 -5.122 6.201 1.00 44.24 H new ATOM 0 HG21 THR A 101 -10.641 -6.534 4.450 1.00 42.00 H new ATOM 0 HG22 THR A 101 -9.791 -6.453 2.889 1.00 42.00 H new ATOM 0 HG23 THR A 101 -9.002 -7.209 4.294 1.00 42.00 H new ATOM 1639 N VAL A 102 -7.897 -2.406 3.756 1.00 30.02 N ATOM 1640 CA VAL A 102 -7.515 -1.032 4.109 1.00 62.13 C ATOM 1641 C VAL A 102 -8.695 -0.252 4.715 1.00 51.22 C ATOM 1642 O VAL A 102 -9.825 -0.328 4.222 1.00 70.40 O ATOM 1643 CB VAL A 102 -6.971 -0.252 2.878 1.00 43.14 C ATOM 1644 CG1 VAL A 102 -5.716 -0.923 2.318 1.00 24.44 C ATOM 1645 CG2 VAL A 102 -8.044 -0.113 1.795 1.00 23.30 C ATOM 0 H VAL A 102 -8.756 -2.475 3.210 1.00 30.02 H new ATOM 0 HA VAL A 102 -6.724 -1.117 4.854 1.00 62.13 H new ATOM 0 HB VAL A 102 -6.700 0.750 3.211 1.00 43.14 H new ATOM 0 HG11 VAL A 102 -5.355 -0.359 1.458 1.00 24.44 H new ATOM 0 HG12 VAL A 102 -4.943 -0.948 3.086 1.00 24.44 H new ATOM 0 HG13 VAL A 102 -5.954 -1.941 2.010 1.00 24.44 H new ATOM 0 HG21 VAL A 102 -7.636 0.436 0.947 1.00 23.30 H new ATOM 0 HG22 VAL A 102 -8.361 -1.103 1.468 1.00 23.30 H new ATOM 0 HG23 VAL A 102 -8.901 0.427 2.199 1.00 23.30 H new ATOM 1655 N GLU A 103 -8.424 0.492 5.785 1.00 62.22 N ATOM 1656 CA GLU A 103 -9.433 1.351 6.425 1.00 54.15 C ATOM 1657 C GLU A 103 -9.040 2.828 6.278 1.00 61.04 C ATOM 1658 O GLU A 103 -7.859 3.164 6.299 1.00 54.15 O ATOM 1659 CB GLU A 103 -9.596 0.975 7.911 1.00 24.24 C ATOM 1660 CG GLU A 103 -8.280 0.874 8.679 1.00 63.33 C ATOM 1661 CD GLU A 103 -8.467 0.445 10.130 1.00 31.42 C ATOM 1662 OE1 GLU A 103 -8.744 -0.749 10.373 1.00 74.02 O ATOM 1663 OE2 GLU A 103 -8.344 1.302 11.030 1.00 44.35 O ATOM 0 H GLU A 103 -7.509 0.521 6.234 1.00 62.22 H new ATOM 0 HA GLU A 103 -10.391 1.197 5.928 1.00 54.15 H new ATOM 0 HB2 GLU A 103 -10.230 1.718 8.395 1.00 24.24 H new ATOM 0 HB3 GLU A 103 -10.117 0.020 7.978 1.00 24.24 H new ATOM 0 HG2 GLU A 103 -7.627 0.161 8.177 1.00 63.33 H new ATOM 0 HG3 GLU A 103 -7.776 1.840 8.654 1.00 63.33 H new ATOM 1670 N VAL A 104 -10.025 3.708 6.117 1.00 13.13 N ATOM 1671 CA VAL A 104 -9.737 5.123 5.837 1.00 31.12 C ATOM 1672 C VAL A 104 -9.810 6.006 7.094 1.00 62.42 C ATOM 1673 O VAL A 104 -10.695 5.856 7.942 1.00 1.40 O ATOM 1674 CB VAL A 104 -10.680 5.697 4.744 1.00 44.01 C ATOM 1675 CG1 VAL A 104 -10.479 4.963 3.418 1.00 54.44 C ATOM 1676 CG2 VAL A 104 -12.140 5.630 5.188 1.00 31.41 C ATOM 0 H VAL A 104 -11.017 3.477 6.173 1.00 13.13 H new ATOM 0 HA VAL A 104 -8.711 5.145 5.470 1.00 31.12 H new ATOM 0 HB VAL A 104 -10.425 6.746 4.595 1.00 44.01 H new ATOM 0 HG11 VAL A 104 -11.149 5.380 2.666 1.00 54.44 H new ATOM 0 HG12 VAL A 104 -9.446 5.081 3.090 1.00 54.44 H new ATOM 0 HG13 VAL A 104 -10.698 3.904 3.552 1.00 54.44 H new ATOM 0 HG21 VAL A 104 -12.778 6.038 4.404 1.00 31.41 H new ATOM 0 HG22 VAL A 104 -12.416 4.592 5.377 1.00 31.41 H new ATOM 0 HG23 VAL A 104 -12.270 6.211 6.101 1.00 31.41 H new ATOM 1686 N LEU A 105 -8.850 6.921 7.206 1.00 24.01 N ATOM 1687 CA LEU A 105 -8.829 7.920 8.276 1.00 0.01 C ATOM 1688 C LEU A 105 -9.077 9.321 7.693 1.00 40.04 C ATOM 1689 O LEU A 105 -8.958 9.515 6.484 1.00 54.44 O ATOM 1690 CB LEU A 105 -7.492 7.874 9.033 1.00 44.42 C ATOM 1691 CG LEU A 105 -7.106 6.499 9.613 1.00 64.11 C ATOM 1692 CD1 LEU A 105 -5.799 6.588 10.399 1.00 11.45 C ATOM 1693 CD2 LEU A 105 -8.229 5.937 10.488 1.00 74.31 C ATOM 0 H LEU A 105 -8.065 6.992 6.559 1.00 24.01 H new ATOM 0 HA LEU A 105 -9.625 7.692 8.984 1.00 0.01 H new ATOM 0 HB2 LEU A 105 -6.701 8.199 8.358 1.00 44.42 H new ATOM 0 HB3 LEU A 105 -7.531 8.595 9.849 1.00 44.42 H new ATOM 0 HG LEU A 105 -6.955 5.814 8.779 1.00 64.11 H new ATOM 0 HD11 LEU A 105 -5.547 5.606 10.799 1.00 11.45 H new ATOM 0 HD12 LEU A 105 -5.000 6.927 9.739 1.00 11.45 H new ATOM 0 HD13 LEU A 105 -5.916 7.295 11.221 1.00 11.45 H new ATOM 0 HD21 LEU A 105 -7.930 4.966 10.884 1.00 74.31 H new ATOM 0 HD22 LEU A 105 -8.424 6.622 11.313 1.00 74.31 H new ATOM 0 HD23 LEU A 105 -9.133 5.822 9.890 1.00 74.31 H new