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= -0.294 F(o=-1.3,f=-0.29) USER MOD Set 1.2: A 97 MET CE :methyl 139:sc= 0 (180deg=-0.00525) USER MOD Set 2.1: A 64 ASN : amide:sc= 0.575 K(o=1.6,f=0.46) USER MOD Set 2.2: A 100 SER OG : rot 160:sc= 0.999 USER MOD Set 3.1: A 33 THR OG1 : rot 164:sc= 0.986 USER MOD Set 3.2: A 43 LYS NZ :NH3+ 141:sc= 1.2 (180deg=-0.16) USER MOD Set 4.1: A 9 THR OG1 : rot -27:sc= 0.0383 USER MOD Set 4.2: A 53 THR OG1 : rot -73:sc= 0.858 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.909 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.035 USER MOD Single : A 26 MET CE :methyl 148:sc= -0.137 (180deg=-1.85) USER MOD Single : A 27 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.034) USER MOD Single : A 29 SER OG : rot 90:sc= 0.00501 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.0215 K(o=-0.022,f=-0.68) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 141:sc= -1.37 (180deg=-3.74!) USER MOD Single : A 69 LYS NZ :NH3+ -105:sc= -0.994 (180deg=-3.38!) USER MOD Single : A 70 LYS NZ :NH3+ 168:sc= -0.058 (180deg=-0.309) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 172:sc=-0.00847 (180deg=-0.107) USER MOD Single : A 95 HIS : no HD1:sc= 1.04 K(o=1,f=-8.4!) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 142 N THR A 9 4.879 3.408 13.013 1.00 42.24 N ATOM 143 CA THR A 9 4.712 4.257 11.831 1.00 32.51 C ATOM 144 C THR A 9 5.912 4.141 10.882 1.00 65.33 C ATOM 145 O THR A 9 6.858 3.396 11.139 1.00 52.01 O ATOM 146 CB THR A 9 4.524 5.739 12.227 1.00 60.21 C ATOM 147 OG1 THR A 9 5.671 6.208 12.954 1.00 75.13 O ATOM 148 CG2 THR A 9 3.270 5.922 13.075 1.00 61.21 C ATOM 0 HA THR A 9 3.817 3.906 11.317 1.00 32.51 H new ATOM 0 HB THR A 9 4.413 6.321 11.312 1.00 60.21 H new ATOM 0 HG1 THR A 9 6.096 5.455 13.415 1.00 75.13 H new ATOM 0 HG21 THR A 9 3.161 6.973 13.340 1.00 61.21 H new ATOM 0 HG22 THR A 9 2.397 5.598 12.508 1.00 61.21 H new ATOM 0 HG23 THR A 9 3.355 5.325 13.983 1.00 61.21 H new ATOM 156 N ILE A 10 5.874 4.906 9.791 1.00 74.10 N ATOM 157 CA ILE A 10 6.884 4.816 8.728 1.00 1.44 C ATOM 158 C ILE A 10 8.326 4.998 9.251 1.00 51.41 C ATOM 159 O ILE A 10 9.250 4.337 8.775 1.00 71.41 O ATOM 160 CB ILE A 10 6.587 5.837 7.601 1.00 35.24 C ATOM 161 CG1 ILE A 10 5.170 5.589 7.049 1.00 25.13 C ATOM 162 CG2 ILE A 10 7.632 5.737 6.487 1.00 52.42 C ATOM 163 CD1 ILE A 10 4.735 6.569 5.983 1.00 30.13 C ATOM 0 H ILE A 10 5.149 5.602 9.616 1.00 74.10 H new ATOM 0 HA ILE A 10 6.818 3.806 8.324 1.00 1.44 H new ATOM 0 HB ILE A 10 6.639 6.846 8.010 1.00 35.24 H new ATOM 0 HG12 ILE A 10 5.125 4.580 6.638 1.00 25.13 H new ATOM 0 HG13 ILE A 10 4.459 5.630 7.874 1.00 25.13 H new ATOM 0 HG21 ILE A 10 7.403 6.463 5.707 1.00 52.42 H new ATOM 0 HG22 ILE A 10 8.621 5.944 6.896 1.00 52.42 H new ATOM 0 HG23 ILE A 10 7.617 4.733 6.063 1.00 52.42 H new ATOM 0 HD11 ILE A 10 3.727 6.321 5.651 1.00 30.13 H new ATOM 0 HD12 ILE A 10 4.744 7.579 6.392 1.00 30.13 H new ATOM 0 HD13 ILE A 10 5.420 6.514 5.137 1.00 30.13 H new ATOM 175 N SER A 11 8.511 5.883 10.231 1.00 14.51 N ATOM 176 CA SER A 11 9.834 6.085 10.861 1.00 40.35 C ATOM 177 C SER A 11 10.337 4.806 11.552 1.00 11.52 C ATOM 178 O SER A 11 11.535 4.516 11.561 1.00 75.14 O ATOM 179 CB SER A 11 9.777 7.226 11.886 1.00 3.33 C ATOM 180 OG SER A 11 11.014 7.381 12.562 1.00 65.21 O ATOM 0 H SER A 11 7.771 6.473 10.611 1.00 14.51 H new ATOM 0 HA SER A 11 10.531 6.344 10.064 1.00 40.35 H new ATOM 0 HB2 SER A 11 9.518 8.157 11.381 1.00 3.33 H new ATOM 0 HB3 SER A 11 8.988 7.026 12.611 1.00 3.33 H new ATOM 0 HG SER A 11 10.945 8.116 13.206 1.00 65.21 H new ATOM 186 N LYS A 12 9.411 4.042 12.119 1.00 21.31 N ATOM 187 CA LYS A 12 9.745 2.822 12.864 1.00 12.02 C ATOM 188 C LYS A 12 9.913 1.599 11.937 1.00 53.12 C ATOM 189 O LYS A 12 10.678 0.681 12.245 1.00 64.22 O ATOM 190 CB LYS A 12 8.641 2.533 13.886 1.00 35.35 C ATOM 191 CG LYS A 12 8.520 3.555 15.015 1.00 71.24 C ATOM 192 CD LYS A 12 9.700 3.485 15.983 1.00 72.23 C ATOM 193 CE LYS A 12 9.453 4.328 17.231 1.00 22.21 C ATOM 194 NZ LYS A 12 10.584 4.251 18.190 1.00 22.22 N ATOM 0 H LYS A 12 8.412 4.244 12.079 1.00 21.31 H new ATOM 0 HA LYS A 12 10.698 2.992 13.365 1.00 12.02 H new ATOM 0 HB2 LYS A 12 7.687 2.479 13.362 1.00 35.35 H new ATOM 0 HB3 LYS A 12 8.820 1.551 14.323 1.00 35.35 H new ATOM 0 HG2 LYS A 12 8.459 4.557 14.591 1.00 71.24 H new ATOM 0 HG3 LYS A 12 7.593 3.383 15.561 1.00 71.24 H new ATOM 0 HD2 LYS A 12 9.874 2.448 16.272 1.00 72.23 H new ATOM 0 HD3 LYS A 12 10.604 3.832 15.482 1.00 72.23 H new ATOM 0 HE2 LYS A 12 9.294 5.367 16.941 1.00 22.21 H new ATOM 0 HE3 LYS A 12 8.539 3.991 17.721 1.00 22.21 H new ATOM 0 HZ1 LYS A 12 10.374 4.838 19.022 1.00 22.22 H new ATOM 0 HZ2 LYS A 12 10.720 3.264 18.488 1.00 22.22 H new ATOM 0 HZ3 LYS A 12 11.451 4.597 17.732 1.00 22.22 H new ATOM 208 N LEU A 13 9.196 1.597 10.808 1.00 34.31 N ATOM 209 CA LEU A 13 9.168 0.446 9.884 1.00 4.41 C ATOM 210 C LEU A 13 10.573 -0.065 9.513 1.00 41.30 C ATOM 211 O LEU A 13 11.474 0.714 9.189 1.00 11.15 O ATOM 212 CB LEU A 13 8.408 0.810 8.599 1.00 45.55 C ATOM 213 CG LEU A 13 6.926 1.178 8.784 1.00 12.43 C ATOM 214 CD1 LEU A 13 6.283 1.513 7.443 1.00 24.31 C ATOM 215 CD2 LEU A 13 6.169 0.051 9.482 1.00 31.23 C ATOM 0 H LEU A 13 8.621 2.384 10.506 1.00 34.31 H new ATOM 0 HA LEU A 13 8.656 -0.357 10.413 1.00 4.41 H new ATOM 0 HB2 LEU A 13 8.915 1.649 8.124 1.00 45.55 H new ATOM 0 HB3 LEU A 13 8.471 -0.032 7.910 1.00 45.55 H new ATOM 0 HG LEU A 13 6.872 2.063 9.418 1.00 12.43 H new ATOM 0 HD11 LEU A 13 5.235 1.770 7.596 1.00 24.31 H new ATOM 0 HD12 LEU A 13 6.802 2.359 6.992 1.00 24.31 H new ATOM 0 HD13 LEU A 13 6.351 0.650 6.781 1.00 24.31 H new ATOM 0 HD21 LEU A 13 5.123 0.335 9.602 1.00 31.23 H new ATOM 0 HD22 LEU A 13 6.233 -0.856 8.881 1.00 31.23 H new ATOM 0 HD23 LEU A 13 6.610 -0.131 10.462 1.00 31.23 H new ATOM 227 N GLU A 14 10.735 -1.385 9.551 1.00 63.01 N ATOM 228 CA GLU A 14 12.001 -2.037 9.198 1.00 74.23 C ATOM 229 C GLU A 14 11.788 -3.137 8.150 1.00 4.33 C ATOM 230 O GLU A 14 10.812 -3.889 8.207 1.00 41.43 O ATOM 231 CB GLU A 14 12.659 -2.638 10.449 1.00 72.24 C ATOM 232 CG GLU A 14 13.915 -3.456 10.153 1.00 12.33 C ATOM 233 CD GLU A 14 14.610 -3.954 11.408 1.00 32.21 C ATOM 234 OE1 GLU A 14 14.238 -5.032 11.915 1.00 11.41 O ATOM 235 OE2 GLU A 14 15.535 -3.264 11.892 1.00 75.04 O ATOM 0 H GLU A 14 9.998 -2.034 9.826 1.00 63.01 H new ATOM 0 HA GLU A 14 12.657 -1.278 8.772 1.00 74.23 H new ATOM 0 HB2 GLU A 14 12.916 -1.832 11.136 1.00 72.24 H new ATOM 0 HB3 GLU A 14 11.935 -3.273 10.959 1.00 72.24 H new ATOM 0 HG2 GLU A 14 13.647 -4.309 9.530 1.00 12.33 H new ATOM 0 HG3 GLU A 14 14.611 -2.847 9.577 1.00 12.33 H new ATOM 242 N GLU A 15 12.714 -3.231 7.198 1.00 14.13 N ATOM 243 CA GLU A 15 12.663 -4.275 6.170 1.00 4.05 C ATOM 244 C GLU A 15 12.777 -5.678 6.791 1.00 23.12 C ATOM 245 O GLU A 15 13.689 -5.957 7.572 1.00 43.23 O ATOM 246 CB GLU A 15 13.773 -4.051 5.134 1.00 31.05 C ATOM 247 CG GLU A 15 15.176 -3.945 5.727 1.00 0.33 C ATOM 248 CD GLU A 15 16.231 -3.649 4.673 1.00 3.42 C ATOM 249 OE1 GLU A 15 16.776 -4.606 4.082 1.00 51.14 O ATOM 250 OE2 GLU A 15 16.515 -2.457 4.423 1.00 75.13 O ATOM 0 H GLU A 15 13.510 -2.598 7.115 1.00 14.13 H new ATOM 0 HA GLU A 15 11.696 -4.212 5.671 1.00 4.05 H new ATOM 0 HB2 GLU A 15 13.756 -4.872 4.417 1.00 31.05 H new ATOM 0 HB3 GLU A 15 13.556 -3.138 4.579 1.00 31.05 H new ATOM 0 HG2 GLU A 15 15.190 -3.159 6.482 1.00 0.33 H new ATOM 0 HG3 GLU A 15 15.425 -4.877 6.234 1.00 0.33 H new ATOM 257 N GLY A 16 11.835 -6.553 6.443 1.00 65.44 N ATOM 258 CA GLY A 16 11.808 -7.902 7.002 1.00 55.11 C ATOM 259 C GLY A 16 10.752 -8.075 8.093 1.00 42.35 C ATOM 260 O GLY A 16 10.507 -9.188 8.563 1.00 24.14 O ATOM 0 H GLY A 16 11.085 -6.353 5.781 1.00 65.44 H new ATOM 0 HA2 GLY A 16 11.616 -8.617 6.202 1.00 55.11 H new ATOM 0 HA3 GLY A 16 12.789 -8.139 7.413 1.00 55.11 H new ATOM 264 N ALA A 17 10.140 -6.969 8.515 1.00 31.40 N ATOM 265 CA ALA A 17 9.080 -7.005 9.530 1.00 31.10 C ATOM 266 C ALA A 17 7.675 -7.035 8.898 1.00 2.11 C ATOM 267 O ALA A 17 7.435 -6.415 7.857 1.00 4.32 O ATOM 268 CB ALA A 17 9.219 -5.805 10.461 1.00 15.43 C ATOM 0 H ALA A 17 10.358 -6.034 8.171 1.00 31.40 H new ATOM 0 HA ALA A 17 9.195 -7.926 10.101 1.00 31.10 H new ATOM 0 HB1 ALA A 17 8.431 -5.835 11.213 1.00 15.43 H new ATOM 0 HB2 ALA A 17 10.191 -5.837 10.953 1.00 15.43 H new ATOM 0 HB3 ALA A 17 9.135 -4.885 9.883 1.00 15.43 H new ATOM 274 N GLU A 18 6.752 -7.766 9.530 1.00 42.14 N ATOM 275 CA GLU A 18 5.349 -7.794 9.096 1.00 3.40 C ATOM 276 C GLU A 18 4.474 -6.988 10.069 1.00 3.02 C ATOM 277 O GLU A 18 4.234 -7.406 11.202 1.00 2.05 O ATOM 278 CB GLU A 18 4.854 -9.251 9.006 1.00 73.45 C ATOM 279 CG GLU A 18 3.393 -9.396 8.583 1.00 22.04 C ATOM 280 CD GLU A 18 2.988 -10.848 8.344 1.00 45.33 C ATOM 281 OE1 GLU A 18 3.225 -11.363 7.229 1.00 12.31 O ATOM 282 OE2 GLU A 18 2.430 -11.481 9.269 1.00 41.51 O ATOM 0 H GLU A 18 6.950 -8.347 10.345 1.00 42.14 H new ATOM 0 HA GLU A 18 5.276 -7.338 8.109 1.00 3.40 H new ATOM 0 HB2 GLU A 18 5.480 -9.792 8.296 1.00 73.45 H new ATOM 0 HB3 GLU A 18 4.988 -9.728 9.977 1.00 73.45 H new ATOM 0 HG2 GLU A 18 2.752 -8.967 9.353 1.00 22.04 H new ATOM 0 HG3 GLU A 18 3.225 -8.822 7.672 1.00 22.04 H new ATOM 289 N THR A 19 4.006 -5.826 9.616 1.00 74.22 N ATOM 290 CA THR A 19 3.210 -4.914 10.454 1.00 42.24 C ATOM 291 C THR A 19 2.253 -4.062 9.601 1.00 73.33 C ATOM 292 O THR A 19 2.550 -3.779 8.444 1.00 55.03 O ATOM 293 CB THR A 19 4.125 -3.972 11.286 1.00 24.24 C ATOM 294 OG1 THR A 19 3.336 -3.046 12.050 1.00 61.11 O ATOM 295 CG2 THR A 19 5.091 -3.204 10.391 1.00 12.22 C ATOM 0 H THR A 19 4.163 -5.487 8.667 1.00 74.22 H new ATOM 0 HA THR A 19 2.625 -5.536 11.132 1.00 42.24 H new ATOM 0 HB THR A 19 4.705 -4.596 11.966 1.00 24.24 H new ATOM 0 HG1 THR A 19 3.928 -2.462 12.569 1.00 61.11 H new ATOM 0 HG21 THR A 19 5.716 -2.555 11.004 1.00 12.22 H new ATOM 0 HG22 THR A 19 5.722 -3.908 9.848 1.00 12.22 H new ATOM 0 HG23 THR A 19 4.527 -2.600 9.681 1.00 12.22 H new ATOM 303 N PRO A 20 1.090 -3.649 10.149 1.00 33.42 N ATOM 304 CA PRO A 20 0.179 -2.708 9.462 1.00 64.20 C ATOM 305 C PRO A 20 0.764 -1.285 9.375 1.00 23.23 C ATOM 306 O PRO A 20 1.577 -0.888 10.211 1.00 34.13 O ATOM 307 CB PRO A 20 -1.077 -2.727 10.345 1.00 75.32 C ATOM 308 CG PRO A 20 -0.576 -3.100 11.699 1.00 14.10 C ATOM 309 CD PRO A 20 0.555 -4.069 11.460 1.00 51.15 C ATOM 0 HA PRO A 20 -0.008 -2.997 8.428 1.00 64.20 H new ATOM 0 HB2 PRO A 20 -1.568 -1.754 10.358 1.00 75.32 H new ATOM 0 HB3 PRO A 20 -1.808 -3.448 9.980 1.00 75.32 H new ATOM 0 HG2 PRO A 20 -0.231 -2.222 12.245 1.00 14.10 H new ATOM 0 HG3 PRO A 20 -1.365 -3.557 12.296 1.00 14.10 H new ATOM 0 HD2 PRO A 20 1.311 -4.006 12.242 1.00 51.15 H new ATOM 0 HD3 PRO A 20 0.204 -5.101 11.439 1.00 51.15 H new ATOM 317 N VAL A 21 0.345 -0.521 8.361 1.00 55.33 N ATOM 318 CA VAL A 21 0.851 0.847 8.151 1.00 4.04 C ATOM 319 C VAL A 21 -0.293 1.873 8.040 1.00 21.53 C ATOM 320 O VAL A 21 -1.383 1.560 7.559 1.00 54.31 O ATOM 321 CB VAL A 21 1.742 0.934 6.882 1.00 33.45 C ATOM 322 CG1 VAL A 21 2.960 0.020 7.012 1.00 24.00 C ATOM 323 CG2 VAL A 21 0.941 0.594 5.624 1.00 64.42 C ATOM 0 H VAL A 21 -0.343 -0.823 7.671 1.00 55.33 H new ATOM 0 HA VAL A 21 1.452 1.089 9.027 1.00 4.04 H new ATOM 0 HB VAL A 21 2.094 1.961 6.788 1.00 33.45 H new ATOM 0 HG11 VAL A 21 3.570 0.097 6.112 1.00 24.00 H new ATOM 0 HG12 VAL A 21 3.550 0.321 7.877 1.00 24.00 H new ATOM 0 HG13 VAL A 21 2.629 -1.011 7.139 1.00 24.00 H new ATOM 0 HG21 VAL A 21 1.589 0.663 4.750 1.00 64.42 H new ATOM 0 HG22 VAL A 21 0.548 -0.419 5.706 1.00 64.42 H new ATOM 0 HG23 VAL A 21 0.114 1.296 5.518 1.00 64.42 H new ATOM 333 N THR A 22 -0.028 3.102 8.484 1.00 64.22 N ATOM 334 CA THR A 22 -1.020 4.193 8.440 1.00 51.11 C ATOM 335 C THR A 22 -0.401 5.480 7.867 1.00 40.15 C ATOM 336 O THR A 22 0.777 5.762 8.090 1.00 4.02 O ATOM 337 CB THR A 22 -1.593 4.502 9.853 1.00 21.04 C ATOM 338 OG1 THR A 22 -2.179 3.323 10.425 1.00 63.41 O ATOM 339 CG2 THR A 22 -2.646 5.607 9.800 1.00 24.44 C ATOM 0 H THR A 22 0.871 3.375 8.882 1.00 64.22 H new ATOM 0 HA THR A 22 -1.829 3.855 7.792 1.00 51.11 H new ATOM 0 HB THR A 22 -0.762 4.840 10.473 1.00 21.04 H new ATOM 0 HG1 THR A 22 -2.534 3.532 11.314 1.00 63.41 H new ATOM 0 HG21 THR A 22 -3.025 5.797 10.804 1.00 24.44 H new ATOM 0 HG22 THR A 22 -2.198 6.518 9.403 1.00 24.44 H new ATOM 0 HG23 THR A 22 -3.468 5.296 9.155 1.00 24.44 H new ATOM 347 N GLY A 23 -1.197 6.258 7.130 1.00 34.41 N ATOM 348 CA GLY A 23 -0.707 7.518 6.571 1.00 55.33 C ATOM 349 C GLY A 23 -1.672 8.156 5.573 1.00 73.34 C ATOM 350 O GLY A 23 -2.738 7.606 5.281 1.00 25.30 O ATOM 0 H GLY A 23 -2.169 6.042 6.909 1.00 34.41 H new ATOM 0 HA2 GLY A 23 -0.521 8.220 7.384 1.00 55.33 H new ATOM 0 HA3 GLY A 23 0.249 7.341 6.078 1.00 55.33 H new ATOM 354 N ARG A 24 -1.302 9.325 5.046 1.00 23.25 N ATOM 355 CA ARG A 24 -2.136 10.023 4.059 1.00 13.10 C ATOM 356 C ARG A 24 -1.754 9.652 2.621 1.00 65.41 C ATOM 357 O ARG A 24 -0.577 9.507 2.297 1.00 63.13 O ATOM 358 CB ARG A 24 -2.036 11.544 4.222 1.00 25.23 C ATOM 359 CG ARG A 24 -2.615 12.078 5.526 1.00 63.42 C ATOM 360 CD ARG A 24 -2.830 13.588 5.452 1.00 42.23 C ATOM 361 NE ARG A 24 -3.700 13.953 4.330 1.00 2.43 N ATOM 362 CZ ARG A 24 -3.933 15.178 3.936 1.00 51.34 C ATOM 363 NH1 ARG A 24 -3.402 16.188 4.548 1.00 23.40 N ATOM 364 NH2 ARG A 24 -4.706 15.383 2.919 1.00 60.34 N ATOM 0 H ARG A 24 -0.435 9.808 5.283 1.00 23.25 H new ATOM 0 HA ARG A 24 -3.161 9.703 4.244 1.00 13.10 H new ATOM 0 HB2 ARG A 24 -0.988 11.836 4.158 1.00 25.23 H new ATOM 0 HB3 ARG A 24 -2.551 12.021 3.388 1.00 25.23 H new ATOM 0 HG2 ARG A 24 -3.562 11.582 5.737 1.00 63.42 H new ATOM 0 HG3 ARG A 24 -1.942 11.843 6.350 1.00 63.42 H new ATOM 0 HD2 ARG A 24 -3.271 13.940 6.385 1.00 42.23 H new ATOM 0 HD3 ARG A 24 -1.868 14.089 5.345 1.00 42.23 H new ATOM 0 HE ARG A 24 -4.157 13.197 3.820 1.00 2.43 H new ATOM 0 HH11 ARG A 24 -2.791 16.035 5.351 1.00 23.40 H new ATOM 0 HH12 ARG A 24 -3.594 17.137 4.228 1.00 23.40 H new ATOM 0 HH21 ARG A 24 -5.128 14.593 2.432 1.00 60.34 H new ATOM 0 HH22 ARG A 24 -4.893 16.335 2.605 1.00 60.34 H new ATOM 378 N VAL A 25 -2.753 9.518 1.759 1.00 5.00 N ATOM 379 CA VAL A 25 -2.514 9.226 0.345 1.00 65.35 C ATOM 380 C VAL A 25 -2.094 10.496 -0.408 1.00 15.44 C ATOM 381 O VAL A 25 -2.886 11.425 -0.563 1.00 14.35 O ATOM 382 CB VAL A 25 -3.773 8.629 -0.327 1.00 43.11 C ATOM 383 CG1 VAL A 25 -3.485 8.239 -1.775 1.00 2.35 C ATOM 384 CG2 VAL A 25 -4.294 7.436 0.467 1.00 52.04 C ATOM 0 H VAL A 25 -3.738 9.606 2.010 1.00 5.00 H new ATOM 0 HA VAL A 25 -1.709 8.493 0.298 1.00 65.35 H new ATOM 0 HB VAL A 25 -4.549 9.394 -0.335 1.00 43.11 H new ATOM 0 HG11 VAL A 25 -4.386 7.822 -2.225 1.00 2.35 H new ATOM 0 HG12 VAL A 25 -3.175 9.121 -2.335 1.00 2.35 H new ATOM 0 HG13 VAL A 25 -2.689 7.495 -1.800 1.00 2.35 H new ATOM 0 HG21 VAL A 25 -5.180 7.031 -0.023 1.00 52.04 H new ATOM 0 HG22 VAL A 25 -3.523 6.667 0.516 1.00 52.04 H new ATOM 0 HG23 VAL A 25 -4.552 7.756 1.477 1.00 52.04 H new ATOM 394 N MET A 26 -0.845 10.543 -0.863 1.00 51.23 N ATOM 395 CA MET A 26 -0.336 11.717 -1.581 1.00 23.15 C ATOM 396 C MET A 26 -0.413 11.517 -3.100 1.00 32.31 C ATOM 397 O MET A 26 -0.994 12.331 -3.814 1.00 2.22 O ATOM 398 CB MET A 26 1.107 12.010 -1.154 1.00 53.21 C ATOM 399 CG MET A 26 1.690 13.275 -1.770 1.00 11.02 C ATOM 400 SD MET A 26 3.333 13.659 -1.134 1.00 24.51 S ATOM 401 CE MET A 26 4.228 12.172 -1.573 1.00 11.44 C ATOM 0 H MET A 26 -0.167 9.789 -0.750 1.00 51.23 H new ATOM 0 HA MET A 26 -0.964 12.570 -1.324 1.00 23.15 H new ATOM 0 HB2 MET A 26 1.143 12.097 -0.068 1.00 53.21 H new ATOM 0 HB3 MET A 26 1.735 11.162 -1.427 1.00 53.21 H new ATOM 0 HG2 MET A 26 1.741 13.158 -2.852 1.00 11.02 H new ATOM 0 HG3 MET A 26 1.022 14.113 -1.571 1.00 11.02 H new ATOM 0 HE1 MET A 26 5.267 12.422 -1.786 1.00 11.44 H new ATOM 0 HE2 MET A 26 4.188 11.465 -0.744 1.00 11.44 H new ATOM 0 HE3 MET A 26 3.775 11.722 -2.456 1.00 11.44 H new ATOM 411 N LYS A 27 0.180 10.428 -3.589 1.00 51.42 N ATOM 412 CA LYS A 27 0.158 10.102 -5.023 1.00 52.44 C ATOM 413 C LYS A 27 -0.291 8.650 -5.246 1.00 4.14 C ATOM 414 O LYS A 27 0.009 7.772 -4.441 1.00 51.24 O ATOM 415 CB LYS A 27 1.545 10.302 -5.657 1.00 5.42 C ATOM 416 CG LYS A 27 2.096 11.727 -5.579 1.00 41.14 C ATOM 417 CD LYS A 27 1.126 12.755 -6.160 1.00 13.31 C ATOM 418 CE LYS A 27 1.826 14.063 -6.521 1.00 64.10 C ATOM 419 NZ LYS A 27 2.553 14.659 -5.368 1.00 3.11 N ATOM 0 H LYS A 27 0.684 9.752 -3.015 1.00 51.42 H new ATOM 0 HA LYS A 27 -0.553 10.778 -5.498 1.00 52.44 H new ATOM 0 HB2 LYS A 27 2.250 9.629 -5.169 1.00 5.42 H new ATOM 0 HB3 LYS A 27 1.494 10.006 -6.705 1.00 5.42 H new ATOM 0 HG2 LYS A 27 2.307 11.976 -4.539 1.00 41.14 H new ATOM 0 HG3 LYS A 27 3.042 11.779 -6.117 1.00 41.14 H new ATOM 0 HD2 LYS A 27 0.650 12.342 -7.049 1.00 13.31 H new ATOM 0 HD3 LYS A 27 0.334 12.955 -5.438 1.00 13.31 H new ATOM 0 HE2 LYS A 27 2.528 13.883 -7.335 1.00 64.10 H new ATOM 0 HE3 LYS A 27 1.088 14.776 -6.889 1.00 64.10 H new ATOM 0 HZ1 LYS A 27 2.895 15.607 -5.626 1.00 3.11 H new ATOM 0 HZ2 LYS A 27 1.911 14.732 -4.553 1.00 3.11 H new ATOM 0 HZ3 LYS A 27 3.362 14.055 -5.118 1.00 3.11 H new ATOM 433 N ILE A 28 -1.009 8.401 -6.338 1.00 55.14 N ATOM 434 CA ILE A 28 -1.412 7.035 -6.712 1.00 55.23 C ATOM 435 C ILE A 28 -0.995 6.709 -8.157 1.00 3.34 C ATOM 436 O ILE A 28 -1.321 7.451 -9.086 1.00 21.43 O ATOM 437 CB ILE A 28 -2.948 6.832 -6.574 1.00 40.24 C ATOM 438 CG1 ILE A 28 -3.400 7.090 -5.128 1.00 53.24 C ATOM 439 CG2 ILE A 28 -3.356 5.426 -7.022 1.00 75.41 C ATOM 440 CD1 ILE A 28 -4.893 6.925 -4.907 1.00 51.53 C ATOM 0 H ILE A 28 -1.327 9.123 -6.984 1.00 55.14 H new ATOM 0 HA ILE A 28 -0.902 6.360 -6.025 1.00 55.23 H new ATOM 0 HB ILE A 28 -3.444 7.552 -7.224 1.00 40.24 H new ATOM 0 HG12 ILE A 28 -2.868 6.408 -4.465 1.00 53.24 H new ATOM 0 HG13 ILE A 28 -3.111 8.102 -4.843 1.00 53.24 H new ATOM 0 HG21 ILE A 28 -4.434 5.309 -6.916 1.00 75.41 H new ATOM 0 HG22 ILE A 28 -3.076 5.281 -8.065 1.00 75.41 H new ATOM 0 HG23 ILE A 28 -2.848 4.686 -6.404 1.00 75.41 H new ATOM 0 HD11 ILE A 28 -5.130 7.124 -3.862 1.00 51.53 H new ATOM 0 HD12 ILE A 28 -5.434 7.626 -5.542 1.00 51.53 H new ATOM 0 HD13 ILE A 28 -5.188 5.906 -5.158 1.00 51.53 H new ATOM 452 N SER A 29 -0.273 5.602 -8.341 1.00 53.44 N ATOM 453 CA SER A 29 0.149 5.160 -9.683 1.00 35.01 C ATOM 454 C SER A 29 -0.812 4.105 -10.248 1.00 64.43 C ATOM 455 O SER A 29 -1.407 3.329 -9.499 1.00 64.50 O ATOM 456 CB SER A 29 1.571 4.577 -9.639 1.00 23.21 C ATOM 457 OG SER A 29 2.494 5.508 -9.094 1.00 54.21 O ATOM 0 H SER A 29 0.034 4.992 -7.583 1.00 53.44 H new ATOM 0 HA SER A 29 0.135 6.034 -10.334 1.00 35.01 H new ATOM 0 HB2 SER A 29 1.574 3.666 -9.041 1.00 23.21 H new ATOM 0 HB3 SER A 29 1.883 4.299 -10.645 1.00 23.21 H new ATOM 0 HG SER A 29 2.543 5.390 -8.122 1.00 54.21 H new ATOM 463 N SER A 30 -0.960 4.074 -11.572 1.00 12.14 N ATOM 464 CA SER A 30 -1.846 3.097 -12.229 1.00 54.04 C ATOM 465 C SER A 30 -1.317 1.657 -12.088 1.00 65.44 C ATOM 466 O SER A 30 -0.109 1.436 -11.970 1.00 61.01 O ATOM 467 CB SER A 30 -2.016 3.428 -13.718 1.00 1.15 C ATOM 468 OG SER A 30 -2.460 4.763 -13.909 1.00 43.42 O ATOM 0 H SER A 30 -0.483 4.708 -12.213 1.00 12.14 H new ATOM 0 HA SER A 30 -2.812 3.162 -11.728 1.00 54.04 H new ATOM 0 HB2 SER A 30 -1.067 3.282 -14.234 1.00 1.15 H new ATOM 0 HB3 SER A 30 -2.732 2.738 -14.165 1.00 1.15 H new ATOM 0 HG SER A 30 -2.556 4.942 -14.868 1.00 43.42 H new ATOM 474 N PRO A 31 -2.221 0.657 -12.112 1.00 42.01 N ATOM 475 CA PRO A 31 -1.845 -0.766 -11.982 1.00 73.34 C ATOM 476 C PRO A 31 -1.160 -1.343 -13.241 1.00 10.23 C ATOM 477 O PRO A 31 -1.708 -1.294 -14.343 1.00 71.51 O ATOM 478 CB PRO A 31 -3.197 -1.454 -11.744 1.00 52.14 C ATOM 479 CG PRO A 31 -4.183 -0.576 -12.439 1.00 5.14 C ATOM 480 CD PRO A 31 -3.684 0.830 -12.249 1.00 5.44 C ATOM 0 HA PRO A 31 -1.112 -0.916 -11.189 1.00 73.34 H new ATOM 0 HB2 PRO A 31 -3.207 -2.465 -12.152 1.00 52.14 H new ATOM 0 HB3 PRO A 31 -3.419 -1.538 -10.680 1.00 52.14 H new ATOM 0 HG2 PRO A 31 -4.252 -0.827 -13.497 1.00 5.14 H new ATOM 0 HG3 PRO A 31 -5.181 -0.697 -12.017 1.00 5.14 H new ATOM 0 HD2 PRO A 31 -3.936 1.464 -13.099 1.00 5.44 H new ATOM 0 HD3 PRO A 31 -4.119 1.295 -11.364 1.00 5.44 H new ATOM 488 N ARG A 32 0.038 -1.900 -13.065 1.00 62.31 N ATOM 489 CA ARG A 32 0.779 -2.543 -14.159 1.00 71.24 C ATOM 490 C ARG A 32 0.508 -4.055 -14.200 1.00 51.21 C ATOM 491 O ARG A 32 0.428 -4.707 -13.161 1.00 61.41 O ATOM 492 CB ARG A 32 2.286 -2.302 -13.988 1.00 44.20 C ATOM 493 CG ARG A 32 3.147 -3.042 -15.009 1.00 22.31 C ATOM 494 CD ARG A 32 4.636 -2.887 -14.726 1.00 43.20 C ATOM 495 NE ARG A 32 5.447 -3.693 -15.639 1.00 5.22 N ATOM 496 CZ ARG A 32 6.168 -4.718 -15.273 1.00 73.12 C ATOM 497 NH1 ARG A 32 6.225 -5.076 -14.029 1.00 12.14 N ATOM 498 NH2 ARG A 32 6.837 -5.383 -16.156 1.00 34.35 N ATOM 0 H ARG A 32 0.523 -1.920 -12.168 1.00 62.31 H new ATOM 0 HA ARG A 32 0.439 -2.103 -15.096 1.00 71.24 H new ATOM 0 HB2 ARG A 32 2.485 -1.233 -14.065 1.00 44.20 H new ATOM 0 HB3 ARG A 32 2.582 -2.610 -12.985 1.00 44.20 H new ATOM 0 HG2 ARG A 32 2.886 -4.100 -15.003 1.00 22.31 H new ATOM 0 HG3 ARG A 32 2.928 -2.665 -16.008 1.00 22.31 H new ATOM 0 HD2 ARG A 32 4.917 -1.838 -14.819 1.00 43.20 H new ATOM 0 HD3 ARG A 32 4.844 -3.182 -13.698 1.00 43.20 H new ATOM 0 HE ARG A 32 5.449 -3.437 -16.626 1.00 5.22 H new ATOM 0 HH11 ARG A 32 5.703 -4.555 -13.324 1.00 12.14 H new ATOM 0 HH12 ARG A 32 6.792 -5.879 -13.755 1.00 12.14 H new ATOM 0 HH21 ARG A 32 6.801 -5.107 -17.137 1.00 34.35 H new ATOM 0 HH22 ARG A 32 7.401 -6.184 -15.872 1.00 34.35 H new ATOM 512 N THR A 33 0.388 -4.606 -15.405 1.00 25.43 N ATOM 513 CA THR A 33 0.147 -6.044 -15.585 1.00 41.43 C ATOM 514 C THR A 33 1.472 -6.798 -15.775 1.00 1.03 C ATOM 515 O THR A 33 2.363 -6.327 -16.484 1.00 43.50 O ATOM 516 CB THR A 33 -0.761 -6.316 -16.813 1.00 62.31 C ATOM 517 OG1 THR A 33 -1.866 -5.398 -16.828 1.00 21.40 O ATOM 518 CG2 THR A 33 -1.310 -7.738 -16.789 1.00 20.52 C ATOM 0 H THR A 33 0.453 -4.081 -16.277 1.00 25.43 H new ATOM 0 HA THR A 33 -0.354 -6.399 -14.685 1.00 41.43 H new ATOM 0 HB THR A 33 -0.151 -6.183 -17.707 1.00 62.31 H new ATOM 0 HG1 THR A 33 -2.281 -5.400 -17.716 1.00 21.40 H new ATOM 0 HG21 THR A 33 -1.943 -7.899 -17.662 1.00 20.52 H new ATOM 0 HG22 THR A 33 -0.483 -8.448 -16.805 1.00 20.52 H new ATOM 0 HG23 THR A 33 -1.898 -7.886 -15.883 1.00 20.52 H new ATOM 526 N PHE A 34 1.599 -7.968 -15.151 1.00 14.13 N ATOM 527 CA PHE A 34 2.823 -8.776 -15.273 1.00 54.21 C ATOM 528 C PHE A 34 2.506 -10.241 -15.614 1.00 4.12 C ATOM 529 O PHE A 34 1.348 -10.653 -15.633 1.00 41.42 O ATOM 530 CB PHE A 34 3.670 -8.696 -13.991 1.00 42.13 C ATOM 531 CG PHE A 34 3.014 -9.264 -12.752 1.00 11.33 C ATOM 532 CD1 PHE A 34 3.003 -10.634 -12.516 1.00 2.33 C ATOM 533 CD2 PHE A 34 2.421 -8.429 -11.818 1.00 5.53 C ATOM 534 CE1 PHE A 34 2.411 -11.152 -11.382 1.00 61.21 C ATOM 535 CE2 PHE A 34 1.832 -8.947 -10.682 1.00 22.44 C ATOM 536 CZ PHE A 34 1.826 -10.308 -10.464 1.00 35.12 C ATOM 0 H PHE A 34 0.878 -8.380 -14.559 1.00 14.13 H new ATOM 0 HA PHE A 34 3.401 -8.358 -16.097 1.00 54.21 H new ATOM 0 HB2 PHE A 34 4.609 -9.224 -14.161 1.00 42.13 H new ATOM 0 HB3 PHE A 34 3.921 -7.652 -13.804 1.00 42.13 H new ATOM 0 HD1 PHE A 34 3.464 -11.301 -13.229 1.00 2.33 H new ATOM 0 HD2 PHE A 34 2.420 -7.361 -11.981 1.00 5.53 H new ATOM 0 HE1 PHE A 34 2.406 -12.219 -11.214 1.00 61.21 H new ATOM 0 HE2 PHE A 34 1.375 -8.284 -9.962 1.00 22.44 H new ATOM 0 HZ PHE A 34 1.364 -10.712 -9.575 1.00 35.12 H new ATOM 666 N GLY A 42 -2.518 -11.269 -13.174 1.00 32.01 N ATOM 667 CA GLY A 42 -1.352 -10.720 -12.482 1.00 43.12 C ATOM 668 C GLY A 42 -1.137 -9.221 -12.727 1.00 14.11 C ATOM 669 O GLY A 42 -0.867 -8.792 -13.850 1.00 14.53 O ATOM 0 HA2 GLY A 42 -1.462 -10.892 -11.411 1.00 43.12 H new ATOM 0 HA3 GLY A 42 -0.462 -11.262 -12.802 1.00 43.12 H new ATOM 673 N LYS A 43 -1.244 -8.431 -11.660 1.00 61.32 N ATOM 674 CA LYS A 43 -1.029 -6.973 -11.711 1.00 41.20 C ATOM 675 C LYS A 43 -0.413 -6.458 -10.400 1.00 71.31 C ATOM 676 O LYS A 43 -0.464 -7.133 -9.370 1.00 52.25 O ATOM 677 CB LYS A 43 -2.342 -6.212 -11.971 1.00 51.03 C ATOM 678 CG LYS A 43 -2.892 -6.335 -13.390 1.00 4.43 C ATOM 679 CD LYS A 43 -4.172 -5.510 -13.562 1.00 20.43 C ATOM 680 CE LYS A 43 -4.288 -4.901 -14.956 1.00 23.30 C ATOM 681 NZ LYS A 43 -4.316 -5.927 -16.027 1.00 34.01 N ATOM 0 H LYS A 43 -1.482 -8.778 -10.731 1.00 61.32 H new ATOM 0 HA LYS A 43 -0.342 -6.790 -12.537 1.00 41.20 H new ATOM 0 HB2 LYS A 43 -3.097 -6.573 -11.273 1.00 51.03 H new ATOM 0 HB3 LYS A 43 -2.182 -5.157 -11.750 1.00 51.03 H new ATOM 0 HG2 LYS A 43 -2.141 -5.999 -14.104 1.00 4.43 H new ATOM 0 HG3 LYS A 43 -3.098 -7.382 -13.613 1.00 4.43 H new ATOM 0 HD2 LYS A 43 -5.038 -6.144 -13.372 1.00 20.43 H new ATOM 0 HD3 LYS A 43 -4.191 -4.714 -12.818 1.00 20.43 H new ATOM 0 HE2 LYS A 43 -5.195 -4.299 -15.011 1.00 23.30 H new ATOM 0 HE3 LYS A 43 -3.448 -4.228 -15.125 1.00 23.30 H new ATOM 0 HZ1 LYS A 43 -4.994 -5.643 -16.762 1.00 34.01 H new ATOM 0 HZ2 LYS A 43 -3.369 -6.017 -16.446 1.00 34.01 H new ATOM 0 HZ3 LYS A 43 -4.605 -6.841 -15.624 1.00 34.01 H new ATOM 695 N LEU A 44 0.159 -5.259 -10.454 1.00 32.32 N ATOM 696 CA LEU A 44 0.716 -4.596 -9.272 1.00 53.12 C ATOM 697 C LEU A 44 0.591 -3.068 -9.399 1.00 70.31 C ATOM 698 O LEU A 44 0.645 -2.521 -10.499 1.00 63.50 O ATOM 699 CB LEU A 44 2.185 -5.026 -9.060 1.00 52.23 C ATOM 700 CG LEU A 44 3.153 -4.809 -10.253 1.00 72.55 C ATOM 701 CD1 LEU A 44 3.643 -3.363 -10.334 1.00 53.34 C ATOM 702 CD2 LEU A 44 4.341 -5.767 -10.170 1.00 31.32 C ATOM 0 H LEU A 44 0.251 -4.718 -11.314 1.00 32.32 H new ATOM 0 HA LEU A 44 0.146 -4.902 -8.395 1.00 53.12 H new ATOM 0 HB2 LEU A 44 2.578 -4.484 -8.200 1.00 52.23 H new ATOM 0 HB3 LEU A 44 2.196 -6.085 -8.801 1.00 52.23 H new ATOM 0 HG LEU A 44 2.593 -5.021 -11.164 1.00 72.55 H new ATOM 0 HD11 LEU A 44 4.318 -3.255 -11.183 1.00 53.34 H new ATOM 0 HD12 LEU A 44 2.790 -2.696 -10.461 1.00 53.34 H new ATOM 0 HD13 LEU A 44 4.171 -3.106 -9.416 1.00 53.34 H new ATOM 0 HD21 LEU A 44 5.006 -5.596 -11.017 1.00 31.32 H new ATOM 0 HD22 LEU A 44 4.884 -5.593 -9.241 1.00 31.32 H new ATOM 0 HD23 LEU A 44 3.981 -6.796 -10.193 1.00 31.32 H new ATOM 714 N ALA A 45 0.407 -2.385 -8.278 1.00 2.33 N ATOM 715 CA ALA A 45 0.269 -0.923 -8.279 1.00 72.53 C ATOM 716 C ALA A 45 1.058 -0.285 -7.130 1.00 12.35 C ATOM 717 O ALA A 45 1.196 -0.873 -6.060 1.00 1.20 O ATOM 718 CB ALA A 45 -1.202 -0.533 -8.192 1.00 65.35 C ATOM 0 H ALA A 45 0.349 -2.813 -7.354 1.00 2.33 H new ATOM 0 HA ALA A 45 0.682 -0.548 -9.215 1.00 72.53 H new ATOM 0 HB1 ALA A 45 -1.291 0.553 -8.194 1.00 65.35 H new ATOM 0 HB2 ALA A 45 -1.738 -0.942 -9.048 1.00 65.35 H new ATOM 0 HB3 ALA A 45 -1.630 -0.931 -7.272 1.00 65.35 H new ATOM 724 N ASN A 46 1.571 0.922 -7.355 1.00 14.05 N ATOM 725 CA ASN A 46 2.343 1.632 -6.331 1.00 21.42 C ATOM 726 C ASN A 46 1.633 2.917 -5.879 1.00 41.43 C ATOM 727 O ASN A 46 1.502 3.880 -6.639 1.00 45.22 O ATOM 728 CB ASN A 46 3.751 1.960 -6.847 1.00 22.21 C ATOM 729 CG ASN A 46 4.582 0.712 -7.090 1.00 0.01 C ATOM 730 OD1 ASN A 46 5.237 0.206 -6.186 1.00 55.30 O ATOM 731 ND2 ASN A 46 4.580 0.215 -8.311 1.00 33.14 N ATOM 0 H ASN A 46 1.468 1.430 -8.233 1.00 14.05 H new ATOM 0 HA ASN A 46 2.427 0.972 -5.467 1.00 21.42 H new ATOM 0 HB2 ASN A 46 3.672 2.528 -7.774 1.00 22.21 H new ATOM 0 HB3 ASN A 46 4.261 2.598 -6.125 1.00 22.21 H new ATOM 0 HD21 ASN A 46 5.134 -0.614 -8.525 1.00 33.14 H new ATOM 0 HD22 ASN A 46 4.024 0.659 -9.042 1.00 33.14 H new ATOM 738 N VAL A 47 1.167 2.918 -4.635 1.00 41.15 N ATOM 739 CA VAL A 47 0.540 4.097 -4.034 1.00 74.42 C ATOM 740 C VAL A 47 1.514 4.794 -3.073 1.00 30.51 C ATOM 741 O VAL A 47 2.024 4.181 -2.134 1.00 34.13 O ATOM 742 CB VAL A 47 -0.757 3.717 -3.273 1.00 43.44 C ATOM 743 CG1 VAL A 47 -1.386 4.945 -2.608 1.00 42.44 C ATOM 744 CG2 VAL A 47 -1.752 3.038 -4.217 1.00 1.13 C ATOM 0 H VAL A 47 1.211 2.109 -4.015 1.00 41.15 H new ATOM 0 HA VAL A 47 0.281 4.780 -4.843 1.00 74.42 H new ATOM 0 HB VAL A 47 -0.494 3.011 -2.485 1.00 43.44 H new ATOM 0 HG11 VAL A 47 -2.294 4.649 -2.082 1.00 42.44 H new ATOM 0 HG12 VAL A 47 -0.680 5.376 -1.899 1.00 42.44 H new ATOM 0 HG13 VAL A 47 -1.633 5.685 -3.370 1.00 42.44 H new ATOM 0 HG21 VAL A 47 -2.656 2.778 -3.667 1.00 1.13 H new ATOM 0 HG22 VAL A 47 -2.005 3.719 -5.030 1.00 1.13 H new ATOM 0 HG23 VAL A 47 -1.304 2.133 -4.628 1.00 1.13 H new ATOM 754 N ILE A 48 1.768 6.075 -3.310 1.00 74.44 N ATOM 755 CA ILE A 48 2.716 6.835 -2.496 1.00 55.33 C ATOM 756 C ILE A 48 2.002 7.548 -1.339 1.00 64.14 C ATOM 757 O ILE A 48 1.294 8.541 -1.538 1.00 5.24 O ATOM 758 CB ILE A 48 3.480 7.880 -3.349 1.00 75.01 C ATOM 759 CG1 ILE A 48 4.157 7.206 -4.558 1.00 74.45 C ATOM 760 CG2 ILE A 48 4.509 8.623 -2.498 1.00 42.34 C ATOM 761 CD1 ILE A 48 5.155 6.124 -4.187 1.00 15.13 C ATOM 0 H ILE A 48 1.332 6.612 -4.059 1.00 74.44 H new ATOM 0 HA ILE A 48 3.432 6.121 -2.089 1.00 55.33 H new ATOM 0 HB ILE A 48 2.759 8.607 -3.724 1.00 75.01 H new ATOM 0 HG12 ILE A 48 3.387 6.772 -5.196 1.00 74.45 H new ATOM 0 HG13 ILE A 48 4.667 7.969 -5.147 1.00 74.45 H new ATOM 0 HG21 ILE A 48 5.034 9.352 -3.116 1.00 42.34 H new ATOM 0 HG22 ILE A 48 4.002 9.137 -1.681 1.00 42.34 H new ATOM 0 HG23 ILE A 48 5.225 7.911 -2.089 1.00 42.34 H new ATOM 0 HD11 ILE A 48 5.586 5.700 -5.094 1.00 15.13 H new ATOM 0 HD12 ILE A 48 5.948 6.555 -3.575 1.00 15.13 H new ATOM 0 HD13 ILE A 48 4.649 5.339 -3.625 1.00 15.13 H new ATOM 773 N ILE A 49 2.192 7.029 -0.130 1.00 25.54 N ATOM 774 CA ILE A 49 1.592 7.615 1.071 1.00 15.01 C ATOM 775 C ILE A 49 2.652 8.349 1.900 1.00 13.21 C ATOM 776 O ILE A 49 3.829 7.983 1.895 1.00 53.05 O ATOM 777 CB ILE A 49 0.902 6.537 1.950 1.00 32.01 C ATOM 778 CG1 ILE A 49 1.910 5.455 2.381 1.00 23.31 C ATOM 779 CG2 ILE A 49 -0.278 5.913 1.202 1.00 21.41 C ATOM 780 CD1 ILE A 49 1.323 4.383 3.281 1.00 32.22 C ATOM 0 H ILE A 49 2.759 6.200 0.048 1.00 25.54 H new ATOM 0 HA ILE A 49 0.834 8.325 0.740 1.00 15.01 H new ATOM 0 HB ILE A 49 0.522 7.020 2.850 1.00 32.01 H new ATOM 0 HG12 ILE A 49 2.321 4.981 1.490 1.00 23.31 H new ATOM 0 HG13 ILE A 49 2.741 5.934 2.899 1.00 23.31 H new ATOM 0 HG21 ILE A 49 -0.751 5.159 1.832 1.00 21.41 H new ATOM 0 HG22 ILE A 49 -1.004 6.688 0.956 1.00 21.41 H new ATOM 0 HG23 ILE A 49 0.079 5.446 0.284 1.00 21.41 H new ATOM 0 HD11 ILE A 49 2.097 3.660 3.539 1.00 32.22 H new ATOM 0 HD12 ILE A 49 0.938 4.843 4.191 1.00 32.22 H new ATOM 0 HD13 ILE A 49 0.511 3.875 2.760 1.00 32.22 H new ATOM 792 N ALA A 50 2.236 9.394 2.603 1.00 11.50 N ATOM 793 CA ALA A 50 3.160 10.205 3.398 1.00 14.53 C ATOM 794 C ALA A 50 2.606 10.484 4.799 1.00 15.13 C ATOM 795 O ALA A 50 1.395 10.623 4.992 1.00 72.01 O ATOM 796 CB ALA A 50 3.467 11.516 2.677 1.00 35.24 C ATOM 0 H ALA A 50 1.265 9.703 2.641 1.00 11.50 H new ATOM 0 HA ALA A 50 4.083 9.638 3.515 1.00 14.53 H new ATOM 0 HB1 ALA A 50 4.155 12.110 3.279 1.00 35.24 H new ATOM 0 HB2 ALA A 50 3.923 11.302 1.710 1.00 35.24 H new ATOM 0 HB3 ALA A 50 2.543 12.074 2.527 1.00 35.24 H new ATOM 802 N ASP A 51 3.506 10.552 5.770 1.00 40.33 N ATOM 803 CA ASP A 51 3.148 10.879 7.146 1.00 34.03 C ATOM 804 C ASP A 51 4.229 11.769 7.780 1.00 44.33 C ATOM 805 O ASP A 51 5.338 11.897 7.250 1.00 64.50 O ATOM 806 CB ASP A 51 2.968 9.589 7.958 1.00 34.12 C ATOM 807 CG ASP A 51 2.593 9.862 9.405 1.00 13.33 C ATOM 808 OD1 ASP A 51 1.456 10.314 9.656 1.00 0.31 O ATOM 809 OD2 ASP A 51 3.446 9.660 10.294 1.00 72.43 O ATOM 0 H ASP A 51 4.502 10.383 5.629 1.00 40.33 H new ATOM 0 HA ASP A 51 2.207 11.429 7.148 1.00 34.03 H new ATOM 0 HB2 ASP A 51 2.195 8.976 7.495 1.00 34.12 H new ATOM 0 HB3 ASP A 51 3.892 9.012 7.928 1.00 34.12 H new ATOM 814 N ASP A 52 3.913 12.371 8.921 1.00 61.54 N ATOM 815 CA ASP A 52 4.859 13.233 9.636 1.00 73.12 C ATOM 816 C ASP A 52 6.100 12.452 10.117 1.00 3.20 C ATOM 817 O ASP A 52 7.071 13.044 10.597 1.00 74.41 O ATOM 818 CB ASP A 52 4.156 13.900 10.819 1.00 33.21 C ATOM 819 CG ASP A 52 2.941 14.696 10.378 1.00 71.32 C ATOM 820 OD1 ASP A 52 3.115 15.756 9.746 1.00 54.43 O ATOM 821 OD2 ASP A 52 1.801 14.258 10.647 1.00 50.22 O ATOM 0 H ASP A 52 3.005 12.280 9.376 1.00 61.54 H new ATOM 0 HA ASP A 52 5.208 13.997 8.942 1.00 73.12 H new ATOM 0 HB2 ASP A 52 3.851 13.138 11.537 1.00 33.21 H new ATOM 0 HB3 ASP A 52 4.856 14.559 11.333 1.00 33.21 H new ATOM 826 N THR A 53 6.064 11.123 9.989 1.00 13.44 N ATOM 827 CA THR A 53 7.200 10.271 10.377 1.00 23.20 C ATOM 828 C THR A 53 7.944 9.681 9.164 1.00 31.33 C ATOM 829 O THR A 53 8.855 8.864 9.329 1.00 22.30 O ATOM 830 CB THR A 53 6.744 9.101 11.285 1.00 32.01 C ATOM 831 OG1 THR A 53 5.887 8.206 10.557 1.00 74.51 O ATOM 832 CG2 THR A 53 6.016 9.616 12.525 1.00 60.14 C ATOM 0 H THR A 53 5.263 10.610 9.620 1.00 13.44 H new ATOM 0 HA THR A 53 7.882 10.925 10.921 1.00 23.20 H new ATOM 0 HB THR A 53 7.636 8.563 11.606 1.00 32.01 H new ATOM 0 HG1 THR A 53 5.013 8.628 10.420 1.00 74.51 H new ATOM 0 HG21 THR A 53 5.708 8.772 13.143 1.00 60.14 H new ATOM 0 HG22 THR A 53 6.683 10.260 13.097 1.00 60.14 H new ATOM 0 HG23 THR A 53 5.136 10.183 12.221 1.00 60.14 H new ATOM 840 N GLY A 54 7.572 10.090 7.946 1.00 51.31 N ATOM 841 CA GLY A 54 8.233 9.562 6.747 1.00 72.41 C ATOM 842 C GLY A 54 7.271 9.246 5.602 1.00 11.23 C ATOM 843 O GLY A 54 6.053 9.285 5.772 1.00 63.10 O ATOM 0 H GLY A 54 6.833 10.770 7.765 1.00 51.31 H new ATOM 0 HA2 GLY A 54 8.970 10.287 6.401 1.00 72.41 H new ATOM 0 HA3 GLY A 54 8.777 8.656 7.013 1.00 72.41 H new ATOM 847 N GLU A 55 7.826 8.974 4.419 1.00 74.41 N ATOM 848 CA GLU A 55 7.030 8.551 3.251 1.00 72.50 C ATOM 849 C GLU A 55 7.167 7.033 3.015 1.00 23.50 C ATOM 850 O GLU A 55 8.166 6.426 3.402 1.00 75.11 O ATOM 851 CB GLU A 55 7.491 9.304 1.993 1.00 13.31 C ATOM 852 CG GLU A 55 7.372 10.823 2.089 1.00 11.51 C ATOM 853 CD GLU A 55 7.860 11.524 0.830 1.00 74.44 C ATOM 854 OE1 GLU A 55 7.082 11.629 -0.140 1.00 43.43 O ATOM 855 OE2 GLU A 55 9.032 11.951 0.787 1.00 11.43 O ATOM 0 H GLU A 55 8.828 9.038 4.238 1.00 74.41 H new ATOM 0 HA GLU A 55 5.985 8.785 3.454 1.00 72.50 H new ATOM 0 HB2 GLU A 55 8.530 9.045 1.790 1.00 13.31 H new ATOM 0 HB3 GLU A 55 6.904 8.959 1.142 1.00 13.31 H new ATOM 0 HG2 GLU A 55 6.332 11.092 2.271 1.00 11.51 H new ATOM 0 HG3 GLU A 55 7.948 11.176 2.945 1.00 11.51 H new ATOM 862 N LEU A 56 6.170 6.423 2.369 1.00 61.14 N ATOM 863 CA LEU A 56 6.188 4.973 2.117 1.00 23.12 C ATOM 864 C LEU A 56 5.542 4.616 0.765 1.00 22.15 C ATOM 865 O LEU A 56 4.578 5.255 0.336 1.00 71.45 O ATOM 866 CB LEU A 56 5.452 4.238 3.249 1.00 72.33 C ATOM 867 CG LEU A 56 5.516 2.700 3.193 1.00 20.03 C ATOM 868 CD1 LEU A 56 6.945 2.210 3.418 1.00 0.24 C ATOM 869 CD2 LEU A 56 4.566 2.080 4.214 1.00 30.13 C ATOM 0 H LEU A 56 5.344 6.903 2.012 1.00 61.14 H new ATOM 0 HA LEU A 56 7.231 4.658 2.083 1.00 23.12 H new ATOM 0 HB2 LEU A 56 5.867 4.567 4.202 1.00 72.33 H new ATOM 0 HB3 LEU A 56 4.405 4.541 3.235 1.00 72.33 H new ATOM 0 HG LEU A 56 5.199 2.384 2.199 1.00 20.03 H new ATOM 0 HD11 LEU A 56 6.967 1.121 3.374 1.00 0.24 H new ATOM 0 HD12 LEU A 56 7.595 2.618 2.644 1.00 0.24 H new ATOM 0 HD13 LEU A 56 7.293 2.541 4.396 1.00 0.24 H new ATOM 0 HD21 LEU A 56 4.628 0.993 4.156 1.00 30.13 H new ATOM 0 HD22 LEU A 56 4.845 2.407 5.216 1.00 30.13 H new ATOM 0 HD23 LEU A 56 3.545 2.397 4.000 1.00 30.13 H new ATOM 881 N ARG A 57 6.083 3.598 0.090 1.00 3.11 N ATOM 882 CA ARG A 57 5.504 3.099 -1.163 1.00 44.01 C ATOM 883 C ARG A 57 4.639 1.847 -0.913 1.00 12.13 C ATOM 884 O ARG A 57 5.160 0.759 -0.665 1.00 32.11 O ATOM 885 CB ARG A 57 6.616 2.767 -2.169 1.00 11.14 C ATOM 886 CG ARG A 57 6.106 2.455 -3.572 1.00 35.12 C ATOM 887 CD ARG A 57 7.236 2.044 -4.514 1.00 30.35 C ATOM 888 NE ARG A 57 7.793 0.732 -4.174 1.00 64.11 N ATOM 889 CZ ARG A 57 9.031 0.377 -4.399 1.00 22.42 C ATOM 890 NH1 ARG A 57 9.885 1.220 -4.879 1.00 21.01 N ATOM 891 NH2 ARG A 57 9.423 -0.822 -4.130 1.00 75.12 N ATOM 0 H ARG A 57 6.922 3.102 0.390 1.00 3.11 H new ATOM 0 HA ARG A 57 4.868 3.883 -1.574 1.00 44.01 H new ATOM 0 HB2 ARG A 57 7.307 3.608 -2.223 1.00 11.14 H new ATOM 0 HB3 ARG A 57 7.183 1.912 -1.800 1.00 11.14 H new ATOM 0 HG2 ARG A 57 5.368 1.654 -3.520 1.00 35.12 H new ATOM 0 HG3 ARG A 57 5.598 3.331 -3.976 1.00 35.12 H new ATOM 0 HD2 ARG A 57 6.863 2.024 -5.538 1.00 30.35 H new ATOM 0 HD3 ARG A 57 8.027 2.793 -4.477 1.00 30.35 H new ATOM 0 HE ARG A 57 7.175 0.051 -3.733 1.00 64.11 H new ATOM 0 HH11 ARG A 57 9.596 2.176 -5.087 1.00 21.01 H new ATOM 0 HH12 ARG A 57 10.848 0.929 -5.050 1.00 21.01 H new ATOM 0 HH21 ARG A 57 8.766 -1.498 -3.740 1.00 75.12 H new ATOM 0 HH22 ARG A 57 10.390 -1.094 -4.307 1.00 75.12 H new ATOM 905 N ALA A 58 3.321 2.007 -0.974 1.00 42.12 N ATOM 906 CA ALA A 58 2.390 0.888 -0.766 1.00 33.20 C ATOM 907 C ALA A 58 2.177 0.084 -2.062 1.00 2.02 C ATOM 908 O ALA A 58 1.698 0.618 -3.063 1.00 14.25 O ATOM 909 CB ALA A 58 1.057 1.412 -0.237 1.00 54.44 C ATOM 0 H ALA A 58 2.867 2.900 -1.166 1.00 42.12 H new ATOM 0 HA ALA A 58 2.828 0.214 -0.029 1.00 33.20 H new ATOM 0 HB1 ALA A 58 0.372 0.577 -0.085 1.00 54.44 H new ATOM 0 HB2 ALA A 58 1.218 1.926 0.711 1.00 54.44 H new ATOM 0 HB3 ALA A 58 0.627 2.107 -0.958 1.00 54.44 H new ATOM 915 N VAL A 59 2.531 -1.198 -2.037 1.00 24.13 N ATOM 916 CA VAL A 59 2.425 -2.061 -3.221 1.00 21.35 C ATOM 917 C VAL A 59 1.112 -2.864 -3.226 1.00 71.01 C ATOM 918 O VAL A 59 0.955 -3.837 -2.480 1.00 11.11 O ATOM 919 CB VAL A 59 3.623 -3.041 -3.311 1.00 72.33 C ATOM 920 CG1 VAL A 59 3.538 -3.900 -4.573 1.00 61.31 C ATOM 921 CG2 VAL A 59 4.945 -2.278 -3.257 1.00 35.55 C ATOM 0 H VAL A 59 2.896 -1.668 -1.209 1.00 24.13 H new ATOM 0 HA VAL A 59 2.435 -1.401 -4.089 1.00 21.35 H new ATOM 0 HB VAL A 59 3.579 -3.710 -2.452 1.00 72.33 H new ATOM 0 HG11 VAL A 59 4.391 -4.578 -4.610 1.00 61.31 H new ATOM 0 HG12 VAL A 59 2.615 -4.479 -4.557 1.00 61.31 H new ATOM 0 HG13 VAL A 59 3.548 -3.256 -5.453 1.00 61.31 H new ATOM 0 HG21 VAL A 59 5.774 -2.982 -3.321 1.00 35.55 H new ATOM 0 HG22 VAL A 59 4.996 -1.579 -4.092 1.00 35.55 H new ATOM 0 HG23 VAL A 59 5.009 -1.727 -2.319 1.00 35.55 H new ATOM 931 N PHE A 60 0.170 -2.447 -4.070 1.00 61.33 N ATOM 932 CA PHE A 60 -1.119 -3.135 -4.213 1.00 34.55 C ATOM 933 C PHE A 60 -1.077 -4.174 -5.342 1.00 73.45 C ATOM 934 O PHE A 60 -1.091 -3.828 -6.522 1.00 1.33 O ATOM 935 CB PHE A 60 -2.241 -2.119 -4.489 1.00 41.33 C ATOM 936 CG PHE A 60 -2.637 -1.293 -3.289 1.00 55.02 C ATOM 937 CD1 PHE A 60 -1.773 -0.343 -2.760 1.00 31.42 C ATOM 938 CD2 PHE A 60 -3.879 -1.469 -2.690 1.00 54.15 C ATOM 939 CE1 PHE A 60 -2.141 0.414 -1.664 1.00 3.23 C ATOM 940 CE2 PHE A 60 -4.249 -0.713 -1.594 1.00 2.43 C ATOM 941 CZ PHE A 60 -3.379 0.227 -1.079 1.00 40.44 C ATOM 0 H PHE A 60 0.274 -1.630 -4.671 1.00 61.33 H new ATOM 0 HA PHE A 60 -1.321 -3.653 -3.276 1.00 34.55 H new ATOM 0 HB2 PHE A 60 -1.921 -1.449 -5.287 1.00 41.33 H new ATOM 0 HB3 PHE A 60 -3.118 -2.653 -4.854 1.00 41.33 H new ATOM 0 HD1 PHE A 60 -0.803 -0.194 -3.210 1.00 31.42 H new ATOM 0 HD2 PHE A 60 -4.563 -2.205 -3.086 1.00 54.15 H new ATOM 0 HE1 PHE A 60 -1.461 1.152 -1.265 1.00 3.23 H new ATOM 0 HE2 PHE A 60 -5.218 -0.858 -1.141 1.00 2.43 H new ATOM 0 HZ PHE A 60 -3.666 0.816 -0.220 1.00 40.44 H new ATOM 951 N TRP A 61 -1.018 -5.448 -4.972 1.00 71.31 N ATOM 952 CA TRP A 61 -1.054 -6.542 -5.948 1.00 14.13 C ATOM 953 C TRP A 61 -2.462 -6.717 -6.537 1.00 1.04 C ATOM 954 O TRP A 61 -3.445 -6.254 -5.961 1.00 61.41 O ATOM 955 CB TRP A 61 -0.565 -7.844 -5.304 1.00 61.10 C ATOM 956 CG TRP A 61 0.886 -7.788 -4.922 1.00 33.25 C ATOM 957 CD1 TRP A 61 1.408 -7.503 -3.690 1.00 42.45 C ATOM 958 CD2 TRP A 61 2.006 -8.005 -5.790 1.00 34.00 C ATOM 959 NE1 TRP A 61 2.781 -7.537 -3.744 1.00 52.35 N ATOM 960 CE2 TRP A 61 3.170 -7.844 -5.019 1.00 53.23 C ATOM 961 CE3 TRP A 61 2.133 -8.327 -7.144 1.00 12.53 C ATOM 962 CZ2 TRP A 61 4.446 -7.989 -5.558 1.00 35.04 C ATOM 963 CZ3 TRP A 61 3.401 -8.469 -7.677 1.00 32.33 C ATOM 964 CH2 TRP A 61 4.542 -8.301 -6.886 1.00 45.34 C ATOM 0 H TRP A 61 -0.945 -5.754 -4.002 1.00 71.31 H new ATOM 0 HA TRP A 61 -0.384 -6.288 -6.769 1.00 14.13 H new ATOM 0 HB2 TRP A 61 -1.163 -8.054 -4.417 1.00 61.10 H new ATOM 0 HB3 TRP A 61 -0.723 -8.670 -5.997 1.00 61.10 H new ATOM 0 HD1 TRP A 61 0.827 -7.284 -2.806 1.00 42.45 H new ATOM 0 HE1 TRP A 61 3.409 -7.362 -2.960 1.00 52.35 H new ATOM 0 HE3 TRP A 61 1.258 -8.462 -7.762 1.00 12.53 H new ATOM 0 HZ2 TRP A 61 5.328 -7.860 -4.949 1.00 35.04 H new ATOM 0 HZ3 TRP A 61 3.512 -8.714 -8.723 1.00 32.33 H new ATOM 0 HH2 TRP A 61 5.518 -8.420 -7.333 1.00 45.34 H new ATOM 975 N THR A 62 -2.547 -7.371 -7.700 1.00 25.11 N ATOM 976 CA THR A 62 -3.822 -7.529 -8.431 1.00 72.23 C ATOM 977 C THR A 62 -5.002 -7.929 -7.531 1.00 61.43 C ATOM 978 O THR A 62 -6.129 -7.480 -7.745 1.00 74.13 O ATOM 979 CB THR A 62 -3.704 -8.549 -9.586 1.00 60.55 C ATOM 980 OG1 THR A 62 -4.977 -8.719 -10.229 1.00 52.13 O ATOM 981 CG2 THR A 62 -3.178 -9.896 -9.097 1.00 14.11 C ATOM 0 H THR A 62 -1.747 -7.804 -8.162 1.00 25.11 H new ATOM 0 HA THR A 62 -4.030 -6.539 -8.836 1.00 72.23 H new ATOM 0 HB THR A 62 -2.987 -8.154 -10.305 1.00 60.55 H new ATOM 0 HG1 THR A 62 -4.890 -9.366 -10.960 1.00 52.13 H new ATOM 0 HG21 THR A 62 -3.109 -10.587 -9.938 1.00 14.11 H new ATOM 0 HG22 THR A 62 -2.191 -9.762 -8.655 1.00 14.11 H new ATOM 0 HG23 THR A 62 -3.858 -10.302 -8.349 1.00 14.11 H new ATOM 989 N GLU A 63 -4.746 -8.757 -6.522 1.00 43.43 N ATOM 990 CA GLU A 63 -5.795 -9.150 -5.576 1.00 34.12 C ATOM 991 C GLU A 63 -6.317 -7.925 -4.797 1.00 13.45 C ATOM 992 O GLU A 63 -7.520 -7.762 -4.597 1.00 65.04 O ATOM 993 CB GLU A 63 -5.264 -10.203 -4.587 1.00 33.11 C ATOM 994 CG GLU A 63 -4.546 -11.388 -5.238 1.00 20.12 C ATOM 995 CD GLU A 63 -5.334 -12.030 -6.372 1.00 52.54 C ATOM 996 OE1 GLU A 63 -6.433 -12.565 -6.120 1.00 15.51 O ATOM 997 OE2 GLU A 63 -4.853 -12.004 -7.525 1.00 61.43 O ATOM 0 H GLU A 63 -3.831 -9.168 -6.336 1.00 43.43 H new ATOM 0 HA GLU A 63 -6.617 -9.580 -6.148 1.00 34.12 H new ATOM 0 HB2 GLU A 63 -4.578 -9.717 -3.893 1.00 33.11 H new ATOM 0 HB3 GLU A 63 -6.099 -10.581 -3.997 1.00 33.11 H new ATOM 0 HG2 GLU A 63 -3.582 -11.052 -5.621 1.00 20.12 H new ATOM 0 HG3 GLU A 63 -4.342 -12.141 -4.477 1.00 20.12 H new ATOM 1004 N ASN A 64 -5.395 -7.054 -4.388 1.00 23.51 N ATOM 1005 CA ASN A 64 -5.725 -5.873 -3.580 1.00 52.41 C ATOM 1006 C ASN A 64 -6.093 -4.642 -4.433 1.00 54.32 C ATOM 1007 O ASN A 64 -6.451 -3.597 -3.890 1.00 40.03 O ATOM 1008 CB ASN A 64 -4.548 -5.529 -2.661 1.00 31.04 C ATOM 1009 CG ASN A 64 -4.192 -6.678 -1.738 1.00 11.44 C ATOM 1010 OD1 ASN A 64 -3.360 -7.518 -2.065 1.00 23.21 O ATOM 1011 ND2 ASN A 64 -4.818 -6.727 -0.578 1.00 34.23 N ATOM 0 H ASN A 64 -4.402 -7.143 -4.604 1.00 23.51 H new ATOM 0 HA ASN A 64 -6.606 -6.128 -2.992 1.00 52.41 H new ATOM 0 HB2 ASN A 64 -3.680 -5.268 -3.266 1.00 31.04 H new ATOM 0 HB3 ASN A 64 -4.797 -4.650 -2.066 1.00 31.04 H new ATOM 0 HD21 ASN A 64 -4.616 -7.480 0.079 1.00 34.23 H new ATOM 0 HD22 ASN A 64 -5.504 -6.012 -0.338 1.00 34.23 H new ATOM 1018 N ILE A 65 -6.016 -4.758 -5.761 1.00 11.34 N ATOM 1019 CA ILE A 65 -6.441 -3.663 -6.658 1.00 42.22 C ATOM 1020 C ILE A 65 -7.895 -3.243 -6.363 1.00 2.32 C ATOM 1021 O ILE A 65 -8.273 -2.079 -6.526 1.00 50.30 O ATOM 1022 CB ILE A 65 -6.305 -4.066 -8.154 1.00 61.45 C ATOM 1023 CG1 ILE A 65 -4.832 -4.318 -8.516 1.00 73.13 C ATOM 1024 CG2 ILE A 65 -6.902 -2.999 -9.075 1.00 41.12 C ATOM 1025 CD1 ILE A 65 -3.950 -3.090 -8.441 1.00 61.54 C ATOM 0 H ILE A 65 -5.668 -5.587 -6.242 1.00 11.34 H new ATOM 0 HA ILE A 65 -5.781 -2.817 -6.468 1.00 42.22 H new ATOM 0 HB ILE A 65 -6.865 -4.990 -8.299 1.00 61.45 H new ATOM 0 HG12 ILE A 65 -4.431 -5.079 -7.847 1.00 73.13 H new ATOM 0 HG13 ILE A 65 -4.783 -4.724 -9.526 1.00 73.13 H new ATOM 0 HG21 ILE A 65 -6.791 -3.311 -10.113 1.00 41.12 H new ATOM 0 HG22 ILE A 65 -7.960 -2.871 -8.846 1.00 41.12 H new ATOM 0 HG23 ILE A 65 -6.381 -2.054 -8.922 1.00 41.12 H new ATOM 0 HD11 ILE A 65 -2.929 -3.358 -8.712 1.00 61.54 H new ATOM 0 HD12 ILE A 65 -4.321 -2.333 -9.131 1.00 61.54 H new ATOM 0 HD13 ILE A 65 -3.964 -2.694 -7.426 1.00 61.54 H new ATOM 1037 N LYS A 66 -8.686 -4.201 -5.888 1.00 34.32 N ATOM 1038 CA LYS A 66 -10.086 -3.965 -5.503 1.00 12.23 C ATOM 1039 C LYS A 66 -10.223 -2.866 -4.428 1.00 24.24 C ATOM 1040 O LYS A 66 -11.293 -2.287 -4.254 1.00 75.34 O ATOM 1041 CB LYS A 66 -10.690 -5.278 -4.980 1.00 73.42 C ATOM 1042 CG LYS A 66 -9.947 -5.849 -3.771 1.00 10.45 C ATOM 1043 CD LYS A 66 -10.499 -7.202 -3.313 1.00 41.22 C ATOM 1044 CE LYS A 66 -11.833 -7.083 -2.577 1.00 22.44 C ATOM 1045 NZ LYS A 66 -12.956 -6.688 -3.470 1.00 65.22 N ATOM 0 H LYS A 66 -8.380 -5.165 -5.757 1.00 34.32 H new ATOM 0 HA LYS A 66 -10.622 -3.620 -6.387 1.00 12.23 H new ATOM 0 HB2 LYS A 66 -11.732 -5.108 -4.710 1.00 73.42 H new ATOM 0 HB3 LYS A 66 -10.685 -6.016 -5.782 1.00 73.42 H new ATOM 0 HG2 LYS A 66 -8.891 -5.959 -4.019 1.00 10.45 H new ATOM 0 HG3 LYS A 66 -10.008 -5.140 -2.946 1.00 10.45 H new ATOM 0 HD2 LYS A 66 -10.625 -7.849 -4.181 1.00 41.22 H new ATOM 0 HD3 LYS A 66 -9.771 -7.683 -2.660 1.00 41.22 H new ATOM 0 HE2 LYS A 66 -12.069 -8.038 -2.107 1.00 22.44 H new ATOM 0 HE3 LYS A 66 -11.736 -6.349 -1.777 1.00 22.44 H new ATOM 0 HZ1 LYS A 66 -13.814 -7.212 -3.202 1.00 65.22 H new ATOM 0 HZ2 LYS A 66 -13.131 -5.667 -3.377 1.00 65.22 H new ATOM 0 HZ3 LYS A 66 -12.710 -6.909 -4.456 1.00 65.22 H new ATOM 1059 N LEU A 67 -9.136 -2.584 -3.716 1.00 3.44 N ATOM 1060 CA LEU A 67 -9.154 -1.611 -2.616 1.00 52.41 C ATOM 1061 C LEU A 67 -9.012 -0.164 -3.121 1.00 72.21 C ATOM 1062 O LEU A 67 -9.411 0.782 -2.438 1.00 14.23 O ATOM 1063 CB LEU A 67 -8.030 -1.933 -1.621 1.00 2.45 C ATOM 1064 CG LEU A 67 -8.081 -3.346 -1.008 1.00 63.03 C ATOM 1065 CD1 LEU A 67 -6.867 -3.592 -0.116 1.00 73.54 C ATOM 1066 CD2 LEU A 67 -9.378 -3.551 -0.226 1.00 31.13 C ATOM 0 H LEU A 67 -8.226 -3.015 -3.878 1.00 3.44 H new ATOM 0 HA LEU A 67 -10.121 -1.690 -2.120 1.00 52.41 H new ATOM 0 HB2 LEU A 67 -7.072 -1.808 -2.126 1.00 2.45 H new ATOM 0 HB3 LEU A 67 -8.062 -1.202 -0.813 1.00 2.45 H new ATOM 0 HG LEU A 67 -8.057 -4.071 -1.822 1.00 63.03 H new ATOM 0 HD11 LEU A 67 -6.923 -4.595 0.306 1.00 73.54 H new ATOM 0 HD12 LEU A 67 -5.956 -3.498 -0.707 1.00 73.54 H new ATOM 0 HD13 LEU A 67 -6.854 -2.859 0.691 1.00 73.54 H new ATOM 0 HD21 LEU A 67 -9.392 -4.555 0.198 1.00 31.13 H new ATOM 0 HD22 LEU A 67 -9.438 -2.817 0.578 1.00 31.13 H new ATOM 0 HD23 LEU A 67 -10.230 -3.427 -0.895 1.00 31.13 H new ATOM 1078 N LEU A 68 -8.462 0.004 -4.324 1.00 0.54 N ATOM 1079 CA LEU A 68 -8.214 1.340 -4.894 1.00 24.50 C ATOM 1080 C LEU A 68 -9.518 2.128 -5.132 1.00 3.52 C ATOM 1081 O LEU A 68 -9.500 3.351 -5.286 1.00 52.25 O ATOM 1082 CB LEU A 68 -7.437 1.211 -6.213 1.00 60.35 C ATOM 1083 CG LEU A 68 -6.065 0.516 -6.109 1.00 31.10 C ATOM 1084 CD1 LEU A 68 -5.410 0.399 -7.486 1.00 64.42 C ATOM 1085 CD2 LEU A 68 -5.150 1.259 -5.134 1.00 43.24 C ATOM 0 H LEU A 68 -8.177 -0.767 -4.928 1.00 0.54 H new ATOM 0 HA LEU A 68 -7.624 1.897 -4.167 1.00 24.50 H new ATOM 0 HB2 LEU A 68 -8.052 0.659 -6.924 1.00 60.35 H new ATOM 0 HB3 LEU A 68 -7.289 2.209 -6.627 1.00 60.35 H new ATOM 0 HG LEU A 68 -6.225 -0.491 -5.722 1.00 31.10 H new ATOM 0 HD11 LEU A 68 -4.443 -0.094 -7.388 1.00 64.42 H new ATOM 0 HD12 LEU A 68 -6.051 -0.186 -8.145 1.00 64.42 H new ATOM 0 HD13 LEU A 68 -5.268 1.394 -7.907 1.00 64.42 H new ATOM 0 HD21 LEU A 68 -4.188 0.750 -5.078 1.00 43.24 H new ATOM 0 HD22 LEU A 68 -5.000 2.281 -5.483 1.00 43.24 H new ATOM 0 HD23 LEU A 68 -5.609 1.277 -4.146 1.00 43.24 H new ATOM 1097 N LYS A 69 -10.646 1.418 -5.169 1.00 13.32 N ATOM 1098 CA LYS A 69 -11.957 2.045 -5.387 1.00 62.53 C ATOM 1099 C LYS A 69 -12.545 2.618 -4.082 1.00 43.42 C ATOM 1100 O LYS A 69 -13.511 3.383 -4.106 1.00 1.15 O ATOM 1101 CB LYS A 69 -12.930 1.015 -5.984 1.00 11.22 C ATOM 1102 CG LYS A 69 -13.301 -0.104 -5.011 1.00 54.00 C ATOM 1103 CD LYS A 69 -14.092 -1.241 -5.667 1.00 21.12 C ATOM 1104 CE LYS A 69 -15.487 -0.814 -6.125 1.00 53.14 C ATOM 1105 NZ LYS A 69 -15.454 0.020 -7.354 1.00 22.45 N ATOM 0 H LYS A 69 -10.682 0.405 -5.051 1.00 13.32 H new ATOM 0 HA LYS A 69 -11.817 2.874 -6.081 1.00 62.53 H new ATOM 0 HB2 LYS A 69 -13.839 1.526 -6.302 1.00 11.22 H new ATOM 0 HB3 LYS A 69 -12.482 0.577 -6.876 1.00 11.22 H new ATOM 0 HG2 LYS A 69 -12.390 -0.511 -4.572 1.00 54.00 H new ATOM 0 HG3 LYS A 69 -13.889 0.314 -4.194 1.00 54.00 H new ATOM 0 HD2 LYS A 69 -13.534 -1.617 -6.524 1.00 21.12 H new ATOM 0 HD3 LYS A 69 -14.185 -2.066 -4.961 1.00 21.12 H new ATOM 0 HE2 LYS A 69 -16.093 -1.701 -6.309 1.00 53.14 H new ATOM 0 HE3 LYS A 69 -15.973 -0.256 -5.325 1.00 53.14 H new ATOM 0 HZ1 LYS A 69 -15.635 1.013 -7.104 1.00 22.45 H new ATOM 0 HZ2 LYS A 69 -14.519 -0.060 -7.803 1.00 22.45 H new ATOM 0 HZ3 LYS A 69 -16.185 -0.309 -8.017 1.00 22.45 H new ATOM 1119 N LYS A 70 -11.961 2.239 -2.946 1.00 54.04 N ATOM 1120 CA LYS A 70 -12.492 2.626 -1.631 1.00 43.01 C ATOM 1121 C LYS A 70 -12.109 4.068 -1.253 1.00 53.13 C ATOM 1122 O LYS A 70 -12.976 4.909 -0.990 1.00 33.41 O ATOM 1123 CB LYS A 70 -11.987 1.643 -0.561 1.00 61.34 C ATOM 1124 CG LYS A 70 -12.365 0.188 -0.841 1.00 52.11 C ATOM 1125 CD LYS A 70 -11.829 -0.767 0.225 1.00 31.15 C ATOM 1126 CE LYS A 70 -12.433 -0.491 1.598 1.00 73.31 C ATOM 1127 NZ LYS A 70 -13.919 -0.554 1.574 1.00 32.32 N ATOM 0 H LYS A 70 -11.119 1.664 -2.905 1.00 54.04 H new ATOM 0 HA LYS A 70 -13.580 2.586 -1.685 1.00 43.01 H new ATOM 0 HB2 LYS A 70 -10.902 1.721 -0.491 1.00 61.34 H new ATOM 0 HB3 LYS A 70 -12.391 1.935 0.408 1.00 61.34 H new ATOM 0 HG2 LYS A 70 -13.450 0.100 -0.891 1.00 52.11 H new ATOM 0 HG3 LYS A 70 -11.976 -0.105 -1.816 1.00 52.11 H new ATOM 0 HD2 LYS A 70 -12.047 -1.794 -0.067 1.00 31.15 H new ATOM 0 HD3 LYS A 70 -10.744 -0.675 0.281 1.00 31.15 H new ATOM 0 HE2 LYS A 70 -12.051 -1.217 2.315 1.00 73.31 H new ATOM 0 HE3 LYS A 70 -12.117 0.494 1.942 1.00 73.31 H new ATOM 0 HZ1 LYS A 70 -14.282 -0.564 2.549 1.00 32.32 H new ATOM 0 HZ2 LYS A 70 -14.294 0.277 1.074 1.00 32.32 H new ATOM 0 HZ3 LYS A 70 -14.222 -1.419 1.083 1.00 32.32 H new ATOM 1141 N PHE A 71 -10.810 4.353 -1.234 1.00 42.04 N ATOM 1142 CA PHE A 71 -10.313 5.680 -0.851 1.00 52.44 C ATOM 1143 C PHE A 71 -9.936 6.516 -2.081 1.00 61.40 C ATOM 1144 O PHE A 71 -9.902 6.011 -3.204 1.00 54.45 O ATOM 1145 CB PHE A 71 -9.106 5.547 0.088 1.00 74.41 C ATOM 1146 CG PHE A 71 -7.944 4.776 -0.496 1.00 31.12 C ATOM 1147 CD1 PHE A 71 -7.870 3.396 -0.357 1.00 31.41 C ATOM 1148 CD2 PHE A 71 -6.918 5.429 -1.169 1.00 74.13 C ATOM 1149 CE1 PHE A 71 -6.802 2.686 -0.875 1.00 45.13 C ATOM 1150 CE2 PHE A 71 -5.849 4.723 -1.690 1.00 24.21 C ATOM 1151 CZ PHE A 71 -5.791 3.350 -1.541 1.00 61.23 C ATOM 0 H PHE A 71 -10.079 3.685 -1.479 1.00 42.04 H new ATOM 0 HA PHE A 71 -11.117 6.197 -0.328 1.00 52.44 H new ATOM 0 HB2 PHE A 71 -8.763 6.544 0.363 1.00 74.41 H new ATOM 0 HB3 PHE A 71 -9.428 5.056 1.006 1.00 74.41 H new ATOM 0 HD1 PHE A 71 -8.657 2.870 0.163 1.00 31.41 H new ATOM 0 HD2 PHE A 71 -6.956 6.502 -1.287 1.00 74.13 H new ATOM 0 HE1 PHE A 71 -6.759 1.613 -0.759 1.00 45.13 H new ATOM 0 HE2 PHE A 71 -5.060 5.244 -2.213 1.00 24.21 H new ATOM 0 HZ PHE A 71 -4.956 2.797 -1.945 1.00 61.23 H new ATOM 1161 N ARG A 72 -9.660 7.800 -1.864 1.00 52.14 N ATOM 1162 CA ARG A 72 -9.260 8.702 -2.948 1.00 34.54 C ATOM 1163 C ARG A 72 -7.906 9.364 -2.656 1.00 61.54 C ATOM 1164 O ARG A 72 -7.476 9.461 -1.503 1.00 35.45 O ATOM 1165 CB ARG A 72 -10.340 9.769 -3.167 1.00 15.11 C ATOM 1166 CG ARG A 72 -11.689 9.185 -3.573 1.00 65.52 C ATOM 1167 CD ARG A 72 -12.760 10.258 -3.729 1.00 2.31 C ATOM 1168 NE ARG A 72 -14.019 9.699 -4.218 1.00 25.44 N ATOM 1169 CZ ARG A 72 -15.123 10.378 -4.358 1.00 54.25 C ATOM 1170 NH1 ARG A 72 -15.180 11.631 -4.038 1.00 54.51 N ATOM 1171 NH2 ARG A 72 -16.183 9.795 -4.804 1.00 44.21 N ATOM 0 H ARG A 72 -9.705 8.242 -0.946 1.00 52.14 H new ATOM 0 HA ARG A 72 -9.150 8.111 -3.857 1.00 34.54 H new ATOM 0 HB2 ARG A 72 -10.462 10.346 -2.250 1.00 15.11 H new ATOM 0 HB3 ARG A 72 -10.005 10.463 -3.938 1.00 15.11 H new ATOM 0 HG2 ARG A 72 -11.580 8.644 -4.513 1.00 65.52 H new ATOM 0 HG3 ARG A 72 -12.009 8.461 -2.824 1.00 65.52 H new ATOM 0 HD2 ARG A 72 -12.927 10.747 -2.769 1.00 2.31 H new ATOM 0 HD3 ARG A 72 -12.409 11.024 -4.420 1.00 2.31 H new ATOM 0 HE ARG A 72 -14.035 8.710 -4.467 1.00 25.44 H new ATOM 0 HH11 ARG A 72 -14.353 12.102 -3.670 1.00 54.51 H new ATOM 0 HH12 ARG A 72 -16.052 12.148 -4.154 1.00 54.51 H new ATOM 0 HH21 ARG A 72 -16.157 8.805 -5.046 1.00 44.21 H new ATOM 0 HH22 ARG A 72 -17.048 10.324 -4.914 1.00 44.21 H new ATOM 1185 N GLU A 73 -7.236 9.811 -3.713 1.00 41.15 N ATOM 1186 CA GLU A 73 -5.929 10.458 -3.589 1.00 73.32 C ATOM 1187 C GLU A 73 -6.016 11.740 -2.734 1.00 43.34 C ATOM 1188 O GLU A 73 -6.400 12.807 -3.221 1.00 35.55 O ATOM 1189 CB GLU A 73 -5.386 10.765 -4.993 1.00 74.13 C ATOM 1190 CG GLU A 73 -3.927 11.197 -5.032 1.00 64.13 C ATOM 1191 CD GLU A 73 -3.422 11.374 -6.457 1.00 51.24 C ATOM 1192 OE1 GLU A 73 -3.616 12.460 -7.035 1.00 21.14 O ATOM 1193 OE2 GLU A 73 -2.861 10.409 -7.021 1.00 52.21 O ATOM 0 H GLU A 73 -7.577 9.738 -4.672 1.00 41.15 H new ATOM 0 HA GLU A 73 -5.244 9.782 -3.078 1.00 73.32 H new ATOM 0 HB2 GLU A 73 -5.505 9.878 -5.615 1.00 74.13 H new ATOM 0 HB3 GLU A 73 -5.995 11.551 -5.439 1.00 74.13 H new ATOM 0 HG2 GLU A 73 -3.812 12.134 -4.488 1.00 64.13 H new ATOM 0 HG3 GLU A 73 -3.315 10.454 -4.520 1.00 64.13 H new ATOM 1200 N GLY A 74 -5.698 11.609 -1.443 1.00 71.21 N ATOM 1201 CA GLY A 74 -5.748 12.746 -0.523 1.00 0.14 C ATOM 1202 C GLY A 74 -6.232 12.378 0.884 1.00 21.30 C ATOM 1203 O GLY A 74 -5.951 13.096 1.850 1.00 71.00 O ATOM 0 H GLY A 74 -5.405 10.731 -1.014 1.00 71.21 H new ATOM 0 HA2 GLY A 74 -4.754 13.189 -0.452 1.00 0.14 H new ATOM 0 HA3 GLY A 74 -6.408 13.509 -0.937 1.00 0.14 H new ATOM 1207 N ASP A 75 -6.954 11.258 1.007 1.00 33.13 N ATOM 1208 CA ASP A 75 -7.540 10.845 2.293 1.00 2.24 C ATOM 1209 C ASP A 75 -6.508 10.204 3.245 1.00 53.20 C ATOM 1210 O ASP A 75 -5.381 9.896 2.854 1.00 62.14 O ATOM 1211 CB ASP A 75 -8.693 9.860 2.056 1.00 71.14 C ATOM 1212 CG ASP A 75 -9.801 10.454 1.206 1.00 12.42 C ATOM 1213 OD1 ASP A 75 -10.382 11.484 1.607 1.00 65.22 O ATOM 1214 OD2 ASP A 75 -10.105 9.889 0.135 1.00 0.30 O ATOM 0 H ASP A 75 -7.148 10.621 0.235 1.00 33.13 H new ATOM 0 HA ASP A 75 -7.908 11.752 2.773 1.00 2.24 H new ATOM 0 HB2 ASP A 75 -8.307 8.964 1.569 1.00 71.14 H new ATOM 0 HB3 ASP A 75 -9.104 9.549 3.017 1.00 71.14 H new ATOM 1219 N VAL A 76 -6.916 10.014 4.503 1.00 31.24 N ATOM 1220 CA VAL A 76 -6.081 9.345 5.515 1.00 35.12 C ATOM 1221 C VAL A 76 -6.502 7.874 5.672 1.00 51.44 C ATOM 1222 O VAL A 76 -7.590 7.584 6.184 1.00 45.13 O ATOM 1223 CB VAL A 76 -6.197 10.041 6.898 1.00 2.33 C ATOM 1224 CG1 VAL A 76 -5.114 9.539 7.854 1.00 72.53 C ATOM 1225 CG2 VAL A 76 -6.148 11.563 6.755 1.00 61.32 C ATOM 0 H VAL A 76 -7.826 10.315 4.851 1.00 31.24 H new ATOM 0 HA VAL A 76 -5.049 9.406 5.170 1.00 35.12 H new ATOM 0 HB VAL A 76 -7.166 9.781 7.325 1.00 2.33 H new ATOM 0 HG11 VAL A 76 -5.216 10.041 8.816 1.00 72.53 H new ATOM 0 HG12 VAL A 76 -5.222 8.463 7.993 1.00 72.53 H new ATOM 0 HG13 VAL A 76 -4.131 9.754 7.435 1.00 72.53 H new ATOM 0 HG21 VAL A 76 -6.231 12.024 7.739 1.00 61.32 H new ATOM 0 HG22 VAL A 76 -5.203 11.855 6.296 1.00 61.32 H new ATOM 0 HG23 VAL A 76 -6.974 11.896 6.127 1.00 61.32 H new ATOM 1235 N ILE A 77 -5.646 6.948 5.244 1.00 4.43 N ATOM 1236 CA ILE A 77 -5.995 5.522 5.251 1.00 2.34 C ATOM 1237 C ILE A 77 -5.061 4.692 6.143 1.00 25.40 C ATOM 1238 O ILE A 77 -3.969 5.125 6.517 1.00 73.14 O ATOM 1239 CB ILE A 77 -5.969 4.916 3.822 1.00 12.14 C ATOM 1240 CG1 ILE A 77 -4.544 4.955 3.238 1.00 55.53 C ATOM 1241 CG2 ILE A 77 -6.954 5.650 2.912 1.00 3.12 C ATOM 1242 CD1 ILE A 77 -4.405 4.220 1.920 1.00 42.50 C ATOM 0 H ILE A 77 -4.712 7.153 4.890 1.00 4.43 H new ATOM 0 HA ILE A 77 -7.006 5.475 5.655 1.00 2.34 H new ATOM 0 HB ILE A 77 -6.277 3.872 3.885 1.00 12.14 H new ATOM 0 HG12 ILE A 77 -4.247 5.994 3.097 1.00 55.53 H new ATOM 0 HG13 ILE A 77 -3.853 4.521 3.960 1.00 55.53 H new ATOM 0 HG21 ILE A 77 -6.923 5.212 1.914 1.00 3.12 H new ATOM 0 HG22 ILE A 77 -7.962 5.558 3.317 1.00 3.12 H new ATOM 0 HG23 ILE A 77 -6.681 6.704 2.855 1.00 3.12 H new ATOM 0 HD11 ILE A 77 -3.375 4.291 1.571 1.00 42.50 H new ATOM 0 HD12 ILE A 77 -4.670 3.172 2.058 1.00 42.50 H new ATOM 0 HD13 ILE A 77 -5.070 4.668 1.182 1.00 42.50 H new ATOM 1254 N ARG A 78 -5.512 3.488 6.475 1.00 44.44 N ATOM 1255 CA ARG A 78 -4.692 2.512 7.186 1.00 74.43 C ATOM 1256 C ARG A 78 -4.701 1.172 6.444 1.00 51.31 C ATOM 1257 O ARG A 78 -5.761 0.589 6.209 1.00 63.42 O ATOM 1258 CB ARG A 78 -5.197 2.323 8.624 1.00 1.31 C ATOM 1259 CG ARG A 78 -4.436 1.252 9.401 1.00 64.32 C ATOM 1260 CD ARG A 78 -4.803 1.245 10.882 1.00 53.33 C ATOM 1261 NE ARG A 78 -6.207 0.913 11.117 1.00 73.24 N ATOM 1262 CZ ARG A 78 -6.828 1.127 12.246 1.00 64.11 C ATOM 1263 NH1 ARG A 78 -6.231 1.737 13.224 1.00 51.41 N ATOM 1264 NH2 ARG A 78 -8.057 0.760 12.383 1.00 53.43 N ATOM 0 H ARG A 78 -6.454 3.161 6.260 1.00 44.44 H new ATOM 0 HA ARG A 78 -3.670 2.887 7.226 1.00 74.43 H new ATOM 0 HB2 ARG A 78 -5.118 3.271 9.156 1.00 1.31 H new ATOM 0 HB3 ARG A 78 -6.254 2.059 8.598 1.00 1.31 H new ATOM 0 HG2 ARG A 78 -4.649 0.273 8.971 1.00 64.32 H new ATOM 0 HG3 ARG A 78 -3.364 1.421 9.295 1.00 64.32 H new ATOM 0 HD2 ARG A 78 -4.172 0.526 11.404 1.00 53.33 H new ATOM 0 HD3 ARG A 78 -4.590 2.225 11.309 1.00 53.33 H new ATOM 0 HE ARG A 78 -6.733 0.489 10.353 1.00 73.24 H new ATOM 0 HH11 ARG A 78 -5.268 2.054 13.115 1.00 51.41 H new ATOM 0 HH12 ARG A 78 -6.725 1.899 14.101 1.00 51.41 H new ATOM 0 HH21 ARG A 78 -8.542 0.304 11.610 1.00 53.43 H new ATOM 0 HH22 ARG A 78 -8.544 0.926 13.264 1.00 53.43 H new ATOM 1278 N ILE A 79 -3.522 0.702 6.060 1.00 20.41 N ATOM 1279 CA ILE A 79 -3.385 -0.585 5.383 1.00 24.13 C ATOM 1280 C ILE A 79 -3.013 -1.674 6.399 1.00 24.05 C ATOM 1281 O ILE A 79 -1.903 -1.686 6.942 1.00 51.01 O ATOM 1282 CB ILE A 79 -2.314 -0.523 4.268 1.00 21.53 C ATOM 1283 CG1 ILE A 79 -2.550 0.697 3.358 1.00 13.31 C ATOM 1284 CG2 ILE A 79 -2.336 -1.811 3.449 1.00 14.03 C ATOM 1285 CD1 ILE A 79 -1.517 0.861 2.260 1.00 71.12 C ATOM 0 H ILE A 79 -2.641 1.194 6.206 1.00 20.41 H new ATOM 0 HA ILE A 79 -4.343 -0.826 4.922 1.00 24.13 H new ATOM 0 HB ILE A 79 -1.333 -0.418 4.732 1.00 21.53 H new ATOM 0 HG12 ILE A 79 -3.537 0.612 2.903 1.00 13.31 H new ATOM 0 HG13 ILE A 79 -2.558 1.598 3.971 1.00 13.31 H new ATOM 0 HG21 ILE A 79 -1.579 -1.758 2.667 1.00 14.03 H new ATOM 0 HG22 ILE A 79 -2.126 -2.660 4.100 1.00 14.03 H new ATOM 0 HG23 ILE A 79 -3.319 -1.936 2.995 1.00 14.03 H new ATOM 0 HD11 ILE A 79 -1.755 1.742 1.665 1.00 71.12 H new ATOM 0 HD12 ILE A 79 -0.529 0.980 2.705 1.00 71.12 H new ATOM 0 HD13 ILE A 79 -1.523 -0.021 1.620 1.00 71.12 H new ATOM 1297 N LYS A 80 -3.947 -2.579 6.660 1.00 30.44 N ATOM 1298 CA LYS A 80 -3.776 -3.587 7.708 1.00 1.25 C ATOM 1299 C LYS A 80 -3.166 -4.885 7.148 1.00 3.23 C ATOM 1300 O LYS A 80 -3.597 -5.378 6.108 1.00 15.34 O ATOM 1301 CB LYS A 80 -5.136 -3.871 8.363 1.00 62.10 C ATOM 1302 CG LYS A 80 -5.076 -4.842 9.538 1.00 52.02 C ATOM 1303 CD LYS A 80 -6.464 -5.113 10.116 1.00 51.44 C ATOM 1304 CE LYS A 80 -6.418 -6.115 11.264 1.00 23.44 C ATOM 1305 NZ LYS A 80 -7.780 -6.420 11.781 1.00 4.12 N ATOM 0 H LYS A 80 -4.835 -2.639 6.161 1.00 30.44 H new ATOM 0 HA LYS A 80 -3.083 -3.199 8.455 1.00 1.25 H new ATOM 0 HB2 LYS A 80 -5.564 -2.929 8.706 1.00 62.10 H new ATOM 0 HB3 LYS A 80 -5.813 -4.273 7.609 1.00 62.10 H new ATOM 0 HG2 LYS A 80 -4.627 -5.781 9.212 1.00 52.02 H new ATOM 0 HG3 LYS A 80 -4.431 -4.433 10.316 1.00 52.02 H new ATOM 0 HD2 LYS A 80 -6.899 -4.178 10.468 1.00 51.44 H new ATOM 0 HD3 LYS A 80 -7.117 -5.492 9.330 1.00 51.44 H new ATOM 0 HE2 LYS A 80 -5.942 -7.035 10.925 1.00 23.44 H new ATOM 0 HE3 LYS A 80 -5.803 -5.717 12.071 1.00 23.44 H new ATOM 0 HZ1 LYS A 80 -7.710 -7.105 12.561 1.00 4.12 H new ATOM 0 HZ2 LYS A 80 -8.224 -5.545 12.127 1.00 4.12 H new ATOM 0 HZ3 LYS A 80 -8.359 -6.823 11.017 1.00 4.12 H new ATOM 1319 N ASP A 81 -2.173 -5.427 7.865 1.00 23.13 N ATOM 1320 CA ASP A 81 -1.464 -6.657 7.466 1.00 13.23 C ATOM 1321 C ASP A 81 -0.655 -6.474 6.162 1.00 50.44 C ATOM 1322 O ASP A 81 -1.149 -6.744 5.066 1.00 64.20 O ATOM 1323 CB ASP A 81 -2.444 -7.835 7.324 1.00 41.51 C ATOM 1324 CG ASP A 81 -3.245 -8.088 8.592 1.00 21.41 C ATOM 1325 OD1 ASP A 81 -2.633 -8.379 9.643 1.00 15.13 O ATOM 1326 OD2 ASP A 81 -4.490 -8.003 8.546 1.00 32.34 O ATOM 0 H ASP A 81 -1.836 -5.027 8.740 1.00 23.13 H new ATOM 0 HA ASP A 81 -0.754 -6.881 8.262 1.00 13.23 H new ATOM 0 HB2 ASP A 81 -3.129 -7.635 6.500 1.00 41.51 H new ATOM 0 HB3 ASP A 81 -1.888 -8.736 7.065 1.00 41.51 H new ATOM 1331 N VAL A 82 0.591 -6.003 6.284 1.00 31.42 N ATOM 1332 CA VAL A 82 1.484 -5.854 5.122 1.00 0.11 C ATOM 1333 C VAL A 82 2.935 -6.250 5.450 1.00 11.43 C ATOM 1334 O VAL A 82 3.298 -6.440 6.616 1.00 3.41 O ATOM 1335 CB VAL A 82 1.475 -4.409 4.554 1.00 62.22 C ATOM 1336 CG1 VAL A 82 0.119 -4.066 3.950 1.00 24.23 C ATOM 1337 CG2 VAL A 82 1.861 -3.393 5.626 1.00 2.42 C ATOM 0 H VAL A 82 1.006 -5.718 7.171 1.00 31.42 H new ATOM 0 HA VAL A 82 1.091 -6.534 4.366 1.00 0.11 H new ATOM 0 HB VAL A 82 2.221 -4.362 3.761 1.00 62.22 H new ATOM 0 HG11 VAL A 82 0.141 -3.048 3.560 1.00 24.23 H new ATOM 0 HG12 VAL A 82 -0.105 -4.760 3.140 1.00 24.23 H new ATOM 0 HG13 VAL A 82 -0.651 -4.144 4.717 1.00 24.23 H new ATOM 0 HG21 VAL A 82 1.846 -2.390 5.199 1.00 2.42 H new ATOM 0 HG22 VAL A 82 1.151 -3.447 6.451 1.00 2.42 H new ATOM 0 HG23 VAL A 82 2.862 -3.616 5.994 1.00 2.42 H new ATOM 1347 N ASN A 83 3.760 -6.381 4.410 1.00 44.35 N ATOM 1348 CA ASN A 83 5.169 -6.771 4.571 1.00 31.54 C ATOM 1349 C ASN A 83 6.122 -5.671 4.077 1.00 64.03 C ATOM 1350 O ASN A 83 6.110 -5.311 2.898 1.00 43.12 O ATOM 1351 CB ASN A 83 5.449 -8.072 3.804 1.00 2.05 C ATOM 1352 CG ASN A 83 4.618 -9.245 4.299 1.00 12.31 C ATOM 1353 OD1 ASN A 83 4.285 -9.246 5.571 1.00 35.21 O flip ATOM 1354 ND2 ASN A 83 4.278 -10.150 3.542 1.00 12.02 N flip ATOM 0 H ASN A 83 3.479 -6.223 3.442 1.00 44.35 H new ATOM 0 HA ASN A 83 5.347 -6.924 5.635 1.00 31.54 H new ATOM 0 HB2 ASN A 83 5.248 -7.913 2.745 1.00 2.05 H new ATOM 0 HB3 ASN A 83 6.507 -8.320 3.894 1.00 2.05 H new ATOM 0 HD21 ASN A 83 4.551 -10.123 2.560 1.00 12.02 H new ATOM 0 HD22 ASN A 83 3.723 -10.929 3.896 1.00 12.02 H new ATOM 1361 N ILE A 84 6.959 -5.153 4.977 1.00 21.13 N ATOM 1362 CA ILE A 84 7.950 -4.136 4.613 1.00 11.33 C ATOM 1363 C ILE A 84 9.187 -4.793 3.979 1.00 14.13 C ATOM 1364 O ILE A 84 9.940 -5.500 4.651 1.00 30.32 O ATOM 1365 CB ILE A 84 8.390 -3.305 5.848 1.00 71.24 C ATOM 1366 CG1 ILE A 84 7.162 -2.718 6.568 1.00 32.23 C ATOM 1367 CG2 ILE A 84 9.357 -2.193 5.437 1.00 75.32 C ATOM 1368 CD1 ILE A 84 6.329 -1.787 5.710 1.00 44.33 C ATOM 0 H ILE A 84 6.972 -5.419 5.962 1.00 21.13 H new ATOM 0 HA ILE A 84 7.480 -3.467 3.892 1.00 11.33 H new ATOM 0 HB ILE A 84 8.910 -3.968 6.539 1.00 71.24 H new ATOM 0 HG12 ILE A 84 6.532 -3.537 6.915 1.00 32.23 H new ATOM 0 HG13 ILE A 84 7.497 -2.177 7.453 1.00 32.23 H new ATOM 0 HG21 ILE A 84 9.652 -1.623 6.318 1.00 75.32 H new ATOM 0 HG22 ILE A 84 10.242 -2.632 4.976 1.00 75.32 H new ATOM 0 HG23 ILE A 84 8.867 -1.530 4.724 1.00 75.32 H new ATOM 0 HD11 ILE A 84 5.484 -1.416 6.290 1.00 44.33 H new ATOM 0 HD12 ILE A 84 6.942 -0.947 5.384 1.00 44.33 H new ATOM 0 HD13 ILE A 84 5.961 -2.328 4.838 1.00 44.33 H new ATOM 1380 N ARG A 85 9.394 -4.571 2.681 1.00 54.23 N ATOM 1381 CA ARG A 85 10.504 -5.213 1.964 1.00 12.31 C ATOM 1382 C ARG A 85 11.787 -4.363 1.989 1.00 64.23 C ATOM 1383 O ARG A 85 12.892 -4.899 1.904 1.00 70.31 O ATOM 1384 CB ARG A 85 10.088 -5.543 0.525 1.00 31.22 C ATOM 1385 CG ARG A 85 8.879 -6.477 0.446 1.00 13.12 C ATOM 1386 CD ARG A 85 9.110 -7.777 1.219 1.00 5.00 C ATOM 1387 NE ARG A 85 10.199 -8.571 0.649 1.00 60.21 N ATOM 1388 CZ ARG A 85 11.299 -8.891 1.281 1.00 11.43 C ATOM 1389 NH1 ARG A 85 11.488 -8.533 2.512 1.00 4.41 N ATOM 1390 NH2 ARG A 85 12.200 -9.597 0.686 1.00 24.22 N ATOM 0 H ARG A 85 8.816 -3.958 2.106 1.00 54.23 H new ATOM 0 HA ARG A 85 10.736 -6.142 2.485 1.00 12.31 H new ATOM 0 HB2 ARG A 85 9.858 -4.617 -0.001 1.00 31.22 H new ATOM 0 HB3 ARG A 85 10.929 -6.004 0.007 1.00 31.22 H new ATOM 0 HG2 ARG A 85 8.001 -5.969 0.845 1.00 13.12 H new ATOM 0 HG3 ARG A 85 8.667 -6.708 -0.598 1.00 13.12 H new ATOM 0 HD2 ARG A 85 9.338 -7.544 2.259 1.00 5.00 H new ATOM 0 HD3 ARG A 85 8.193 -8.367 1.218 1.00 5.00 H new ATOM 0 HE ARG A 85 10.093 -8.899 -0.311 1.00 60.21 H new ATOM 0 HH11 ARG A 85 10.774 -7.994 3.002 1.00 4.41 H new ATOM 0 HH12 ARG A 85 12.351 -8.790 2.991 1.00 4.41 H new ATOM 0 HH21 ARG A 85 12.054 -9.905 -0.275 1.00 24.22 H new ATOM 0 HH22 ARG A 85 13.058 -9.847 1.177 1.00 24.22 H new ATOM 1476 N LYS A 92 11.178 3.208 1.276 1.00 23.43 N ATOM 1477 CA LYS A 92 10.712 1.868 1.649 1.00 53.00 C ATOM 1478 C LYS A 92 9.367 1.500 0.998 1.00 23.12 C ATOM 1479 O LYS A 92 8.675 2.344 0.426 1.00 42.41 O ATOM 1480 CB LYS A 92 10.599 1.771 3.176 1.00 55.33 C ATOM 1481 CG LYS A 92 11.912 2.055 3.897 1.00 63.45 C ATOM 1482 CD LYS A 92 11.745 2.060 5.412 1.00 12.42 C ATOM 1483 CE LYS A 92 13.077 2.258 6.126 1.00 2.22 C ATOM 1484 NZ LYS A 92 13.735 3.542 5.759 1.00 43.33 N ATOM 0 HA LYS A 92 11.448 1.154 1.278 1.00 53.00 H new ATOM 0 HB2 LYS A 92 9.842 2.475 3.523 1.00 55.33 H new ATOM 0 HB3 LYS A 92 10.253 0.773 3.445 1.00 55.33 H new ATOM 0 HG2 LYS A 92 12.649 1.303 3.617 1.00 63.45 H new ATOM 0 HG3 LYS A 92 12.302 3.020 3.573 1.00 63.45 H new ATOM 0 HD2 LYS A 92 11.057 2.855 5.699 1.00 12.42 H new ATOM 0 HD3 LYS A 92 11.297 1.119 5.732 1.00 12.42 H new ATOM 0 HE2 LYS A 92 12.915 2.231 7.204 1.00 2.22 H new ATOM 0 HE3 LYS A 92 13.743 1.430 5.883 1.00 2.22 H new ATOM 0 HZ1 LYS A 92 14.565 3.693 6.368 1.00 43.33 H new ATOM 0 HZ2 LYS A 92 14.037 3.505 4.765 1.00 43.33 H new ATOM 0 HZ3 LYS A 92 13.063 4.326 5.888 1.00 43.33 H new ATOM 1498 N GLU A 93 8.988 0.229 1.131 1.00 4.02 N ATOM 1499 CA GLU A 93 7.798 -0.306 0.464 1.00 41.50 C ATOM 1500 C GLU A 93 7.046 -1.307 1.357 1.00 43.44 C ATOM 1501 O GLU A 93 7.648 -1.976 2.201 1.00 53.44 O ATOM 1502 CB GLU A 93 8.213 -0.992 -0.840 1.00 1.02 C ATOM 1503 CG GLU A 93 9.115 -2.206 -0.625 1.00 70.13 C ATOM 1504 CD GLU A 93 9.660 -2.773 -1.924 1.00 10.01 C ATOM 1505 OE1 GLU A 93 8.848 -3.119 -2.810 1.00 52.52 O ATOM 1506 OE2 GLU A 93 10.896 -2.875 -2.063 1.00 74.32 O ATOM 0 H GLU A 93 9.491 -0.454 1.698 1.00 4.02 H new ATOM 0 HA GLU A 93 7.125 0.526 0.256 1.00 41.50 H new ATOM 0 HB2 GLU A 93 7.318 -1.304 -1.379 1.00 1.02 H new ATOM 0 HB3 GLU A 93 8.731 -0.271 -1.473 1.00 1.02 H new ATOM 0 HG2 GLU A 93 9.947 -1.925 0.020 1.00 70.13 H new ATOM 0 HG3 GLU A 93 8.554 -2.981 -0.103 1.00 70.13 H new ATOM 1513 N ALA A 94 5.733 -1.419 1.145 1.00 72.12 N ATOM 1514 CA ALA A 94 4.889 -2.348 1.909 1.00 23.33 C ATOM 1515 C ALA A 94 3.971 -3.164 0.984 1.00 44.15 C ATOM 1516 O ALA A 94 3.120 -2.607 0.296 1.00 61.32 O ATOM 1517 CB ALA A 94 4.058 -1.578 2.933 1.00 24.04 C ATOM 0 H ALA A 94 5.226 -0.875 0.447 1.00 72.12 H new ATOM 0 HA ALA A 94 5.543 -3.047 2.430 1.00 23.33 H new ATOM 0 HB1 ALA A 94 3.436 -2.275 3.494 1.00 24.04 H new ATOM 0 HB2 ALA A 94 4.722 -1.051 3.618 1.00 24.04 H new ATOM 0 HB3 ALA A 94 3.422 -0.858 2.418 1.00 24.04 H new ATOM 1523 N HIS A 95 4.144 -4.485 0.977 1.00 32.11 N ATOM 1524 CA HIS A 95 3.346 -5.372 0.113 1.00 52.01 C ATOM 1525 C HIS A 95 2.098 -5.902 0.832 1.00 21.43 C ATOM 1526 O HIS A 95 2.168 -6.330 1.986 1.00 64.23 O ATOM 1527 CB HIS A 95 4.201 -6.548 -0.372 1.00 54.51 C ATOM 1528 CG HIS A 95 5.248 -6.154 -1.369 1.00 12.24 C ATOM 1529 ND1 HIS A 95 5.272 -6.693 -2.631 1.00 63.13 N ATOM 1530 CD2 HIS A 95 6.280 -5.290 -1.238 1.00 33.45 C ATOM 1531 CE1 HIS A 95 6.310 -6.146 -3.236 1.00 51.24 C ATOM 1532 NE2 HIS A 95 6.951 -5.292 -2.431 1.00 34.15 N ATOM 0 H HIS A 95 4.828 -4.970 1.558 1.00 32.11 H new ATOM 0 HA HIS A 95 3.015 -4.782 -0.741 1.00 52.01 H new ATOM 0 HB2 HIS A 95 4.685 -7.014 0.487 1.00 54.51 H new ATOM 0 HB3 HIS A 95 3.551 -7.300 -0.818 1.00 54.51 H new ATOM 0 HD2 HIS A 95 6.527 -4.710 -0.361 1.00 33.45 H new ATOM 0 HE1 HIS A 95 6.604 -6.361 -4.253 1.00 51.24 H new ATOM 0 HE2 HIS A 95 7.781 -4.746 -2.662 1.00 34.15 H new ATOM 1540 N LEU A 96 0.964 -5.878 0.133 1.00 52.12 N ATOM 1541 CA LEU A 96 -0.312 -6.345 0.695 1.00 54.42 C ATOM 1542 C LEU A 96 -0.520 -7.857 0.473 1.00 33.21 C ATOM 1543 O LEU A 96 0.344 -8.550 -0.069 1.00 31.43 O ATOM 1544 CB LEU A 96 -1.488 -5.557 0.089 1.00 71.24 C ATOM 1545 CG LEU A 96 -1.715 -4.148 0.667 1.00 35.23 C ATOM 1546 CD1 LEU A 96 -0.582 -3.200 0.276 1.00 10.12 C ATOM 1547 CD2 LEU A 96 -3.068 -3.595 0.223 1.00 22.04 C ATOM 0 H LEU A 96 0.898 -5.540 -0.827 1.00 52.12 H new ATOM 0 HA LEU A 96 -0.276 -6.168 1.770 1.00 54.42 H new ATOM 0 HB2 LEU A 96 -1.326 -5.467 -0.985 1.00 71.24 H new ATOM 0 HB3 LEU A 96 -2.400 -6.138 0.227 1.00 71.24 H new ATOM 0 HG LEU A 96 -1.719 -4.227 1.754 1.00 35.23 H new ATOM 0 HD11 LEU A 96 -0.771 -2.213 0.699 1.00 10.12 H new ATOM 0 HD12 LEU A 96 0.363 -3.584 0.660 1.00 10.12 H new ATOM 0 HD13 LEU A 96 -0.529 -3.125 -0.810 1.00 10.12 H new ATOM 0 HD21 LEU A 96 -3.209 -2.599 0.642 1.00 22.04 H new ATOM 0 HD22 LEU A 96 -3.099 -3.539 -0.865 1.00 22.04 H new ATOM 0 HD23 LEU A 96 -3.863 -4.252 0.575 1.00 22.04 H new ATOM 1559 N MET A 97 -1.683 -8.364 0.901 1.00 62.25 N ATOM 1560 CA MET A 97 -1.989 -9.803 0.846 1.00 10.13 C ATOM 1561 C MET A 97 -3.434 -10.033 0.359 1.00 42.33 C ATOM 1562 O MET A 97 -4.301 -9.191 0.574 1.00 54.55 O ATOM 1563 CB MET A 97 -1.819 -10.425 2.241 1.00 74.22 C ATOM 1564 CG MET A 97 -0.504 -10.077 2.913 1.00 63.21 C ATOM 1565 SD MET A 97 -0.386 -10.727 4.591 1.00 25.23 S ATOM 1566 CE MET A 97 1.024 -9.806 5.200 1.00 24.22 C ATOM 0 H MET A 97 -2.434 -7.796 1.292 1.00 62.25 H new ATOM 0 HA MET A 97 -1.300 -10.275 0.145 1.00 10.13 H new ATOM 0 HB2 MET A 97 -2.640 -10.095 2.878 1.00 74.22 H new ATOM 0 HB3 MET A 97 -1.897 -11.509 2.157 1.00 74.22 H new ATOM 0 HG2 MET A 97 0.319 -10.470 2.317 1.00 63.21 H new ATOM 0 HG3 MET A 97 -0.390 -8.993 2.939 1.00 63.21 H new ATOM 0 HE1 MET A 97 0.837 -9.490 6.226 1.00 24.22 H new ATOM 0 HE2 MET A 97 1.911 -10.438 5.171 1.00 24.22 H new ATOM 0 HE3 MET A 97 1.183 -8.928 4.574 1.00 24.22 H new ATOM 1576 N PRO A 98 -3.722 -11.185 -0.280 1.00 43.31 N ATOM 1577 CA PRO A 98 -5.077 -11.500 -0.798 1.00 43.31 C ATOM 1578 C PRO A 98 -6.211 -11.378 0.251 1.00 4.23 C ATOM 1579 O PRO A 98 -7.390 -11.358 -0.103 1.00 43.12 O ATOM 1580 CB PRO A 98 -4.936 -12.955 -1.274 1.00 23.34 C ATOM 1581 CG PRO A 98 -3.486 -13.104 -1.596 1.00 70.04 C ATOM 1582 CD PRO A 98 -2.756 -12.263 -0.581 1.00 23.52 C ATOM 0 HA PRO A 98 -5.372 -10.792 -1.572 1.00 43.31 H new ATOM 0 HB2 PRO A 98 -5.245 -13.658 -0.500 1.00 23.34 H new ATOM 0 HB3 PRO A 98 -5.559 -13.149 -2.147 1.00 23.34 H new ATOM 0 HG2 PRO A 98 -3.176 -14.147 -1.536 1.00 70.04 H new ATOM 0 HG3 PRO A 98 -3.273 -12.766 -2.610 1.00 70.04 H new ATOM 0 HD2 PRO A 98 -2.502 -12.837 0.310 1.00 23.52 H new ATOM 0 HD3 PRO A 98 -1.823 -11.867 -0.982 1.00 23.52 H new ATOM 1590 N ARG A 99 -5.858 -11.321 1.540 1.00 14.21 N ATOM 1591 CA ARG A 99 -6.855 -11.149 2.616 1.00 24.21 C ATOM 1592 C ARG A 99 -6.742 -9.787 3.327 1.00 10.24 C ATOM 1593 O ARG A 99 -7.604 -9.437 4.137 1.00 2.23 O ATOM 1594 CB ARG A 99 -6.732 -12.278 3.651 1.00 34.20 C ATOM 1595 CG ARG A 99 -7.193 -13.642 3.144 1.00 12.11 C ATOM 1596 CD ARG A 99 -7.107 -14.707 4.232 1.00 24.53 C ATOM 1597 NE ARG A 99 -7.702 -15.972 3.814 1.00 3.43 N ATOM 1598 CZ ARG A 99 -7.828 -17.012 4.589 1.00 61.32 C ATOM 1599 NH1 ARG A 99 -7.401 -16.987 5.814 1.00 2.40 N ATOM 1600 NH2 ARG A 99 -8.391 -18.081 4.133 1.00 15.12 N ATOM 0 H ARG A 99 -4.895 -11.391 1.868 1.00 14.21 H new ATOM 0 HA ARG A 99 -7.833 -11.188 2.136 1.00 24.21 H new ATOM 0 HB2 ARG A 99 -5.692 -12.353 3.969 1.00 34.20 H new ATOM 0 HB3 ARG A 99 -7.316 -12.014 4.532 1.00 34.20 H new ATOM 0 HG2 ARG A 99 -8.220 -13.569 2.787 1.00 12.11 H new ATOM 0 HG3 ARG A 99 -6.580 -13.940 2.294 1.00 12.11 H new ATOM 0 HD2 ARG A 99 -6.062 -14.869 4.497 1.00 24.53 H new ATOM 0 HD3 ARG A 99 -7.612 -14.349 5.129 1.00 24.53 H new ATOM 0 HE ARG A 99 -8.041 -16.047 2.855 1.00 3.43 H new ATOM 0 HH11 ARG A 99 -6.959 -16.145 6.183 1.00 2.40 H new ATOM 0 HH12 ARG A 99 -7.507 -17.809 6.408 1.00 2.40 H new ATOM 0 HH21 ARG A 99 -8.733 -18.107 3.172 1.00 15.12 H new ATOM 0 HH22 ARG A 99 -8.493 -18.899 4.733 1.00 15.12 H new ATOM 1614 N SER A 100 -5.700 -9.015 3.033 1.00 1.21 N ATOM 1615 CA SER A 100 -5.478 -7.740 3.733 1.00 24.13 C ATOM 1616 C SER A 100 -6.222 -6.585 3.050 1.00 23.23 C ATOM 1617 O SER A 100 -6.234 -6.471 1.824 1.00 53.25 O ATOM 1618 CB SER A 100 -3.982 -7.416 3.838 1.00 61.12 C ATOM 1619 OG SER A 100 -3.416 -7.086 2.583 1.00 15.31 O ATOM 0 H SER A 100 -5.001 -9.240 2.325 1.00 1.21 H new ATOM 0 HA SER A 100 -5.879 -7.855 4.740 1.00 24.13 H new ATOM 0 HB2 SER A 100 -3.840 -6.585 4.528 1.00 61.12 H new ATOM 0 HB3 SER A 100 -3.455 -8.273 4.258 1.00 61.12 H new ATOM 0 HG SER A 100 -2.583 -6.589 2.721 1.00 15.31 H new ATOM 1625 N THR A 101 -6.847 -5.725 3.857 1.00 11.43 N ATOM 1626 CA THR A 101 -7.674 -4.623 3.335 1.00 30.24 C ATOM 1627 C THR A 101 -7.237 -3.256 3.883 1.00 44.20 C ATOM 1628 O THR A 101 -6.389 -3.165 4.773 1.00 1.33 O ATOM 1629 CB THR A 101 -9.177 -4.831 3.668 1.00 61.50 C ATOM 1630 OG1 THR A 101 -9.367 -4.920 5.089 1.00 24.23 O ATOM 1631 CG2 THR A 101 -9.723 -6.092 3.001 1.00 33.23 C ATOM 0 H THR A 101 -6.799 -5.766 4.875 1.00 11.43 H new ATOM 0 HA THR A 101 -7.532 -4.632 2.254 1.00 30.24 H new ATOM 0 HB THR A 101 -9.723 -3.970 3.282 1.00 61.50 H new ATOM 0 HG1 THR A 101 -10.319 -5.049 5.284 1.00 24.23 H new ATOM 0 HG21 THR A 101 -10.777 -6.210 3.253 1.00 33.23 H new ATOM 0 HG22 THR A 101 -9.616 -6.007 1.920 1.00 33.23 H new ATOM 0 HG23 THR A 101 -9.166 -6.960 3.354 1.00 33.23 H new ATOM 1639 N VAL A 102 -7.827 -2.194 3.331 1.00 64.20 N ATOM 1640 CA VAL A 102 -7.539 -0.818 3.758 1.00 13.01 C ATOM 1641 C VAL A 102 -8.801 -0.131 4.303 1.00 64.04 C ATOM 1642 O VAL A 102 -9.923 -0.483 3.928 1.00 50.15 O ATOM 1643 CB VAL A 102 -6.974 0.030 2.588 1.00 63.02 C ATOM 1644 CG1 VAL A 102 -5.704 -0.598 2.022 1.00 13.02 C ATOM 1645 CG2 VAL A 102 -8.024 0.217 1.491 1.00 41.42 C ATOM 0 H VAL A 102 -8.514 -2.259 2.580 1.00 64.20 H new ATOM 0 HA VAL A 102 -6.791 -0.883 4.548 1.00 13.01 H new ATOM 0 HB VAL A 102 -6.717 1.014 2.981 1.00 63.02 H new ATOM 0 HG11 VAL A 102 -5.328 0.016 1.203 1.00 13.02 H new ATOM 0 HG12 VAL A 102 -4.949 -0.660 2.805 1.00 13.02 H new ATOM 0 HG13 VAL A 102 -5.927 -1.599 1.652 1.00 13.02 H new ATOM 0 HG21 VAL A 102 -7.603 0.815 0.683 1.00 41.42 H new ATOM 0 HG22 VAL A 102 -8.323 -0.757 1.104 1.00 41.42 H new ATOM 0 HG23 VAL A 102 -8.895 0.727 1.904 1.00 41.42 H new ATOM 1655 N GLU A 103 -8.615 0.857 5.171 1.00 60.40 N ATOM 1656 CA GLU A 103 -9.743 1.568 5.787 1.00 65.54 C ATOM 1657 C GLU A 103 -9.451 3.070 5.944 1.00 3.42 C ATOM 1658 O GLU A 103 -8.293 3.480 6.038 1.00 21.20 O ATOM 1659 CB GLU A 103 -10.051 0.955 7.159 1.00 32.50 C ATOM 1660 CG GLU A 103 -8.922 1.121 8.171 1.00 71.02 C ATOM 1661 CD GLU A 103 -9.230 0.479 9.512 1.00 3.53 C ATOM 1662 OE1 GLU A 103 -10.194 0.910 10.178 1.00 62.15 O ATOM 1663 OE2 GLU A 103 -8.508 -0.459 9.914 1.00 65.52 O ATOM 0 H GLU A 103 -7.697 1.188 5.468 1.00 60.40 H new ATOM 0 HA GLU A 103 -10.606 1.462 5.129 1.00 65.54 H new ATOM 0 HB2 GLU A 103 -10.955 1.415 7.558 1.00 32.50 H new ATOM 0 HB3 GLU A 103 -10.262 -0.107 7.034 1.00 32.50 H new ATOM 0 HG2 GLU A 103 -8.010 0.683 7.765 1.00 71.02 H new ATOM 0 HG3 GLU A 103 -8.727 2.183 8.319 1.00 71.02 H new ATOM 1670 N VAL A 104 -10.503 3.888 5.971 1.00 54.23 N ATOM 1671 CA VAL A 104 -10.355 5.330 6.187 1.00 44.30 C ATOM 1672 C VAL A 104 -10.554 5.688 7.670 1.00 52.43 C ATOM 1673 O VAL A 104 -11.531 5.277 8.296 1.00 51.21 O ATOM 1674 CB VAL A 104 -11.341 6.145 5.305 1.00 52.02 C ATOM 1675 CG1 VAL A 104 -11.021 5.959 3.821 1.00 30.01 C ATOM 1676 CG2 VAL A 104 -12.794 5.759 5.596 1.00 1.41 C ATOM 0 H VAL A 104 -11.467 3.579 5.846 1.00 54.23 H new ATOM 0 HA VAL A 104 -9.339 5.596 5.895 1.00 44.30 H new ATOM 0 HB VAL A 104 -11.218 7.199 5.554 1.00 52.02 H new ATOM 0 HG11 VAL A 104 -11.724 6.538 3.222 1.00 30.01 H new ATOM 0 HG12 VAL A 104 -10.006 6.302 3.622 1.00 30.01 H new ATOM 0 HG13 VAL A 104 -11.106 4.904 3.560 1.00 30.01 H new ATOM 0 HG21 VAL A 104 -13.460 6.346 4.964 1.00 1.41 H new ATOM 0 HG22 VAL A 104 -12.937 4.699 5.388 1.00 1.41 H new ATOM 0 HG23 VAL A 104 -13.020 5.957 6.644 1.00 1.41 H new ATOM 1686 N LEU A 105 -9.615 6.446 8.235 1.00 53.22 N ATOM 1687 CA LEU A 105 -9.638 6.762 9.673 1.00 53.54 C ATOM 1688 C LEU A 105 -10.100 8.201 9.963 1.00 33.23 C ATOM 1689 O LEU A 105 -11.177 8.421 10.529 1.00 71.35 O ATOM 1690 CB LEU A 105 -8.243 6.539 10.273 1.00 31.22 C ATOM 1691 CG LEU A 105 -7.677 5.119 10.117 1.00 55.34 C ATOM 1692 CD1 LEU A 105 -6.285 5.027 10.738 1.00 10.41 C ATOM 1693 CD2 LEU A 105 -8.619 4.088 10.738 1.00 60.02 C ATOM 0 H LEU A 105 -8.830 6.854 7.727 1.00 53.22 H new ATOM 0 HA LEU A 105 -10.364 6.093 10.135 1.00 53.54 H new ATOM 0 HB2 LEU A 105 -7.550 7.241 9.809 1.00 31.22 H new ATOM 0 HB3 LEU A 105 -8.280 6.782 11.335 1.00 31.22 H new ATOM 0 HG LEU A 105 -7.592 4.899 9.053 1.00 55.34 H new ATOM 0 HD11 LEU A 105 -5.899 4.015 10.618 1.00 10.41 H new ATOM 0 HD12 LEU A 105 -5.617 5.731 10.241 1.00 10.41 H new ATOM 0 HD13 LEU A 105 -6.343 5.270 11.799 1.00 10.41 H new ATOM 0 HD21 LEU A 105 -8.198 3.090 10.616 1.00 60.02 H new ATOM 0 HD22 LEU A 105 -8.743 4.302 11.800 1.00 60.02 H new ATOM 0 HD23 LEU A 105 -9.589 4.136 10.242 1.00 60.02 H new