USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 857 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 79 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 80 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 76 TYR OH : rot -61:sc= 1.2 USER MOD Set 2.2: A 97 LYS NZ :NH3+ -166:sc= -0.0636 (180deg=-0.381) USER MOD Set 3.1: A 68 THR OG1 : rot -95:sc= 0.464 USER MOD Set 3.2: A 69 ASN : amide:sc= -1.94 K(o=-1.5,f=-5.4!) USER MOD Set 4.1: A 36 HIS : no HE2:sc= -0.125 X(o=-0.11,f=-0.58) USER MOD Set 4.2: A 66 THR OG1 : rot 170:sc= 0.0136 USER MOD Set 5.1: A 39 SER OG : rot 150:sc= 0.383 USER MOD Set 5.2: A 42 SER OG : rot 102:sc= 1.23 USER MOD Single : A 12 HIS : no HD1:sc= -0.0395 X(o=-0.039,f=-0.3) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 60:sc= 0.268 USER MOD Single : A 24 THR OG1 : rot 72:sc= 0.324 USER MOD Single : A 26 SER OG : rot 180:sc= -0.1 USER MOD Single : A 27 ASN : amide:sc= -0.9 X(o=-0.9,f=-1) USER MOD Single : A 30 SER OG : rot -29:sc= 0.122 USER MOD Single : A 35 THR OG1 : rot -140:sc= -3.09! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -171:sc= -0.0793 (180deg=-0.085) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0823) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 165:sc= -0.121 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.16 X(o=-0.16,f=-0.49) USER MOD Single : A 83 THR OG1 : rot -73:sc= 0.0253 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 168 N HIS A 12 11.590 12.316 -10.646 1.00 53.12 N ATOM 169 CA HIS A 12 10.561 12.204 -9.618 1.00 60.52 C ATOM 170 C HIS A 12 11.119 12.578 -8.248 1.00 54.13 C ATOM 171 O HIS A 12 11.795 11.778 -7.602 1.00 63.12 O ATOM 172 CB HIS A 12 10.000 10.782 -9.582 1.00 32.20 C ATOM 173 CG HIS A 12 8.989 10.564 -8.498 1.00 5.10 C ATOM 174 ND1 HIS A 12 8.148 11.557 -8.043 1.00 55.05 N ATOM 175 CD2 HIS A 12 8.687 9.458 -7.778 1.00 43.15 C ATOM 176 CE1 HIS A 12 7.372 11.072 -7.090 1.00 64.31 C ATOM 177 NE2 HIS A 12 7.680 9.800 -6.910 1.00 74.35 N ATOM 0 HA HIS A 12 9.758 12.898 -9.865 1.00 60.52 H new ATOM 0 HB2 HIS A 12 9.542 10.556 -10.545 1.00 32.20 H new ATOM 0 HB3 HIS A 12 10.822 10.079 -9.447 1.00 32.20 H new ATOM 0 HD2 HIS A 12 9.152 8.487 -7.869 1.00 43.15 H new ATOM 0 HE1 HIS A 12 6.615 11.622 -6.550 1.00 64.31 H new ATOM 0 HE2 HIS A 12 7.241 9.174 -6.235 1.00 74.35 H new ATOM 185 N VAL A 13 10.831 13.800 -7.811 1.00 54.04 N ATOM 186 CA VAL A 13 11.303 14.281 -6.518 1.00 71.44 C ATOM 187 C VAL A 13 10.136 14.580 -5.584 1.00 21.43 C ATOM 188 O VAL A 13 9.163 15.224 -5.976 1.00 71.21 O ATOM 189 CB VAL A 13 12.162 15.550 -6.671 1.00 63.40 C ATOM 190 CG1 VAL A 13 12.768 15.949 -5.334 1.00 33.21 C ATOM 191 CG2 VAL A 13 13.248 15.335 -7.714 1.00 62.24 C ATOM 0 H VAL A 13 10.273 14.475 -8.334 1.00 54.04 H new ATOM 0 HA VAL A 13 11.914 13.487 -6.089 1.00 71.44 H new ATOM 0 HB VAL A 13 11.520 16.363 -7.009 1.00 63.40 H new ATOM 0 HG11 VAL A 13 13.372 16.848 -5.462 1.00 33.21 H new ATOM 0 HG12 VAL A 13 11.971 16.146 -4.618 1.00 33.21 H new ATOM 0 HG13 VAL A 13 13.397 15.139 -4.963 1.00 33.21 H new ATOM 0 HG21 VAL A 13 13.846 16.242 -7.809 1.00 62.24 H new ATOM 0 HG22 VAL A 13 13.889 14.509 -7.407 1.00 62.24 H new ATOM 0 HG23 VAL A 13 12.789 15.100 -8.674 1.00 62.24 H new ATOM 201 N ILE A 14 10.241 14.108 -4.346 1.00 20.01 N ATOM 202 CA ILE A 14 9.195 14.326 -3.355 1.00 0.44 C ATOM 203 C ILE A 14 9.173 15.778 -2.889 1.00 45.30 C ATOM 204 O ILE A 14 9.999 16.589 -3.309 1.00 3.20 O ATOM 205 CB ILE A 14 9.379 13.409 -2.131 1.00 13.40 C ATOM 206 CG1 ILE A 14 10.394 14.015 -1.160 1.00 42.30 C ATOM 207 CG2 ILE A 14 9.821 12.022 -2.571 1.00 30.33 C ATOM 208 CD1 ILE A 14 11.730 14.325 -1.798 1.00 41.24 C ATOM 0 H ILE A 14 11.040 13.572 -4.006 1.00 20.01 H new ATOM 0 HA ILE A 14 8.248 14.087 -3.839 1.00 0.44 H new ATOM 0 HB ILE A 14 8.423 13.318 -1.616 1.00 13.40 H new ATOM 0 HG12 ILE A 14 9.980 14.931 -0.739 1.00 42.30 H new ATOM 0 HG13 ILE A 14 10.548 13.325 -0.331 1.00 42.30 H new ATOM 0 HG21 ILE A 14 9.947 11.385 -1.695 1.00 30.33 H new ATOM 0 HG22 ILE A 14 9.065 11.591 -3.228 1.00 30.33 H new ATOM 0 HG23 ILE A 14 10.768 12.095 -3.106 1.00 30.33 H new ATOM 0 HD11 ILE A 14 12.400 14.752 -1.051 1.00 41.24 H new ATOM 0 HD12 ILE A 14 12.166 13.408 -2.194 1.00 41.24 H new ATOM 0 HD13 ILE A 14 11.589 15.039 -2.609 1.00 41.24 H new ATOM 220 N LYS A 15 8.224 16.100 -2.017 1.00 1.21 N ATOM 221 CA LYS A 15 8.095 17.454 -1.490 1.00 63.41 C ATOM 222 C LYS A 15 7.182 17.477 -0.269 1.00 10.44 C ATOM 223 O LYS A 15 6.321 18.348 -0.143 1.00 33.23 O ATOM 224 CB LYS A 15 7.548 18.392 -2.568 1.00 10.43 C ATOM 225 CG LYS A 15 7.822 19.861 -2.291 1.00 73.33 C ATOM 226 CD LYS A 15 8.036 20.640 -3.578 1.00 64.31 C ATOM 227 CE LYS A 15 6.778 20.662 -4.433 1.00 4.13 C ATOM 228 NZ LYS A 15 7.009 20.061 -5.776 1.00 3.44 N ATOM 0 H LYS A 15 7.532 15.441 -1.660 1.00 1.21 H new ATOM 0 HA LYS A 15 9.085 17.796 -1.188 1.00 63.41 H new ATOM 0 HB2 LYS A 15 7.988 18.124 -3.529 1.00 10.43 H new ATOM 0 HB3 LYS A 15 6.472 18.242 -2.657 1.00 10.43 H new ATOM 0 HG2 LYS A 15 6.986 20.290 -1.739 1.00 73.33 H new ATOM 0 HG3 LYS A 15 8.704 19.954 -1.657 1.00 73.33 H new ATOM 0 HD2 LYS A 15 8.334 21.661 -3.341 1.00 64.31 H new ATOM 0 HD3 LYS A 15 8.854 20.193 -4.143 1.00 64.31 H new ATOM 0 HE2 LYS A 15 5.983 20.117 -3.923 1.00 4.13 H new ATOM 0 HE3 LYS A 15 6.436 21.690 -4.549 1.00 4.13 H new ATOM 0 HZ1 LYS A 15 6.128 20.095 -6.328 1.00 3.44 H new ATOM 0 HZ2 LYS A 15 7.750 20.596 -6.273 1.00 3.44 H new ATOM 0 HZ3 LYS A 15 7.311 19.072 -5.666 1.00 3.44 H new ATOM 242 N SER A 16 7.377 16.517 0.629 1.00 1.14 N ATOM 243 CA SER A 16 6.569 16.427 1.840 1.00 62.10 C ATOM 244 C SER A 16 7.049 15.284 2.730 1.00 45.52 C ATOM 245 O SER A 16 7.761 14.386 2.277 1.00 15.13 O ATOM 246 CB SER A 16 5.096 16.224 1.481 1.00 12.43 C ATOM 247 OG SER A 16 4.343 17.398 1.736 1.00 30.42 O ATOM 0 H SER A 16 8.087 15.790 0.541 1.00 1.14 H new ATOM 0 HA SER A 16 6.677 17.362 2.389 1.00 62.10 H new ATOM 0 HB2 SER A 16 5.009 15.953 0.429 1.00 12.43 H new ATOM 0 HB3 SER A 16 4.689 15.394 2.058 1.00 12.43 H new ATOM 0 HG SER A 16 4.703 18.139 1.205 1.00 30.42 H new ATOM 253 N LEU A 17 6.656 15.325 3.998 1.00 42.41 N ATOM 254 CA LEU A 17 7.046 14.294 4.953 1.00 14.25 C ATOM 255 C LEU A 17 6.403 12.956 4.603 1.00 54.22 C ATOM 256 O LEU A 17 7.090 11.946 4.456 1.00 42.54 O ATOM 257 CB LEU A 17 6.647 14.708 6.371 1.00 4.22 C ATOM 258 CG LEU A 17 7.609 14.295 7.486 1.00 34.51 C ATOM 259 CD1 LEU A 17 8.929 15.038 7.356 1.00 71.02 C ATOM 260 CD2 LEU A 17 6.984 14.548 8.850 1.00 11.33 C ATOM 0 H LEU A 17 6.068 16.061 4.389 1.00 42.41 H new ATOM 0 HA LEU A 17 8.129 14.180 4.905 1.00 14.25 H new ATOM 0 HB2 LEU A 17 6.539 15.792 6.395 1.00 4.22 H new ATOM 0 HB3 LEU A 17 5.666 14.285 6.589 1.00 4.22 H new ATOM 0 HG LEU A 17 7.807 13.227 7.391 1.00 34.51 H new ATOM 0 HD11 LEU A 17 9.600 14.731 8.158 1.00 71.02 H new ATOM 0 HD12 LEU A 17 9.384 14.806 6.393 1.00 71.02 H new ATOM 0 HD13 LEU A 17 8.751 16.111 7.423 1.00 71.02 H new ATOM 0 HD21 LEU A 17 7.682 14.248 9.631 1.00 11.33 H new ATOM 0 HD22 LEU A 17 6.756 15.609 8.955 1.00 11.33 H new ATOM 0 HD23 LEU A 17 6.066 13.968 8.943 1.00 11.33 H new ATOM 272 N GLU A 18 5.080 12.958 4.469 1.00 50.05 N ATOM 273 CA GLU A 18 4.345 11.744 4.133 1.00 22.14 C ATOM 274 C GLU A 18 4.946 11.065 2.906 1.00 5.30 C ATOM 275 O GLU A 18 5.199 9.861 2.912 1.00 51.01 O ATOM 276 CB GLU A 18 2.871 12.067 3.880 1.00 21.24 C ATOM 277 CG GLU A 18 1.930 11.465 4.911 1.00 65.44 C ATOM 278 CD GLU A 18 1.471 10.069 4.535 1.00 13.25 C ATOM 279 OE1 GLU A 18 0.914 9.906 3.430 1.00 54.14 O ATOM 280 OE2 GLU A 18 1.667 9.141 5.347 1.00 24.10 O ATOM 0 H GLU A 18 4.496 13.786 4.588 1.00 50.05 H new ATOM 0 HA GLU A 18 4.420 11.060 4.978 1.00 22.14 H new ATOM 0 HB2 GLU A 18 2.741 13.149 3.870 1.00 21.24 H new ATOM 0 HB3 GLU A 18 2.593 11.704 2.891 1.00 21.24 H new ATOM 0 HG2 GLU A 18 2.431 11.431 5.879 1.00 65.44 H new ATOM 0 HG3 GLU A 18 1.060 12.111 5.025 1.00 65.44 H new ATOM 287 N GLU A 19 5.172 11.848 1.855 1.00 23.14 N ATOM 288 CA GLU A 19 5.742 11.322 0.621 1.00 44.14 C ATOM 289 C GLU A 19 7.022 10.539 0.902 1.00 15.01 C ATOM 290 O GLU A 19 7.295 9.523 0.262 1.00 75.32 O ATOM 291 CB GLU A 19 6.034 12.461 -0.358 1.00 52.44 C ATOM 292 CG GLU A 19 5.889 12.062 -1.817 1.00 54.53 C ATOM 293 CD GLU A 19 4.440 11.988 -2.260 1.00 43.34 C ATOM 294 OE1 GLU A 19 4.200 11.747 -3.462 1.00 51.41 O ATOM 295 OE2 GLU A 19 3.548 12.171 -1.407 1.00 12.25 O ATOM 0 H GLU A 19 4.969 12.847 1.834 1.00 23.14 H new ATOM 0 HA GLU A 19 5.013 10.646 0.175 1.00 44.14 H new ATOM 0 HB2 GLU A 19 5.359 13.291 -0.148 1.00 52.44 H new ATOM 0 HB3 GLU A 19 7.048 12.824 -0.188 1.00 52.44 H new ATOM 0 HG2 GLU A 19 6.420 12.781 -2.441 1.00 54.53 H new ATOM 0 HG3 GLU A 19 6.363 11.093 -1.974 1.00 54.53 H new ATOM 302 N LEU A 20 7.803 11.019 1.863 1.00 15.33 N ATOM 303 CA LEU A 20 9.054 10.366 2.231 1.00 71.45 C ATOM 304 C LEU A 20 8.789 9.037 2.931 1.00 20.13 C ATOM 305 O LEU A 20 9.140 7.973 2.420 1.00 53.41 O ATOM 306 CB LEU A 20 9.882 11.278 3.138 1.00 75.42 C ATOM 307 CG LEU A 20 11.389 11.291 2.881 1.00 31.54 C ATOM 308 CD1 LEU A 20 11.707 12.058 1.608 1.00 61.14 C ATOM 309 CD2 LEU A 20 12.127 11.894 4.068 1.00 74.41 C ATOM 0 H LEU A 20 7.592 11.859 2.402 1.00 15.33 H new ATOM 0 HA LEU A 20 9.614 10.169 1.317 1.00 71.45 H new ATOM 0 HB2 LEU A 20 9.507 12.296 3.035 1.00 75.42 H new ATOM 0 HB3 LEU A 20 9.713 10.979 4.172 1.00 75.42 H new ATOM 0 HG LEU A 20 11.725 10.262 2.754 1.00 31.54 H new ATOM 0 HD11 LEU A 20 12.784 12.056 1.442 1.00 61.14 H new ATOM 0 HD12 LEU A 20 11.209 11.583 0.763 1.00 61.14 H new ATOM 0 HD13 LEU A 20 11.356 13.086 1.705 1.00 61.14 H new ATOM 0 HD21 LEU A 20 13.198 11.895 3.868 1.00 74.41 H new ATOM 0 HD22 LEU A 20 11.786 12.917 4.227 1.00 74.41 H new ATOM 0 HD23 LEU A 20 11.925 11.302 4.961 1.00 74.41 H new ATOM 321 N ARG A 21 8.166 9.106 4.103 1.00 22.23 N ATOM 322 CA ARG A 21 7.853 7.908 4.874 1.00 41.33 C ATOM 323 C ARG A 21 7.102 6.892 4.018 1.00 13.52 C ATOM 324 O ARG A 21 7.191 5.687 4.248 1.00 12.03 O ATOM 325 CB ARG A 21 7.019 8.271 6.104 1.00 44.00 C ATOM 326 CG ARG A 21 7.105 7.245 7.222 1.00 61.21 C ATOM 327 CD ARG A 21 5.968 7.410 8.218 1.00 74.54 C ATOM 328 NE ARG A 21 4.681 7.016 7.649 1.00 22.32 N ATOM 329 CZ ARG A 21 3.554 6.960 8.350 1.00 23.41 C ATOM 330 NH1 ARG A 21 3.555 7.271 9.639 1.00 61.01 N ATOM 331 NH2 ARG A 21 2.423 6.592 7.762 1.00 42.02 N ATOM 0 H ARG A 21 7.868 9.978 4.540 1.00 22.23 H new ATOM 0 HA ARG A 21 8.792 7.460 5.200 1.00 41.33 H new ATOM 0 HB2 ARG A 21 7.349 9.238 6.484 1.00 44.00 H new ATOM 0 HB3 ARG A 21 5.977 8.384 5.805 1.00 44.00 H new ATOM 0 HG2 ARG A 21 7.077 6.241 6.799 1.00 61.21 H new ATOM 0 HG3 ARG A 21 8.060 7.347 7.738 1.00 61.21 H new ATOM 0 HD2 ARG A 21 6.172 6.809 9.104 1.00 74.54 H new ATOM 0 HD3 ARG A 21 5.918 8.449 8.542 1.00 74.54 H new ATOM 0 HE ARG A 21 4.646 6.771 6.660 1.00 22.32 H new ATOM 0 HH11 ARG A 21 4.423 7.554 10.095 1.00 61.01 H new ATOM 0 HH12 ARG A 21 2.688 7.227 10.175 1.00 61.01 H new ATOM 0 HH21 ARG A 21 2.418 6.352 6.771 1.00 42.02 H new ATOM 0 HH22 ARG A 21 1.558 6.549 8.301 1.00 42.02 H new ATOM 345 N GLU A 22 6.362 7.389 3.032 1.00 50.24 N ATOM 346 CA GLU A 22 5.594 6.524 2.143 1.00 4.33 C ATOM 347 C GLU A 22 6.515 5.778 1.182 1.00 73.31 C ATOM 348 O GLU A 22 6.397 4.565 1.010 1.00 65.14 O ATOM 349 CB GLU A 22 4.572 7.345 1.354 1.00 30.23 C ATOM 350 CG GLU A 22 3.697 6.507 0.437 1.00 50.41 C ATOM 351 CD GLU A 22 2.625 7.327 -0.255 1.00 62.13 C ATOM 352 OE1 GLU A 22 2.796 7.635 -1.454 1.00 30.34 O ATOM 353 OE2 GLU A 22 1.617 7.661 0.401 1.00 74.33 O ATOM 0 H GLU A 22 6.278 8.385 2.828 1.00 50.24 H new ATOM 0 HA GLU A 22 5.066 5.793 2.755 1.00 4.33 H new ATOM 0 HB2 GLU A 22 3.936 7.887 2.054 1.00 30.23 H new ATOM 0 HB3 GLU A 22 5.099 8.090 0.758 1.00 30.23 H new ATOM 0 HG2 GLU A 22 4.322 6.024 -0.314 1.00 50.41 H new ATOM 0 HG3 GLU A 22 3.225 5.713 1.016 1.00 50.41 H new ATOM 360 N ALA A 23 7.430 6.512 0.558 1.00 52.12 N ATOM 361 CA ALA A 23 8.371 5.920 -0.385 1.00 0.50 C ATOM 362 C ALA A 23 9.235 4.862 0.293 1.00 74.03 C ATOM 363 O ALA A 23 9.725 3.937 -0.356 1.00 21.03 O ATOM 364 CB ALA A 23 9.246 7.000 -1.005 1.00 54.03 C ATOM 0 H ALA A 23 7.540 7.518 0.688 1.00 52.12 H new ATOM 0 HA ALA A 23 7.799 5.433 -1.175 1.00 0.50 H new ATOM 0 HB1 ALA A 23 9.944 6.544 -1.707 1.00 54.03 H new ATOM 0 HB2 ALA A 23 8.618 7.719 -1.532 1.00 54.03 H new ATOM 0 HB3 ALA A 23 9.803 7.512 -0.220 1.00 54.03 H new ATOM 370 N THR A 24 9.418 5.004 1.602 1.00 70.42 N ATOM 371 CA THR A 24 10.224 4.061 2.367 1.00 20.20 C ATOM 372 C THR A 24 9.453 2.775 2.642 1.00 30.11 C ATOM 373 O THR A 24 10.046 1.719 2.862 1.00 2.54 O ATOM 374 CB THR A 24 10.680 4.669 3.707 1.00 54.33 C ATOM 375 OG1 THR A 24 9.783 5.714 4.101 1.00 72.24 O ATOM 376 CG2 THR A 24 12.093 5.222 3.597 1.00 32.24 C ATOM 0 H THR A 24 9.019 5.763 2.154 1.00 70.42 H new ATOM 0 HA THR A 24 11.102 3.833 1.762 1.00 20.20 H new ATOM 0 HB THR A 24 10.673 3.881 4.460 1.00 54.33 H new ATOM 0 HG1 THR A 24 8.931 5.323 4.388 1.00 72.24 H new ATOM 0 HG21 THR A 24 12.393 5.646 4.555 1.00 32.24 H new ATOM 0 HG22 THR A 24 12.778 4.419 3.325 1.00 32.24 H new ATOM 0 HG23 THR A 24 12.122 5.998 2.832 1.00 32.24 H new ATOM 384 N ALA A 25 8.128 2.870 2.627 1.00 15.51 N ATOM 385 CA ALA A 25 7.275 1.714 2.872 1.00 24.43 C ATOM 386 C ALA A 25 7.187 0.825 1.636 1.00 12.21 C ATOM 387 O ALA A 25 6.921 -0.372 1.738 1.00 23.44 O ATOM 388 CB ALA A 25 5.887 2.163 3.303 1.00 72.44 C ATOM 0 H ALA A 25 7.621 3.737 2.447 1.00 15.51 H new ATOM 0 HA ALA A 25 7.720 1.129 3.677 1.00 24.43 H new ATOM 0 HB1 ALA A 25 5.261 1.289 3.482 1.00 72.44 H new ATOM 0 HB2 ALA A 25 5.962 2.749 4.219 1.00 72.44 H new ATOM 0 HB3 ALA A 25 5.442 2.773 2.517 1.00 72.44 H new ATOM 394 N SER A 26 7.410 1.420 0.468 1.00 30.25 N ATOM 395 CA SER A 26 7.351 0.683 -0.788 1.00 73.24 C ATOM 396 C SER A 26 8.234 -0.560 -0.732 1.00 1.23 C ATOM 397 O SER A 26 9.306 -0.545 -0.129 1.00 64.20 O ATOM 398 CB SER A 26 7.785 1.578 -1.950 1.00 52.42 C ATOM 399 OG SER A 26 7.785 0.863 -3.173 1.00 60.23 O ATOM 0 H SER A 26 7.633 2.410 0.366 1.00 30.25 H new ATOM 0 HA SER A 26 6.320 0.368 -0.947 1.00 73.24 H new ATOM 0 HB2 SER A 26 7.113 2.433 -2.025 1.00 52.42 H new ATOM 0 HB3 SER A 26 8.782 1.973 -1.756 1.00 52.42 H new ATOM 0 HG SER A 26 8.064 1.458 -3.900 1.00 60.23 H new ATOM 405 N ASN A 27 7.774 -1.634 -1.364 1.00 63.44 N ATOM 406 CA ASN A 27 8.522 -2.887 -1.386 1.00 55.42 C ATOM 407 C ASN A 27 9.371 -2.991 -2.649 1.00 71.42 C ATOM 408 O ASN A 27 9.524 -4.072 -3.219 1.00 31.13 O ATOM 409 CB ASN A 27 7.564 -4.077 -1.302 1.00 24.35 C ATOM 410 CG ASN A 27 6.816 -4.311 -2.600 1.00 25.32 C ATOM 411 OD1 ASN A 27 7.178 -5.184 -3.389 1.00 64.10 O ATOM 412 ND2 ASN A 27 5.767 -3.530 -2.827 1.00 0.10 N ATOM 0 H ASN A 27 6.888 -1.663 -1.868 1.00 63.44 H new ATOM 0 HA ASN A 27 9.186 -2.901 -0.522 1.00 55.42 H new ATOM 0 HB2 ASN A 27 8.126 -4.974 -1.043 1.00 24.35 H new ATOM 0 HB3 ASN A 27 6.847 -3.907 -0.499 1.00 24.35 H new ATOM 0 HD21 ASN A 27 5.225 -3.641 -3.684 1.00 0.10 H new ATOM 0 HD22 ASN A 27 5.503 -2.819 -2.145 1.00 0.10 H new ATOM 419 N ARG A 28 9.921 -1.861 -3.081 1.00 23.41 N ATOM 420 CA ARG A 28 10.755 -1.826 -4.277 1.00 12.45 C ATOM 421 C ARG A 28 12.173 -1.376 -3.937 1.00 61.43 C ATOM 422 O ARG A 28 12.541 -1.282 -2.766 1.00 63.21 O ATOM 423 CB ARG A 28 10.147 -0.887 -5.320 1.00 12.40 C ATOM 424 CG ARG A 28 8.689 -1.183 -5.630 1.00 73.33 C ATOM 425 CD ARG A 28 8.474 -1.429 -7.116 1.00 21.25 C ATOM 426 NE ARG A 28 9.053 -2.698 -7.550 1.00 2.44 N ATOM 427 CZ ARG A 28 8.705 -3.319 -8.671 1.00 30.12 C ATOM 428 NH1 ARG A 28 7.785 -2.791 -9.467 1.00 24.41 N ATOM 429 NH2 ARG A 28 9.277 -4.471 -8.998 1.00 4.42 N ATOM 0 H ARG A 28 9.804 -0.958 -2.621 1.00 23.41 H new ATOM 0 HA ARG A 28 10.801 -2.834 -4.688 1.00 12.45 H new ATOM 0 HB2 ARG A 28 10.233 0.140 -4.966 1.00 12.40 H new ATOM 0 HB3 ARG A 28 10.727 -0.956 -6.241 1.00 12.40 H new ATOM 0 HG2 ARG A 28 8.366 -2.057 -5.065 1.00 73.33 H new ATOM 0 HG3 ARG A 28 8.070 -0.347 -5.305 1.00 73.33 H new ATOM 0 HD2 ARG A 28 7.406 -1.425 -7.333 1.00 21.25 H new ATOM 0 HD3 ARG A 28 8.919 -0.614 -7.687 1.00 21.25 H new ATOM 0 HE ARG A 28 9.763 -3.131 -6.960 1.00 2.44 H new ATOM 0 HH11 ARG A 28 7.343 -1.906 -9.219 1.00 24.41 H new ATOM 0 HH12 ARG A 28 7.519 -3.270 -10.328 1.00 24.41 H new ATOM 0 HH21 ARG A 28 9.985 -4.880 -8.388 1.00 4.42 H new ATOM 0 HH22 ARG A 28 9.009 -4.947 -9.859 1.00 4.42 H new ATOM 443 N ILE A 29 12.964 -1.101 -4.969 1.00 73.32 N ATOM 444 CA ILE A 29 14.340 -0.662 -4.780 1.00 45.22 C ATOM 445 C ILE A 29 14.467 0.846 -4.967 1.00 53.33 C ATOM 446 O ILE A 29 14.510 1.341 -6.094 1.00 24.13 O ATOM 447 CB ILE A 29 15.297 -1.371 -5.757 1.00 50.21 C ATOM 448 CG1 ILE A 29 15.039 -2.879 -5.754 1.00 12.15 C ATOM 449 CG2 ILE A 29 16.744 -1.075 -5.391 1.00 14.34 C ATOM 450 CD1 ILE A 29 14.280 -3.365 -6.969 1.00 11.15 C ATOM 0 H ILE A 29 12.675 -1.175 -5.944 1.00 73.32 H new ATOM 0 HA ILE A 29 14.617 -0.924 -3.759 1.00 45.22 H new ATOM 0 HB ILE A 29 15.112 -0.992 -6.762 1.00 50.21 H new ATOM 0 HG12 ILE A 29 15.993 -3.403 -5.699 1.00 12.15 H new ATOM 0 HG13 ILE A 29 14.479 -3.142 -4.857 1.00 12.15 H new ATOM 0 HG21 ILE A 29 17.408 -1.583 -6.091 1.00 14.34 H new ATOM 0 HG22 ILE A 29 16.919 -0.000 -5.440 1.00 14.34 H new ATOM 0 HG23 ILE A 29 16.943 -1.429 -4.380 1.00 14.34 H new ATOM 0 HD11 ILE A 29 14.133 -4.443 -6.899 1.00 11.15 H new ATOM 0 HD12 ILE A 29 13.310 -2.869 -7.015 1.00 11.15 H new ATOM 0 HD13 ILE A 29 14.849 -3.134 -7.870 1.00 11.15 H new ATOM 462 N SER A 30 14.527 1.572 -3.855 1.00 53.24 N ATOM 463 CA SER A 30 14.646 3.025 -3.896 1.00 62.14 C ATOM 464 C SER A 30 15.866 3.492 -3.108 1.00 40.10 C ATOM 465 O SER A 30 16.099 3.051 -1.983 1.00 33.34 O ATOM 466 CB SER A 30 13.382 3.678 -3.335 1.00 75.13 C ATOM 467 OG SER A 30 12.231 3.252 -4.044 1.00 15.22 O ATOM 0 H SER A 30 14.495 1.178 -2.915 1.00 53.24 H new ATOM 0 HA SER A 30 14.770 3.325 -4.936 1.00 62.14 H new ATOM 0 HB2 SER A 30 13.277 3.427 -2.280 1.00 75.13 H new ATOM 0 HB3 SER A 30 13.471 4.763 -3.397 1.00 75.13 H new ATOM 0 HG SER A 30 12.479 3.026 -4.965 1.00 15.22 H new ATOM 473 N VAL A 31 16.643 4.389 -3.708 1.00 33.21 N ATOM 474 CA VAL A 31 17.839 4.918 -3.063 1.00 75.20 C ATOM 475 C VAL A 31 17.641 6.371 -2.647 1.00 44.34 C ATOM 476 O VAL A 31 17.802 7.286 -3.456 1.00 70.21 O ATOM 477 CB VAL A 31 19.065 4.822 -3.990 1.00 11.21 C ATOM 478 CG1 VAL A 31 18.738 5.378 -5.368 1.00 32.44 C ATOM 479 CG2 VAL A 31 20.252 5.552 -3.380 1.00 13.54 C ATOM 0 H VAL A 31 16.465 4.764 -4.640 1.00 33.21 H new ATOM 0 HA VAL A 31 18.016 4.310 -2.176 1.00 75.20 H new ATOM 0 HB VAL A 31 19.332 3.771 -4.103 1.00 11.21 H new ATOM 0 HG11 VAL A 31 19.616 5.302 -6.009 1.00 32.44 H new ATOM 0 HG12 VAL A 31 17.919 4.807 -5.806 1.00 32.44 H new ATOM 0 HG13 VAL A 31 18.444 6.424 -5.278 1.00 32.44 H new ATOM 0 HG21 VAL A 31 21.110 5.474 -4.048 1.00 13.54 H new ATOM 0 HG22 VAL A 31 19.998 6.602 -3.236 1.00 13.54 H new ATOM 0 HG23 VAL A 31 20.500 5.103 -2.418 1.00 13.54 H new ATOM 489 N ILE A 32 17.293 6.577 -1.382 1.00 20.23 N ATOM 490 CA ILE A 32 17.076 7.920 -0.858 1.00 74.32 C ATOM 491 C ILE A 32 18.399 8.639 -0.623 1.00 45.12 C ATOM 492 O ILE A 32 19.293 8.116 0.042 1.00 64.40 O ATOM 493 CB ILE A 32 16.280 7.888 0.460 1.00 23.03 C ATOM 494 CG1 ILE A 32 15.057 6.980 0.322 1.00 71.34 C ATOM 495 CG2 ILE A 32 15.860 9.295 0.859 1.00 30.32 C ATOM 496 CD1 ILE A 32 15.149 5.712 1.142 1.00 42.20 C ATOM 0 H ILE A 32 17.155 5.831 -0.700 1.00 20.23 H new ATOM 0 HA ILE A 32 16.500 8.462 -1.608 1.00 74.32 H new ATOM 0 HB ILE A 32 16.921 7.485 1.244 1.00 23.03 H new ATOM 0 HG12 ILE A 32 14.168 7.534 0.623 1.00 71.34 H new ATOM 0 HG13 ILE A 32 14.928 6.716 -0.728 1.00 71.34 H new ATOM 0 HG21 ILE A 32 15.298 9.256 1.792 1.00 30.32 H new ATOM 0 HG22 ILE A 32 16.746 9.915 0.994 1.00 30.32 H new ATOM 0 HG23 ILE A 32 15.234 9.724 0.076 1.00 30.32 H new ATOM 0 HD11 ILE A 32 14.247 5.117 0.995 1.00 42.20 H new ATOM 0 HD12 ILE A 32 16.019 5.136 0.826 1.00 42.20 H new ATOM 0 HD13 ILE A 32 15.247 5.967 2.197 1.00 42.20 H new ATOM 508 N VAL A 33 18.518 9.844 -1.172 1.00 73.13 N ATOM 509 CA VAL A 33 19.731 10.638 -1.020 1.00 62.43 C ATOM 510 C VAL A 33 19.425 11.998 -0.404 1.00 33.34 C ATOM 511 O VAL A 33 18.556 12.727 -0.882 1.00 75.31 O ATOM 512 CB VAL A 33 20.438 10.847 -2.373 1.00 20.03 C ATOM 513 CG1 VAL A 33 21.813 11.465 -2.167 1.00 34.10 C ATOM 514 CG2 VAL A 33 20.544 9.530 -3.128 1.00 12.55 C ATOM 0 H VAL A 33 17.788 10.292 -1.726 1.00 73.13 H new ATOM 0 HA VAL A 33 20.392 10.082 -0.355 1.00 62.43 H new ATOM 0 HB VAL A 33 19.842 11.536 -2.972 1.00 20.03 H new ATOM 0 HG11 VAL A 33 22.297 11.605 -3.133 1.00 34.10 H new ATOM 0 HG12 VAL A 33 21.708 12.430 -1.671 1.00 34.10 H new ATOM 0 HG13 VAL A 33 22.420 10.803 -1.549 1.00 34.10 H new ATOM 0 HG21 VAL A 33 21.046 9.696 -4.081 1.00 12.55 H new ATOM 0 HG22 VAL A 33 21.117 8.816 -2.536 1.00 12.55 H new ATOM 0 HG23 VAL A 33 19.545 9.133 -3.308 1.00 12.55 H new ATOM 524 N PHE A 34 20.145 12.334 0.662 1.00 74.04 N ATOM 525 CA PHE A 34 19.950 13.607 1.345 1.00 15.22 C ATOM 526 C PHE A 34 20.849 14.687 0.751 1.00 62.01 C ATOM 527 O PHE A 34 22.071 14.537 0.701 1.00 35.35 O ATOM 528 CB PHE A 34 20.235 13.456 2.841 1.00 53.21 C ATOM 529 CG PHE A 34 20.409 14.767 3.553 1.00 12.03 C ATOM 530 CD1 PHE A 34 19.612 15.855 3.235 1.00 63.04 C ATOM 531 CD2 PHE A 34 21.369 14.911 4.541 1.00 4.33 C ATOM 532 CE1 PHE A 34 19.770 17.063 3.888 1.00 34.45 C ATOM 533 CE2 PHE A 34 21.531 16.116 5.199 1.00 40.11 C ATOM 534 CZ PHE A 34 20.731 17.193 4.871 1.00 1.42 C ATOM 0 H PHE A 34 20.868 11.742 1.071 1.00 74.04 H new ATOM 0 HA PHE A 34 18.911 13.909 1.208 1.00 15.22 H new ATOM 0 HB2 PHE A 34 19.417 12.905 3.305 1.00 53.21 H new ATOM 0 HB3 PHE A 34 21.137 12.858 2.972 1.00 53.21 H new ATOM 0 HD1 PHE A 34 18.858 15.758 2.468 1.00 63.04 H new ATOM 0 HD2 PHE A 34 21.998 14.072 4.800 1.00 4.33 H new ATOM 0 HE1 PHE A 34 19.143 17.904 3.630 1.00 34.45 H new ATOM 0 HE2 PHE A 34 22.282 16.215 5.969 1.00 40.11 H new ATOM 0 HZ PHE A 34 20.857 18.136 5.383 1.00 1.42 H new ATOM 544 N THR A 35 20.236 15.777 0.300 1.00 45.14 N ATOM 545 CA THR A 35 20.980 16.882 -0.293 1.00 71.30 C ATOM 546 C THR A 35 20.090 18.105 -0.481 1.00 2.22 C ATOM 547 O THR A 35 18.924 17.985 -0.857 1.00 13.31 O ATOM 548 CB THR A 35 21.584 16.486 -1.654 1.00 13.41 C ATOM 549 OG1 THR A 35 20.944 15.305 -2.149 1.00 71.11 O ATOM 550 CG2 THR A 35 23.081 16.246 -1.532 1.00 72.52 C ATOM 0 H THR A 35 19.226 15.918 0.334 1.00 45.14 H new ATOM 0 HA THR A 35 21.788 17.126 0.397 1.00 71.30 H new ATOM 0 HB THR A 35 21.420 17.307 -2.352 1.00 13.41 H new ATOM 0 HG1 THR A 35 21.612 14.720 -2.563 1.00 71.11 H new ATOM 0 HG21 THR A 35 23.485 15.968 -2.505 1.00 72.52 H new ATOM 0 HG22 THR A 35 23.568 17.157 -1.184 1.00 72.52 H new ATOM 0 HG23 THR A 35 23.264 15.441 -0.820 1.00 72.52 H new ATOM 558 N HIS A 36 20.648 19.283 -0.217 1.00 72.24 N ATOM 559 CA HIS A 36 19.904 20.530 -0.359 1.00 22.41 C ATOM 560 C HIS A 36 20.713 21.558 -1.144 1.00 54.11 C ATOM 561 O HIS A 36 21.941 21.500 -1.209 1.00 13.34 O ATOM 562 CB HIS A 36 19.542 21.091 1.016 1.00 34.33 C ATOM 563 CG HIS A 36 20.676 21.060 1.994 1.00 41.53 C ATOM 564 ND1 HIS A 36 20.577 20.489 3.245 1.00 73.14 N ATOM 565 CD2 HIS A 36 21.940 21.534 1.897 1.00 5.04 C ATOM 566 CE1 HIS A 36 21.730 20.614 3.876 1.00 23.22 C ATOM 567 NE2 HIS A 36 22.575 21.244 3.080 1.00 1.12 N ATOM 0 H HIS A 36 21.612 19.400 0.096 1.00 72.24 H new ATOM 0 HA HIS A 36 18.987 20.318 -0.909 1.00 22.41 H new ATOM 0 HB2 HIS A 36 19.201 22.120 0.901 1.00 34.33 H new ATOM 0 HB3 HIS A 36 18.707 20.521 1.423 1.00 34.33 H new ATOM 0 HD1 HIS A 36 19.743 20.040 3.624 1.00 73.14 H new ATOM 0 HD2 HIS A 36 22.369 22.045 1.048 1.00 5.04 H new ATOM 0 HE1 HIS A 36 21.946 20.261 4.874 1.00 23.22 H new ATOM 575 N PRO A 37 20.009 22.522 -1.756 1.00 42.15 N ATOM 576 CA PRO A 37 20.641 23.581 -2.549 1.00 1.55 C ATOM 577 C PRO A 37 21.422 24.565 -1.683 1.00 72.13 C ATOM 578 O PRO A 37 20.968 25.681 -1.432 1.00 12.31 O ATOM 579 CB PRO A 37 19.454 24.281 -3.216 1.00 5.43 C ATOM 580 CG PRO A 37 18.300 24.014 -2.312 1.00 44.33 C ATOM 581 CD PRO A 37 18.543 22.653 -1.722 1.00 72.43 C ATOM 0 HA PRO A 37 21.370 23.182 -3.255 1.00 1.55 H new ATOM 0 HB2 PRO A 37 19.634 25.351 -3.323 1.00 5.43 H new ATOM 0 HB3 PRO A 37 19.273 23.887 -4.216 1.00 5.43 H new ATOM 0 HG2 PRO A 37 18.233 24.771 -1.531 1.00 44.33 H new ATOM 0 HG3 PRO A 37 17.359 24.039 -2.862 1.00 44.33 H new ATOM 0 HD2 PRO A 37 18.157 22.581 -0.705 1.00 72.43 H new ATOM 0 HD3 PRO A 37 18.056 21.870 -2.304 1.00 72.43 H new ATOM 589 N ASP A 38 22.598 24.144 -1.231 1.00 34.50 N ATOM 590 CA ASP A 38 23.442 24.988 -0.395 1.00 5.32 C ATOM 591 C ASP A 38 24.916 24.645 -0.589 1.00 61.11 C ATOM 592 O ASP A 38 25.632 24.372 0.374 1.00 4.20 O ATOM 593 CB ASP A 38 23.059 24.831 1.078 1.00 43.14 C ATOM 594 CG ASP A 38 23.507 26.009 1.921 1.00 30.41 C ATOM 595 OD1 ASP A 38 22.919 27.101 1.775 1.00 5.10 O ATOM 596 OD2 ASP A 38 24.444 25.837 2.728 1.00 3.41 O ATOM 0 H ASP A 38 22.988 23.223 -1.430 1.00 34.50 H new ATOM 0 HA ASP A 38 23.286 26.024 -0.694 1.00 5.32 H new ATOM 0 HB2 ASP A 38 21.978 24.720 1.159 1.00 43.14 H new ATOM 0 HB3 ASP A 38 23.504 23.917 1.471 1.00 43.14 H new ATOM 601 N SER A 39 25.362 24.659 -1.841 1.00 53.53 N ATOM 602 CA SER A 39 26.749 24.345 -2.163 1.00 32.12 C ATOM 603 C SER A 39 26.995 24.446 -3.665 1.00 52.30 C ATOM 604 O SER A 39 26.594 23.571 -4.433 1.00 13.24 O ATOM 605 CB SER A 39 27.103 22.940 -1.670 1.00 54.33 C ATOM 606 OG SER A 39 28.399 22.912 -1.098 1.00 15.04 O ATOM 0 H SER A 39 24.782 24.885 -2.649 1.00 53.53 H new ATOM 0 HA SER A 39 27.387 25.071 -1.659 1.00 32.12 H new ATOM 0 HB2 SER A 39 26.369 22.614 -0.932 1.00 54.33 H new ATOM 0 HB3 SER A 39 27.054 22.236 -2.501 1.00 54.33 H new ATOM 0 HG SER A 39 28.434 22.225 -0.400 1.00 15.04 H new ATOM 612 N LYS A 40 27.657 25.521 -4.078 1.00 44.33 N ATOM 613 CA LYS A 40 27.960 25.739 -5.488 1.00 15.51 C ATOM 614 C LYS A 40 29.177 24.926 -5.916 1.00 1.24 C ATOM 615 O LYS A 40 29.129 24.190 -6.901 1.00 55.45 O ATOM 616 CB LYS A 40 28.207 27.226 -5.754 1.00 1.25 C ATOM 617 CG LYS A 40 26.948 27.999 -6.107 1.00 61.31 C ATOM 618 CD LYS A 40 26.558 28.966 -5.002 1.00 25.01 C ATOM 619 CE LYS A 40 25.255 29.682 -5.321 1.00 71.53 C ATOM 620 NZ LYS A 40 25.234 31.067 -4.775 1.00 21.30 N ATOM 0 H LYS A 40 27.994 26.256 -3.456 1.00 44.33 H new ATOM 0 HA LYS A 40 27.101 25.409 -6.073 1.00 15.51 H new ATOM 0 HB2 LYS A 40 28.662 27.674 -4.871 1.00 1.25 H new ATOM 0 HB3 LYS A 40 28.925 27.326 -6.568 1.00 1.25 H new ATOM 0 HG2 LYS A 40 27.106 28.550 -7.034 1.00 61.31 H new ATOM 0 HG3 LYS A 40 26.130 27.301 -6.286 1.00 61.31 H new ATOM 0 HD2 LYS A 40 26.455 28.424 -4.062 1.00 25.01 H new ATOM 0 HD3 LYS A 40 27.352 29.699 -4.862 1.00 25.01 H new ATOM 0 HE2 LYS A 40 25.114 29.716 -6.401 1.00 71.53 H new ATOM 0 HE3 LYS A 40 24.420 29.116 -4.908 1.00 71.53 H new ATOM 0 HZ1 LYS A 40 24.329 31.521 -5.014 1.00 21.30 H new ATOM 0 HZ2 LYS A 40 25.343 31.034 -3.741 1.00 21.30 H new ATOM 0 HZ3 LYS A 40 26.016 31.615 -5.188 1.00 21.30 H new ATOM 634 N ARG A 41 30.267 25.063 -5.167 1.00 71.14 N ATOM 635 CA ARG A 41 31.497 24.340 -5.469 1.00 54.45 C ATOM 636 C ARG A 41 31.299 22.837 -5.301 1.00 22.24 C ATOM 637 O ARG A 41 31.905 22.037 -6.014 1.00 11.11 O ATOM 638 CB ARG A 41 32.632 24.821 -4.564 1.00 14.53 C ATOM 639 CG ARG A 41 33.727 25.570 -5.305 1.00 51.32 C ATOM 640 CD ARG A 41 35.016 25.614 -4.499 1.00 54.22 C ATOM 641 NE ARG A 41 35.553 24.279 -4.253 1.00 61.31 N ATOM 642 CZ ARG A 41 36.417 24.001 -3.283 1.00 14.34 C ATOM 643 NH1 ARG A 41 36.838 24.962 -2.471 1.00 72.51 N ATOM 644 NH2 ARG A 41 36.860 22.761 -3.122 1.00 1.11 N ATOM 0 H ARG A 41 30.323 25.668 -4.347 1.00 71.14 H new ATOM 0 HA ARG A 41 31.761 24.540 -6.507 1.00 54.45 H new ATOM 0 HB2 ARG A 41 32.219 25.470 -3.791 1.00 14.53 H new ATOM 0 HB3 ARG A 41 33.071 23.961 -4.058 1.00 14.53 H new ATOM 0 HG2 ARG A 41 33.913 25.088 -6.265 1.00 51.32 H new ATOM 0 HG3 ARG A 41 33.395 26.586 -5.517 1.00 51.32 H new ATOM 0 HD2 ARG A 41 35.757 26.210 -5.032 1.00 54.22 H new ATOM 0 HD3 ARG A 41 34.831 26.112 -3.547 1.00 54.22 H new ATOM 0 HE ARG A 41 35.248 23.518 -4.859 1.00 61.31 H new ATOM 0 HH11 ARG A 41 36.498 25.916 -2.591 1.00 72.51 H new ATOM 0 HH12 ARG A 41 37.501 24.747 -1.727 1.00 72.51 H new ATOM 0 HH21 ARG A 41 36.537 22.019 -3.744 1.00 1.11 H new ATOM 0 HH22 ARG A 41 37.523 22.549 -2.377 1.00 1.11 H new ATOM 658 N SER A 42 30.448 22.460 -4.352 1.00 22.33 N ATOM 659 CA SER A 42 30.174 21.052 -4.086 1.00 2.41 C ATOM 660 C SER A 42 29.057 20.537 -4.988 1.00 61.40 C ATOM 661 O SER A 42 28.663 21.198 -5.949 1.00 0.23 O ATOM 662 CB SER A 42 29.792 20.854 -2.618 1.00 22.32 C ATOM 663 OG SER A 42 30.579 21.673 -1.771 1.00 2.13 O ATOM 0 H SER A 42 29.936 23.109 -3.755 1.00 22.33 H new ATOM 0 HA SER A 42 31.080 20.484 -4.298 1.00 2.41 H new ATOM 0 HB2 SER A 42 28.737 21.089 -2.479 1.00 22.32 H new ATOM 0 HB3 SER A 42 29.924 19.808 -2.343 1.00 22.32 H new ATOM 0 HG SER A 42 30.056 22.454 -1.493 1.00 2.13 H new ATOM 669 N LYS A 43 28.550 19.350 -4.672 1.00 23.22 N ATOM 670 CA LYS A 43 27.478 18.743 -5.451 1.00 54.10 C ATOM 671 C LYS A 43 27.951 18.413 -6.863 1.00 73.11 C ATOM 672 O LYS A 43 27.142 18.153 -7.753 1.00 15.10 O ATOM 673 CB LYS A 43 26.270 19.682 -5.513 1.00 24.44 C ATOM 674 CG LYS A 43 24.999 19.075 -4.946 1.00 33.34 C ATOM 675 CD LYS A 43 23.777 19.486 -5.751 1.00 5.02 C ATOM 676 CE LYS A 43 22.732 20.158 -4.874 1.00 3.41 C ATOM 677 NZ LYS A 43 21.407 20.233 -5.549 1.00 10.22 N ATOM 0 H LYS A 43 28.865 18.789 -3.881 1.00 23.22 H new ATOM 0 HA LYS A 43 27.185 17.816 -4.959 1.00 54.10 H new ATOM 0 HB2 LYS A 43 26.502 20.596 -4.966 1.00 24.44 H new ATOM 0 HB3 LYS A 43 26.095 19.968 -6.550 1.00 24.44 H new ATOM 0 HG2 LYS A 43 25.084 17.988 -4.942 1.00 33.34 H new ATOM 0 HG3 LYS A 43 24.876 19.389 -3.910 1.00 33.34 H new ATOM 0 HD2 LYS A 43 24.077 20.167 -6.548 1.00 5.02 H new ATOM 0 HD3 LYS A 43 23.342 18.608 -6.229 1.00 5.02 H new ATOM 0 HE2 LYS A 43 22.633 19.606 -3.939 1.00 3.41 H new ATOM 0 HE3 LYS A 43 23.066 21.163 -4.617 1.00 3.41 H new ATOM 0 HZ1 LYS A 43 20.722 20.697 -4.919 1.00 10.22 H new ATOM 0 HZ2 LYS A 43 21.496 20.781 -6.428 1.00 10.22 H new ATOM 0 HZ3 LYS A 43 21.076 19.273 -5.772 1.00 10.22 H new ATOM 691 N GLU A 44 29.265 18.424 -7.060 1.00 24.33 N ATOM 692 CA GLU A 44 29.844 18.124 -8.364 1.00 45.41 C ATOM 693 C GLU A 44 29.819 16.624 -8.639 1.00 60.33 C ATOM 694 O GLU A 44 29.612 16.194 -9.774 1.00 74.34 O ATOM 695 CB GLU A 44 31.282 18.644 -8.440 1.00 32.40 C ATOM 696 CG GLU A 44 31.378 20.156 -8.545 1.00 52.41 C ATOM 697 CD GLU A 44 30.870 20.682 -9.874 1.00 11.34 C ATOM 698 OE1 GLU A 44 29.973 21.551 -9.863 1.00 75.10 O ATOM 699 OE2 GLU A 44 31.369 20.226 -10.923 1.00 70.50 O ATOM 0 H GLU A 44 29.949 18.637 -6.334 1.00 24.33 H new ATOM 0 HA GLU A 44 29.243 18.625 -9.123 1.00 45.41 H new ATOM 0 HB2 GLU A 44 31.826 18.315 -7.555 1.00 32.40 H new ATOM 0 HB3 GLU A 44 31.776 18.196 -9.302 1.00 32.40 H new ATOM 0 HG2 GLU A 44 30.805 20.610 -7.736 1.00 52.41 H new ATOM 0 HG3 GLU A 44 32.416 20.461 -8.411 1.00 52.41 H new ATOM 706 N ILE A 45 30.032 15.833 -7.593 1.00 71.32 N ATOM 707 CA ILE A 45 30.033 14.381 -7.722 1.00 31.34 C ATOM 708 C ILE A 45 28.641 13.858 -8.060 1.00 31.24 C ATOM 709 O ILE A 45 28.476 12.697 -8.434 1.00 74.34 O ATOM 710 CB ILE A 45 30.524 13.702 -6.430 1.00 24.44 C ATOM 711 CG1 ILE A 45 29.654 14.123 -5.243 1.00 64.45 C ATOM 712 CG2 ILE A 45 31.984 14.047 -6.172 1.00 34.30 C ATOM 713 CD1 ILE A 45 28.420 13.267 -5.066 1.00 30.53 C ATOM 0 H ILE A 45 30.206 16.173 -6.647 1.00 71.32 H new ATOM 0 HA ILE A 45 30.717 14.137 -8.534 1.00 31.34 H new ATOM 0 HB ILE A 45 30.442 12.622 -6.551 1.00 24.44 H new ATOM 0 HG12 ILE A 45 30.251 14.079 -4.332 1.00 64.45 H new ATOM 0 HG13 ILE A 45 29.350 15.161 -5.376 1.00 64.45 H new ATOM 0 HG21 ILE A 45 32.317 13.560 -5.255 1.00 34.30 H new ATOM 0 HG22 ILE A 45 32.593 13.702 -7.008 1.00 34.30 H new ATOM 0 HG23 ILE A 45 32.090 15.127 -6.068 1.00 34.30 H new ATOM 0 HD11 ILE A 45 27.851 13.622 -4.207 1.00 30.53 H new ATOM 0 HD12 ILE A 45 27.802 13.330 -5.962 1.00 30.53 H new ATOM 0 HD13 ILE A 45 28.716 12.231 -4.902 1.00 30.53 H new ATOM 725 N LYS A 46 27.641 14.723 -7.926 1.00 44.02 N ATOM 726 CA LYS A 46 26.263 14.351 -8.220 1.00 55.12 C ATOM 727 C LYS A 46 26.165 13.645 -9.569 1.00 0.32 C ATOM 728 O LYS A 46 25.500 12.617 -9.694 1.00 42.53 O ATOM 729 CB LYS A 46 25.366 15.591 -8.216 1.00 1.52 C ATOM 730 CG LYS A 46 25.153 16.183 -6.833 1.00 41.11 C ATOM 731 CD LYS A 46 24.272 15.291 -5.975 1.00 11.23 C ATOM 732 CE LYS A 46 24.555 15.487 -4.493 1.00 43.53 C ATOM 733 NZ LYS A 46 24.798 14.193 -3.799 1.00 24.22 N ATOM 0 H LYS A 46 27.760 15.687 -7.615 1.00 44.02 H new ATOM 0 HA LYS A 46 25.926 13.663 -7.444 1.00 55.12 H new ATOM 0 HB2 LYS A 46 25.806 16.350 -8.863 1.00 1.52 H new ATOM 0 HB3 LYS A 46 24.398 15.330 -8.644 1.00 1.52 H new ATOM 0 HG2 LYS A 46 26.117 16.323 -6.344 1.00 41.11 H new ATOM 0 HG3 LYS A 46 24.696 17.168 -6.924 1.00 41.11 H new ATOM 0 HD2 LYS A 46 23.224 15.510 -6.178 1.00 11.23 H new ATOM 0 HD3 LYS A 46 24.438 14.248 -6.243 1.00 11.23 H new ATOM 0 HE2 LYS A 46 25.425 16.133 -4.372 1.00 43.53 H new ATOM 0 HE3 LYS A 46 23.712 15.996 -4.027 1.00 43.53 H new ATOM 0 HZ1 LYS A 46 24.835 14.352 -2.772 1.00 24.22 H new ATOM 0 HZ2 LYS A 46 24.027 13.531 -4.019 1.00 24.22 H new ATOM 0 HZ3 LYS A 46 25.702 13.791 -4.120 1.00 24.22 H new ATOM 747 N GLU A 47 26.833 14.203 -10.574 1.00 0.44 N ATOM 748 CA GLU A 47 26.821 13.626 -11.912 1.00 60.43 C ATOM 749 C GLU A 47 27.142 12.134 -11.864 1.00 53.52 C ATOM 750 O GLU A 47 26.596 11.345 -12.636 1.00 24.13 O ATOM 751 CB GLU A 47 27.827 14.346 -12.812 1.00 4.11 C ATOM 752 CG GLU A 47 27.455 14.320 -14.285 1.00 12.22 C ATOM 753 CD GLU A 47 27.666 15.660 -14.964 1.00 21.44 C ATOM 754 OE1 GLU A 47 28.832 16.096 -15.063 1.00 41.11 O ATOM 755 OE2 GLU A 47 26.667 16.271 -15.395 1.00 14.11 O ATOM 0 H GLU A 47 27.389 15.054 -10.486 1.00 0.44 H new ATOM 0 HA GLU A 47 25.820 13.752 -12.325 1.00 60.43 H new ATOM 0 HB2 GLU A 47 27.916 15.383 -12.487 1.00 4.11 H new ATOM 0 HB3 GLU A 47 28.808 13.887 -12.686 1.00 4.11 H new ATOM 0 HG2 GLU A 47 28.051 13.562 -14.793 1.00 12.22 H new ATOM 0 HG3 GLU A 47 26.410 14.026 -14.387 1.00 12.22 H new ATOM 762 N LYS A 48 28.031 11.756 -10.953 1.00 21.24 N ATOM 763 CA LYS A 48 28.426 10.360 -10.801 1.00 53.33 C ATOM 764 C LYS A 48 27.204 9.467 -10.613 1.00 31.24 C ATOM 765 O LYS A 48 27.054 8.451 -11.294 1.00 14.35 O ATOM 766 CB LYS A 48 29.374 10.203 -9.611 1.00 3.33 C ATOM 767 CG LYS A 48 30.583 11.122 -9.670 1.00 75.35 C ATOM 768 CD LYS A 48 31.882 10.334 -9.683 1.00 32.12 C ATOM 769 CE LYS A 48 32.205 9.814 -11.075 1.00 44.43 C ATOM 770 NZ LYS A 48 33.251 8.754 -11.043 1.00 12.43 N ATOM 0 H LYS A 48 28.493 12.397 -10.308 1.00 21.24 H new ATOM 0 HA LYS A 48 28.942 10.053 -11.711 1.00 53.33 H new ATOM 0 HB2 LYS A 48 28.824 10.399 -8.691 1.00 3.33 H new ATOM 0 HB3 LYS A 48 29.716 9.169 -9.564 1.00 3.33 H new ATOM 0 HG2 LYS A 48 30.525 11.744 -10.563 1.00 75.35 H new ATOM 0 HG3 LYS A 48 30.573 11.794 -8.812 1.00 75.35 H new ATOM 0 HD2 LYS A 48 32.697 10.968 -9.332 1.00 32.12 H new ATOM 0 HD3 LYS A 48 31.808 9.497 -8.989 1.00 32.12 H new ATOM 0 HE2 LYS A 48 31.299 9.417 -11.533 1.00 44.43 H new ATOM 0 HE3 LYS A 48 32.544 10.639 -11.701 1.00 44.43 H new ATOM 0 HZ1 LYS A 48 33.443 8.426 -12.011 1.00 12.43 H new ATOM 0 HZ2 LYS A 48 34.124 9.140 -10.629 1.00 12.43 H new ATOM 0 HZ3 LYS A 48 32.918 7.955 -10.466 1.00 12.43 H new ATOM 784 N LEU A 49 26.333 9.851 -9.686 1.00 40.21 N ATOM 785 CA LEU A 49 25.123 9.085 -9.409 1.00 53.41 C ATOM 786 C LEU A 49 24.137 9.187 -10.568 1.00 53.14 C ATOM 787 O LEU A 49 23.410 8.238 -10.865 1.00 1.40 O ATOM 788 CB LEU A 49 24.465 9.582 -8.120 1.00 61.03 C ATOM 789 CG LEU A 49 23.357 8.698 -7.548 1.00 74.45 C ATOM 790 CD1 LEU A 49 23.929 7.380 -7.050 1.00 32.21 C ATOM 791 CD2 LEU A 49 22.622 9.420 -6.428 1.00 43.14 C ATOM 0 H LEU A 49 26.442 10.688 -9.114 1.00 40.21 H new ATOM 0 HA LEU A 49 25.405 8.039 -9.286 1.00 53.41 H new ATOM 0 HB2 LEU A 49 25.239 9.696 -7.361 1.00 61.03 H new ATOM 0 HB3 LEU A 49 24.052 10.573 -8.306 1.00 61.03 H new ATOM 0 HG LEU A 49 22.644 8.483 -8.344 1.00 74.45 H new ATOM 0 HD11 LEU A 49 23.125 6.764 -6.646 1.00 32.21 H new ATOM 0 HD12 LEU A 49 24.408 6.856 -7.877 1.00 32.21 H new ATOM 0 HD13 LEU A 49 24.664 7.574 -6.269 1.00 32.21 H new ATOM 0 HD21 LEU A 49 21.837 8.775 -6.033 1.00 43.14 H new ATOM 0 HD22 LEU A 49 23.324 9.666 -5.631 1.00 43.14 H new ATOM 0 HD23 LEU A 49 22.178 10.337 -6.816 1.00 43.14 H new ATOM 803 N LYS A 50 24.118 10.343 -11.223 1.00 11.44 N ATOM 804 CA LYS A 50 23.224 10.569 -12.352 1.00 43.44 C ATOM 805 C LYS A 50 23.558 9.630 -13.507 1.00 31.45 C ATOM 806 O LYS A 50 22.665 9.112 -14.178 1.00 12.23 O ATOM 807 CB LYS A 50 23.319 12.023 -12.821 1.00 12.31 C ATOM 808 CG LYS A 50 22.330 12.374 -13.919 1.00 34.02 C ATOM 809 CD LYS A 50 22.960 12.256 -15.296 1.00 44.42 C ATOM 810 CE LYS A 50 21.905 12.207 -16.390 1.00 71.12 C ATOM 811 NZ LYS A 50 20.978 13.370 -16.320 1.00 1.41 N ATOM 0 H LYS A 50 24.712 11.139 -10.991 1.00 11.44 H new ATOM 0 HA LYS A 50 22.205 10.365 -12.023 1.00 43.44 H new ATOM 0 HB2 LYS A 50 23.152 12.682 -11.969 1.00 12.31 H new ATOM 0 HB3 LYS A 50 24.330 12.215 -13.180 1.00 12.31 H new ATOM 0 HG2 LYS A 50 21.465 11.713 -13.856 1.00 34.02 H new ATOM 0 HG3 LYS A 50 21.966 13.391 -13.770 1.00 34.02 H new ATOM 0 HD2 LYS A 50 23.624 13.103 -15.467 1.00 44.42 H new ATOM 0 HD3 LYS A 50 23.574 11.356 -15.340 1.00 44.42 H new ATOM 0 HE2 LYS A 50 22.393 12.190 -17.364 1.00 71.12 H new ATOM 0 HE3 LYS A 50 21.335 11.282 -16.303 1.00 71.12 H new ATOM 0 HZ1 LYS A 50 20.408 13.412 -17.189 1.00 1.41 H new ATOM 0 HZ2 LYS A 50 20.349 13.264 -15.498 1.00 1.41 H new ATOM 0 HZ3 LYS A 50 21.528 14.247 -16.224 1.00 1.41 H new ATOM 825 N LYS A 51 24.849 9.412 -13.732 1.00 22.43 N ATOM 826 CA LYS A 51 25.302 8.532 -14.803 1.00 33.23 C ATOM 827 C LYS A 51 24.986 7.075 -14.480 1.00 24.33 C ATOM 828 O LYS A 51 24.667 6.286 -15.370 1.00 71.11 O ATOM 829 CB LYS A 51 26.806 8.701 -15.029 1.00 12.24 C ATOM 830 CG LYS A 51 27.163 9.928 -15.849 1.00 2.41 C ATOM 831 CD LYS A 51 28.638 9.944 -16.215 1.00 52.32 C ATOM 832 CE LYS A 51 29.054 11.288 -16.793 1.00 41.13 C ATOM 833 NZ LYS A 51 30.533 11.402 -16.924 1.00 22.43 N ATOM 0 H LYS A 51 25.601 9.833 -13.186 1.00 22.43 H new ATOM 0 HA LYS A 51 24.771 8.807 -15.714 1.00 33.23 H new ATOM 0 HB2 LYS A 51 27.306 8.762 -14.062 1.00 12.24 H new ATOM 0 HB3 LYS A 51 27.192 7.814 -15.531 1.00 12.24 H new ATOM 0 HG2 LYS A 51 26.561 9.947 -16.758 1.00 2.41 H new ATOM 0 HG3 LYS A 51 26.917 10.828 -15.285 1.00 2.41 H new ATOM 0 HD2 LYS A 51 29.236 9.727 -15.330 1.00 52.32 H new ATOM 0 HD3 LYS A 51 28.843 9.156 -16.940 1.00 52.32 H new ATOM 0 HE2 LYS A 51 28.592 11.421 -17.771 1.00 41.13 H new ATOM 0 HE3 LYS A 51 28.683 12.089 -16.153 1.00 41.13 H new ATOM 0 HZ1 LYS A 51 30.776 12.332 -17.321 1.00 22.43 H new ATOM 0 HZ2 LYS A 51 30.973 11.300 -15.987 1.00 22.43 H new ATOM 0 HZ3 LYS A 51 30.884 10.654 -17.555 1.00 22.43 H new ATOM 847 N LEU A 52 25.077 6.724 -13.202 1.00 14.14 N ATOM 848 CA LEU A 52 24.799 5.361 -12.761 1.00 2.43 C ATOM 849 C LEU A 52 23.426 4.903 -13.241 1.00 21.41 C ATOM 850 O LEU A 52 23.203 3.714 -13.471 1.00 2.41 O ATOM 851 CB LEU A 52 24.875 5.273 -11.235 1.00 74.44 C ATOM 852 CG LEU A 52 24.560 3.906 -10.626 1.00 61.23 C ATOM 853 CD1 LEU A 52 25.368 3.689 -9.356 1.00 15.11 C ATOM 854 CD2 LEU A 52 23.071 3.779 -10.342 1.00 74.50 C ATOM 0 H LEU A 52 25.341 7.364 -12.453 1.00 14.14 H new ATOM 0 HA LEU A 52 25.552 4.704 -13.195 1.00 2.43 H new ATOM 0 HB2 LEU A 52 25.878 5.565 -10.924 1.00 74.44 H new ATOM 0 HB3 LEU A 52 24.185 6.004 -10.814 1.00 74.44 H new ATOM 0 HG LEU A 52 24.839 3.136 -11.345 1.00 61.23 H new ATOM 0 HD11 LEU A 52 25.131 2.711 -8.937 1.00 15.11 H new ATOM 0 HD12 LEU A 52 26.432 3.736 -9.589 1.00 15.11 H new ATOM 0 HD13 LEU A 52 25.121 4.464 -8.631 1.00 15.11 H new ATOM 0 HD21 LEU A 52 22.865 2.800 -9.909 1.00 74.50 H new ATOM 0 HD22 LEU A 52 22.767 4.557 -9.642 1.00 74.50 H new ATOM 0 HD23 LEU A 52 22.513 3.889 -11.272 1.00 74.50 H new ATOM 866 N ALA A 53 22.510 5.853 -13.392 1.00 53.20 N ATOM 867 CA ALA A 53 21.160 5.547 -13.849 1.00 51.22 C ATOM 868 C ALA A 53 21.183 4.877 -15.219 1.00 12.03 C ATOM 869 O ALA A 53 20.216 4.229 -15.618 1.00 40.24 O ATOM 870 CB ALA A 53 20.318 6.814 -13.893 1.00 71.22 C ATOM 0 H ALA A 53 22.678 6.841 -13.205 1.00 53.20 H new ATOM 0 HA ALA A 53 20.712 4.850 -13.140 1.00 51.22 H new ATOM 0 HB1 ALA A 53 19.312 6.571 -14.236 1.00 71.22 H new ATOM 0 HB2 ALA A 53 20.266 7.251 -12.896 1.00 71.22 H new ATOM 0 HB3 ALA A 53 20.772 7.529 -14.579 1.00 71.22 H new ATOM 876 N GLU A 54 22.292 5.038 -15.933 1.00 4.20 N ATOM 877 CA GLU A 54 22.439 4.449 -17.259 1.00 11.22 C ATOM 878 C GLU A 54 22.836 2.979 -17.160 1.00 52.02 C ATOM 879 O GLU A 54 22.280 2.128 -17.853 1.00 53.14 O ATOM 880 CB GLU A 54 23.484 5.218 -18.070 1.00 22.31 C ATOM 881 CG GLU A 54 23.695 4.666 -19.470 1.00 32.42 C ATOM 882 CD GLU A 54 25.041 3.988 -19.633 1.00 63.31 C ATOM 883 OE1 GLU A 54 25.074 2.741 -19.693 1.00 74.43 O ATOM 884 OE2 GLU A 54 26.062 4.703 -19.700 1.00 43.55 O ATOM 0 H GLU A 54 23.102 5.571 -15.616 1.00 4.20 H new ATOM 0 HA GLU A 54 21.477 4.514 -17.766 1.00 11.22 H new ATOM 0 HB2 GLU A 54 23.179 6.262 -18.142 1.00 22.31 H new ATOM 0 HB3 GLU A 54 24.433 5.199 -17.534 1.00 22.31 H new ATOM 0 HG2 GLU A 54 22.903 3.953 -19.698 1.00 32.42 H new ATOM 0 HG3 GLU A 54 23.611 5.477 -20.193 1.00 32.42 H new ATOM 891 N GLU A 55 23.802 2.690 -16.294 1.00 32.32 N ATOM 892 CA GLU A 55 24.274 1.323 -16.106 1.00 1.03 C ATOM 893 C GLU A 55 23.134 0.409 -15.667 1.00 74.35 C ATOM 894 O GLU A 55 23.134 -0.787 -15.961 1.00 12.01 O ATOM 895 CB GLU A 55 25.399 1.287 -15.069 1.00 33.42 C ATOM 896 CG GLU A 55 24.916 0.997 -13.657 1.00 62.35 C ATOM 897 CD GLU A 55 25.962 1.314 -12.607 1.00 2.14 C ATOM 898 OE1 GLU A 55 27.023 1.863 -12.973 1.00 14.02 O ATOM 899 OE2 GLU A 55 25.721 1.014 -11.419 1.00 21.31 O ATOM 0 H GLU A 55 24.273 3.383 -15.712 1.00 32.32 H new ATOM 0 HA GLU A 55 24.657 0.964 -17.061 1.00 1.03 H new ATOM 0 HB2 GLU A 55 26.125 0.527 -15.359 1.00 33.42 H new ATOM 0 HB3 GLU A 55 25.920 2.245 -15.077 1.00 33.42 H new ATOM 0 HG2 GLU A 55 24.017 1.581 -13.457 1.00 62.35 H new ATOM 0 HG3 GLU A 55 24.637 -0.054 -13.581 1.00 62.35 H new ATOM 906 N PHE A 56 22.163 0.980 -14.963 1.00 13.14 N ATOM 907 CA PHE A 56 21.017 0.217 -14.482 1.00 15.42 C ATOM 908 C PHE A 56 19.872 1.146 -14.087 1.00 51.24 C ATOM 909 O PHE A 56 19.646 1.429 -12.911 1.00 11.13 O ATOM 910 CB PHE A 56 21.419 -0.650 -13.287 1.00 60.25 C ATOM 911 CG PHE A 56 20.487 -1.803 -13.043 1.00 3.54 C ATOM 912 CD1 PHE A 56 20.124 -2.649 -14.078 1.00 20.05 C ATOM 913 CD2 PHE A 56 19.974 -2.039 -11.777 1.00 42.23 C ATOM 914 CE1 PHE A 56 19.267 -3.711 -13.855 1.00 41.45 C ATOM 915 CE2 PHE A 56 19.117 -3.099 -11.549 1.00 43.12 C ATOM 916 CZ PHE A 56 18.762 -3.935 -12.590 1.00 23.13 C ATOM 0 H PHE A 56 22.146 1.969 -14.713 1.00 13.14 H new ATOM 0 HA PHE A 56 20.676 -0.428 -15.292 1.00 15.42 H new ATOM 0 HB2 PHE A 56 22.426 -1.035 -13.450 1.00 60.25 H new ATOM 0 HB3 PHE A 56 21.456 -0.028 -12.393 1.00 60.25 H new ATOM 0 HD1 PHE A 56 20.515 -2.477 -15.070 1.00 20.05 H new ATOM 0 HD2 PHE A 56 20.247 -1.388 -10.960 1.00 42.23 H new ATOM 0 HE1 PHE A 56 18.993 -4.365 -14.670 1.00 41.45 H new ATOM 0 HE2 PHE A 56 18.725 -3.274 -10.558 1.00 43.12 H new ATOM 0 HZ PHE A 56 18.090 -4.762 -12.414 1.00 23.13 H new ATOM 926 N PRO A 57 19.132 1.633 -15.095 1.00 10.25 N ATOM 927 CA PRO A 57 17.998 2.537 -14.879 1.00 5.43 C ATOM 928 C PRO A 57 16.816 1.837 -14.218 1.00 52.05 C ATOM 929 O PRO A 57 15.840 2.479 -13.830 1.00 51.20 O ATOM 930 CB PRO A 57 17.630 2.989 -16.294 1.00 64.23 C ATOM 931 CG PRO A 57 18.110 1.890 -17.179 1.00 10.21 C ATOM 932 CD PRO A 57 19.345 1.338 -16.521 1.00 55.25 C ATOM 0 HA PRO A 57 18.253 3.357 -14.208 1.00 5.43 H new ATOM 0 HB2 PRO A 57 16.555 3.138 -16.395 1.00 64.23 H new ATOM 0 HB3 PRO A 57 18.108 3.936 -16.544 1.00 64.23 H new ATOM 0 HG2 PRO A 57 17.349 1.118 -17.290 1.00 10.21 H new ATOM 0 HG3 PRO A 57 18.334 2.263 -18.178 1.00 10.21 H new ATOM 0 HD2 PRO A 57 19.451 0.268 -16.699 1.00 55.25 H new ATOM 0 HD3 PRO A 57 20.249 1.815 -16.899 1.00 55.25 H new ATOM 940 N ASP A 58 16.910 0.518 -14.094 1.00 73.22 N ATOM 941 CA ASP A 58 15.848 -0.270 -13.479 1.00 54.21 C ATOM 942 C ASP A 58 15.554 0.224 -12.066 1.00 55.21 C ATOM 943 O ASP A 58 14.454 0.034 -11.547 1.00 33.32 O ATOM 944 CB ASP A 58 16.235 -1.749 -13.445 1.00 73.13 C ATOM 945 CG ASP A 58 15.738 -2.449 -12.196 1.00 21.15 C ATOM 946 OD1 ASP A 58 16.370 -2.282 -11.131 1.00 34.11 O ATOM 947 OD2 ASP A 58 14.718 -3.163 -12.282 1.00 35.21 O ATOM 0 H ASP A 58 17.711 -0.028 -14.411 1.00 73.22 H new ATOM 0 HA ASP A 58 14.947 -0.152 -14.081 1.00 54.21 H new ATOM 0 HB2 ASP A 58 15.828 -2.248 -14.324 1.00 73.13 H new ATOM 0 HB3 ASP A 58 17.320 -1.839 -13.501 1.00 73.13 H new ATOM 952 N VAL A 59 16.545 0.859 -11.448 1.00 53.12 N ATOM 953 CA VAL A 59 16.393 1.381 -10.095 1.00 74.42 C ATOM 954 C VAL A 59 16.005 2.855 -10.115 1.00 20.12 C ATOM 955 O VAL A 59 16.406 3.601 -11.008 1.00 61.03 O ATOM 956 CB VAL A 59 17.688 1.213 -9.280 1.00 25.40 C ATOM 957 CG1 VAL A 59 17.476 1.660 -7.842 1.00 25.44 C ATOM 958 CG2 VAL A 59 18.168 -0.230 -9.333 1.00 73.23 C ATOM 0 H VAL A 59 17.462 1.024 -11.863 1.00 53.12 H new ATOM 0 HA VAL A 59 15.598 0.806 -9.621 1.00 74.42 H new ATOM 0 HB VAL A 59 18.459 1.845 -9.722 1.00 25.40 H new ATOM 0 HG11 VAL A 59 18.402 1.534 -7.281 1.00 25.44 H new ATOM 0 HG12 VAL A 59 17.183 2.710 -7.827 1.00 25.44 H new ATOM 0 HG13 VAL A 59 16.691 1.057 -7.386 1.00 25.44 H new ATOM 0 HG21 VAL A 59 19.084 -0.330 -8.751 1.00 73.23 H new ATOM 0 HG22 VAL A 59 17.401 -0.884 -8.918 1.00 73.23 H new ATOM 0 HG23 VAL A 59 18.363 -0.511 -10.368 1.00 73.23 H new ATOM 968 N ASP A 60 15.223 3.269 -9.124 1.00 22.53 N ATOM 969 CA ASP A 60 14.782 4.655 -9.026 1.00 0.05 C ATOM 970 C ASP A 60 15.686 5.448 -8.086 1.00 74.41 C ATOM 971 O ASP A 60 15.950 5.025 -6.960 1.00 70.32 O ATOM 972 CB ASP A 60 13.335 4.719 -8.535 1.00 74.53 C ATOM 973 CG ASP A 60 13.168 4.135 -7.146 1.00 72.31 C ATOM 974 OD1 ASP A 60 12.724 2.972 -7.040 1.00 52.02 O ATOM 975 OD2 ASP A 60 13.482 4.840 -6.165 1.00 11.11 O ATOM 0 H ASP A 60 14.882 2.664 -8.377 1.00 22.53 H new ATOM 0 HA ASP A 60 14.841 5.100 -10.019 1.00 0.05 H new ATOM 0 HB2 ASP A 60 13.001 5.757 -8.532 1.00 74.53 H new ATOM 0 HB3 ASP A 60 12.694 4.180 -9.232 1.00 74.53 H new ATOM 980 N ILE A 61 16.157 6.597 -8.557 1.00 13.43 N ATOM 981 CA ILE A 61 17.030 7.448 -7.759 1.00 4.35 C ATOM 982 C ILE A 61 16.538 8.891 -7.754 1.00 12.41 C ATOM 983 O ILE A 61 16.580 9.576 -8.776 1.00 51.14 O ATOM 984 CB ILE A 61 18.479 7.414 -8.280 1.00 22.12 C ATOM 985 CG1 ILE A 61 18.933 5.968 -8.493 1.00 44.52 C ATOM 986 CG2 ILE A 61 19.408 8.129 -7.310 1.00 61.00 C ATOM 987 CD1 ILE A 61 19.159 5.614 -9.946 1.00 43.54 C ATOM 0 H ILE A 61 15.949 6.960 -9.487 1.00 13.43 H new ATOM 0 HA ILE A 61 17.008 7.056 -6.742 1.00 4.35 H new ATOM 0 HB ILE A 61 18.517 7.933 -9.238 1.00 22.12 H new ATOM 0 HG12 ILE A 61 19.856 5.800 -7.939 1.00 44.52 H new ATOM 0 HG13 ILE A 61 18.184 5.295 -8.076 1.00 44.52 H new ATOM 0 HG21 ILE A 61 20.428 8.096 -7.692 1.00 61.00 H new ATOM 0 HG22 ILE A 61 19.094 9.167 -7.203 1.00 61.00 H new ATOM 0 HG23 ILE A 61 19.369 7.636 -6.338 1.00 61.00 H new ATOM 0 HD11 ILE A 61 19.479 4.575 -10.022 1.00 43.54 H new ATOM 0 HD12 ILE A 61 18.231 5.750 -10.502 1.00 43.54 H new ATOM 0 HD13 ILE A 61 19.930 6.262 -10.363 1.00 43.54 H new ATOM 999 N TYR A 62 16.073 9.348 -6.597 1.00 13.15 N ATOM 1000 CA TYR A 62 15.571 10.710 -6.458 1.00 43.23 C ATOM 1001 C TYR A 62 16.308 11.452 -5.347 1.00 44.05 C ATOM 1002 O TYR A 62 17.043 10.850 -4.564 1.00 23.43 O ATOM 1003 CB TYR A 62 14.070 10.696 -6.168 1.00 55.31 C ATOM 1004 CG TYR A 62 13.723 10.163 -4.796 1.00 52.23 C ATOM 1005 CD1 TYR A 62 13.220 11.003 -3.810 1.00 1.01 C ATOM 1006 CD2 TYR A 62 13.899 8.820 -4.486 1.00 52.50 C ATOM 1007 CE1 TYR A 62 12.903 10.521 -2.555 1.00 34.31 C ATOM 1008 CE2 TYR A 62 13.583 8.329 -3.234 1.00 54.23 C ATOM 1009 CZ TYR A 62 13.085 9.183 -2.272 1.00 41.11 C ATOM 1010 OH TYR A 62 12.770 8.698 -1.024 1.00 23.15 O ATOM 0 H TYR A 62 16.033 8.795 -5.741 1.00 13.15 H new ATOM 0 HA TYR A 62 15.748 11.232 -7.398 1.00 43.23 H new ATOM 0 HB2 TYR A 62 13.681 11.710 -6.264 1.00 55.31 H new ATOM 0 HB3 TYR A 62 13.569 10.089 -6.922 1.00 55.31 H new ATOM 0 HD1 TYR A 62 13.074 12.051 -4.029 1.00 1.01 H new ATOM 0 HD2 TYR A 62 14.289 8.149 -5.237 1.00 52.50 H new ATOM 0 HE1 TYR A 62 12.515 11.188 -1.799 1.00 34.31 H new ATOM 0 HE2 TYR A 62 13.725 7.282 -3.010 1.00 54.23 H new ATOM 0 HH TYR A 62 12.726 7.719 -1.055 1.00 23.15 H new ATOM 1020 N LEU A 63 16.106 12.764 -5.286 1.00 23.51 N ATOM 1021 CA LEU A 63 16.750 13.590 -4.271 1.00 3.11 C ATOM 1022 C LEU A 63 15.741 14.053 -3.225 1.00 23.12 C ATOM 1023 O LEU A 63 14.557 14.214 -3.518 1.00 75.32 O ATOM 1024 CB LEU A 63 17.420 14.802 -4.921 1.00 71.14 C ATOM 1025 CG LEU A 63 18.794 14.555 -5.545 1.00 1.10 C ATOM 1026 CD1 LEU A 63 19.774 14.053 -4.496 1.00 11.01 C ATOM 1027 CD2 LEU A 63 18.688 13.565 -6.695 1.00 74.34 C ATOM 0 H LEU A 63 15.502 13.278 -5.927 1.00 23.51 H new ATOM 0 HA LEU A 63 17.509 12.986 -3.774 1.00 3.11 H new ATOM 0 HB2 LEU A 63 16.756 15.188 -5.695 1.00 71.14 H new ATOM 0 HB3 LEU A 63 17.520 15.584 -4.168 1.00 71.14 H new ATOM 0 HG LEU A 63 19.167 15.500 -5.939 1.00 1.10 H new ATOM 0 HD11 LEU A 63 20.746 13.883 -4.958 1.00 11.01 H new ATOM 0 HD12 LEU A 63 19.873 14.797 -3.705 1.00 11.01 H new ATOM 0 HD13 LEU A 63 19.406 13.119 -4.071 1.00 11.01 H new ATOM 0 HD21 LEU A 63 19.675 13.402 -7.127 1.00 74.34 H new ATOM 0 HD22 LEU A 63 18.293 12.619 -6.325 1.00 74.34 H new ATOM 0 HD23 LEU A 63 18.020 13.964 -7.458 1.00 74.34 H new ATOM 1039 N VAL A 64 16.219 14.268 -2.003 1.00 63.52 N ATOM 1040 CA VAL A 64 15.360 14.715 -0.914 1.00 0.42 C ATOM 1041 C VAL A 64 15.924 15.965 -0.247 1.00 40.12 C ATOM 1042 O VAL A 64 17.131 16.076 -0.034 1.00 4.14 O ATOM 1043 CB VAL A 64 15.183 13.615 0.150 1.00 55.44 C ATOM 1044 CG1 VAL A 64 14.177 14.050 1.205 1.00 5.23 C ATOM 1045 CG2 VAL A 64 14.753 12.310 -0.502 1.00 33.42 C ATOM 0 H VAL A 64 17.197 14.140 -1.743 1.00 63.52 H new ATOM 0 HA VAL A 64 14.389 14.946 -1.352 1.00 0.42 H new ATOM 0 HB VAL A 64 16.142 13.451 0.642 1.00 55.44 H new ATOM 0 HG11 VAL A 64 14.065 13.261 1.948 1.00 5.23 H new ATOM 0 HG12 VAL A 64 14.530 14.959 1.692 1.00 5.23 H new ATOM 0 HG13 VAL A 64 13.214 14.242 0.732 1.00 5.23 H new ATOM 0 HG21 VAL A 64 14.632 11.543 0.263 1.00 33.42 H new ATOM 0 HG22 VAL A 64 13.806 12.457 -1.021 1.00 33.42 H new ATOM 0 HG23 VAL A 64 15.512 11.993 -1.217 1.00 33.42 H new ATOM 1055 N ASP A 65 15.042 16.903 0.080 1.00 44.43 N ATOM 1056 CA ASP A 65 15.452 18.146 0.724 1.00 33.02 C ATOM 1057 C ASP A 65 14.960 18.197 2.167 1.00 12.33 C ATOM 1058 O ASP A 65 13.764 18.067 2.433 1.00 63.23 O ATOM 1059 CB ASP A 65 14.916 19.349 -0.053 1.00 41.24 C ATOM 1060 CG ASP A 65 13.609 19.047 -0.760 1.00 23.12 C ATOM 1061 OD1 ASP A 65 12.544 19.183 -0.122 1.00 22.33 O ATOM 1062 OD2 ASP A 65 13.651 18.675 -1.951 1.00 45.41 O ATOM 0 H ASP A 65 14.039 16.827 -0.090 1.00 44.43 H new ATOM 0 HA ASP A 65 16.541 18.182 0.728 1.00 33.02 H new ATOM 0 HB2 ASP A 65 14.770 20.184 0.632 1.00 41.24 H new ATOM 0 HB3 ASP A 65 15.658 19.664 -0.787 1.00 41.24 H new ATOM 1067 N THR A 66 15.890 18.387 3.098 1.00 40.30 N ATOM 1068 CA THR A 66 15.552 18.454 4.514 1.00 20.51 C ATOM 1069 C THR A 66 14.498 19.522 4.778 1.00 15.13 C ATOM 1070 O THR A 66 13.795 19.478 5.788 1.00 52.11 O ATOM 1071 CB THR A 66 16.794 18.751 5.375 1.00 64.51 C ATOM 1072 OG1 THR A 66 17.768 19.461 4.601 1.00 21.53 O ATOM 1073 CG2 THR A 66 17.404 17.463 5.908 1.00 32.30 C ATOM 0 H THR A 66 16.884 18.497 2.896 1.00 40.30 H new ATOM 0 HA THR A 66 15.153 17.478 4.790 1.00 20.51 H new ATOM 0 HB THR A 66 16.484 19.365 6.221 1.00 64.51 H new ATOM 0 HG1 THR A 66 18.480 19.786 5.190 1.00 21.53 H new ATOM 0 HG21 THR A 66 18.280 17.698 6.513 1.00 32.30 H new ATOM 0 HG22 THR A 66 16.670 16.939 6.520 1.00 32.30 H new ATOM 0 HG23 THR A 66 17.700 16.828 5.073 1.00 32.30 H new ATOM 1081 N SER A 67 14.392 20.481 3.864 1.00 12.42 N ATOM 1082 CA SER A 67 13.424 21.564 4.001 1.00 62.35 C ATOM 1083 C SER A 67 12.032 21.014 4.295 1.00 72.14 C ATOM 1084 O SER A 67 11.218 21.667 4.949 1.00 22.11 O ATOM 1085 CB SER A 67 13.392 22.411 2.727 1.00 72.32 C ATOM 1086 OG SER A 67 13.173 23.778 3.029 1.00 62.21 O ATOM 0 H SER A 67 14.964 20.531 3.021 1.00 12.42 H new ATOM 0 HA SER A 67 13.732 22.191 4.838 1.00 62.35 H new ATOM 0 HB2 SER A 67 14.334 22.300 2.189 1.00 72.32 H new ATOM 0 HB3 SER A 67 12.604 22.050 2.066 1.00 72.32 H new ATOM 0 HG SER A 67 13.159 24.298 2.199 1.00 62.21 H new ATOM 1092 N THR A 68 11.763 19.807 3.806 1.00 65.12 N ATOM 1093 CA THR A 68 10.470 19.168 4.014 1.00 2.11 C ATOM 1094 C THR A 68 10.551 18.107 5.105 1.00 34.33 C ATOM 1095 O THR A 68 9.567 17.833 5.792 1.00 42.41 O ATOM 1096 CB THR A 68 9.950 18.518 2.718 1.00 32.34 C ATOM 1097 OG1 THR A 68 11.016 17.833 2.051 1.00 10.14 O ATOM 1098 CG2 THR A 68 9.353 19.564 1.790 1.00 52.24 C ATOM 0 H THR A 68 12.425 19.252 3.263 1.00 65.12 H new ATOM 0 HA THR A 68 9.776 19.950 4.323 1.00 2.11 H new ATOM 0 HB THR A 68 9.170 17.804 2.983 1.00 32.34 H new ATOM 0 HG1 THR A 68 11.405 18.419 1.369 1.00 10.14 H new ATOM 0 HG21 THR A 68 8.993 19.081 0.882 1.00 52.24 H new ATOM 0 HG22 THR A 68 8.523 20.062 2.290 1.00 52.24 H new ATOM 0 HG23 THR A 68 10.115 20.299 1.532 1.00 52.24 H new ATOM 1106 N ASN A 69 11.729 17.512 5.260 1.00 60.20 N ATOM 1107 CA ASN A 69 11.937 16.480 6.269 1.00 64.51 C ATOM 1108 C ASN A 69 13.154 16.800 7.132 1.00 11.31 C ATOM 1109 O ASN A 69 14.160 16.091 7.118 1.00 3.23 O ATOM 1110 CB ASN A 69 12.117 15.114 5.602 1.00 10.22 C ATOM 1111 CG ASN A 69 13.313 15.078 4.671 1.00 5.31 C ATOM 1112 OD1 ASN A 69 13.402 15.862 3.726 1.00 42.11 O ATOM 1113 ND2 ASN A 69 14.241 14.165 4.935 1.00 40.41 N ATOM 0 H ASN A 69 12.554 17.727 4.700 1.00 60.20 H new ATOM 0 HA ASN A 69 11.056 16.451 6.910 1.00 64.51 H new ATOM 0 HB2 ASN A 69 12.235 14.350 6.371 1.00 10.22 H new ATOM 0 HB3 ASN A 69 11.216 14.865 5.041 1.00 10.22 H new ATOM 0 HD21 ASN A 69 15.069 14.093 4.343 1.00 40.41 H new ATOM 0 HD22 ASN A 69 14.126 13.536 5.729 1.00 40.41 H new ATOM 1120 N PRO A 70 13.061 17.894 7.903 1.00 52.34 N ATOM 1121 CA PRO A 70 14.144 18.334 8.788 1.00 74.44 C ATOM 1122 C PRO A 70 14.340 17.395 9.974 1.00 53.44 C ATOM 1123 O PRO A 70 15.466 17.027 10.305 1.00 40.01 O ATOM 1124 CB PRO A 70 13.674 19.710 9.266 1.00 22.33 C ATOM 1125 CG PRO A 70 12.189 19.664 9.153 1.00 24.25 C ATOM 1126 CD PRO A 70 11.891 18.786 7.969 1.00 0.24 C ATOM 0 HA PRO A 70 15.107 18.352 8.278 1.00 74.44 H new ATOM 0 HB2 PRO A 70 13.987 19.901 10.293 1.00 22.33 H new ATOM 0 HB3 PRO A 70 14.093 20.507 8.652 1.00 22.33 H new ATOM 0 HG2 PRO A 70 11.741 19.260 10.061 1.00 24.25 H new ATOM 0 HG3 PRO A 70 11.777 20.663 9.011 1.00 24.25 H new ATOM 0 HD2 PRO A 70 10.966 18.226 8.107 1.00 0.24 H new ATOM 0 HD3 PRO A 70 11.778 19.369 7.055 1.00 0.24 H new ATOM 1134 N GLU A 71 13.236 17.013 10.608 1.00 22.34 N ATOM 1135 CA GLU A 71 13.289 16.117 11.758 1.00 13.31 C ATOM 1136 C GLU A 71 13.983 14.807 11.396 1.00 12.32 C ATOM 1137 O GLU A 71 14.642 14.190 12.232 1.00 0.33 O ATOM 1138 CB GLU A 71 11.877 15.833 12.276 1.00 3.12 C ATOM 1139 CG GLU A 71 11.332 16.921 13.186 1.00 42.43 C ATOM 1140 CD GLU A 71 10.008 17.478 12.701 1.00 74.22 C ATOM 1141 OE1 GLU A 71 10.006 18.584 12.121 1.00 62.23 O ATOM 1142 OE2 GLU A 71 8.973 16.808 12.901 1.00 0.03 O ATOM 0 H GLU A 71 12.296 17.309 10.346 1.00 22.34 H new ATOM 0 HA GLU A 71 13.865 16.608 12.543 1.00 13.31 H new ATOM 0 HB2 GLU A 71 11.205 15.711 11.426 1.00 3.12 H new ATOM 0 HB3 GLU A 71 11.881 14.887 12.817 1.00 3.12 H new ATOM 0 HG2 GLU A 71 11.206 16.519 14.191 1.00 42.43 H new ATOM 0 HG3 GLU A 71 12.059 17.730 13.254 1.00 42.43 H new ATOM 1149 N ALA A 72 13.828 14.389 10.144 1.00 24.02 N ATOM 1150 CA ALA A 72 14.441 13.154 9.670 1.00 33.05 C ATOM 1151 C ALA A 72 15.934 13.129 9.977 1.00 22.24 C ATOM 1152 O ALA A 72 16.465 12.121 10.445 1.00 75.22 O ATOM 1153 CB ALA A 72 14.204 12.987 8.177 1.00 60.32 C ATOM 0 H ALA A 72 13.283 14.887 9.440 1.00 24.02 H new ATOM 0 HA ALA A 72 13.975 12.321 10.196 1.00 33.05 H new ATOM 0 HB1 ALA A 72 14.667 12.061 7.836 1.00 60.32 H new ATOM 0 HB2 ALA A 72 13.132 12.951 7.981 1.00 60.32 H new ATOM 0 HB3 ALA A 72 14.642 13.830 7.643 1.00 60.32 H new ATOM 1159 N ARG A 73 16.607 14.243 9.711 1.00 2.41 N ATOM 1160 CA ARG A 73 18.040 14.348 9.957 1.00 24.22 C ATOM 1161 C ARG A 73 18.369 14.005 11.407 1.00 24.32 C ATOM 1162 O ARG A 73 19.059 13.023 11.681 1.00 3.41 O ATOM 1163 CB ARG A 73 18.534 15.759 9.631 1.00 20.41 C ATOM 1164 CG ARG A 73 19.530 15.805 8.484 1.00 53.43 C ATOM 1165 CD ARG A 73 20.900 16.266 8.954 1.00 44.20 C ATOM 1166 NE ARG A 73 20.837 17.546 9.654 1.00 1.30 N ATOM 1167 CZ ARG A 73 21.895 18.144 10.190 1.00 25.11 C ATOM 1168 NH1 ARG A 73 23.093 17.580 10.106 1.00 15.21 N ATOM 1169 NH2 ARG A 73 21.758 19.308 10.811 1.00 14.33 N ATOM 0 H ARG A 73 16.183 15.086 9.325 1.00 2.41 H new ATOM 0 HA ARG A 73 18.547 13.634 9.308 1.00 24.22 H new ATOM 0 HB2 ARG A 73 17.678 16.386 9.383 1.00 20.41 H new ATOM 0 HB3 ARG A 73 18.996 16.188 10.520 1.00 20.41 H new ATOM 0 HG2 ARG A 73 19.613 14.816 8.033 1.00 53.43 H new ATOM 0 HG3 ARG A 73 19.164 16.479 7.710 1.00 53.43 H new ATOM 0 HD2 ARG A 73 21.329 15.512 9.615 1.00 44.20 H new ATOM 0 HD3 ARG A 73 21.567 16.355 8.096 1.00 44.20 H new ATOM 0 HE ARG A 73 19.930 18.006 9.736 1.00 1.30 H new ATOM 0 HH11 ARG A 73 23.203 16.685 9.629 1.00 15.21 H new ATOM 0 HH12 ARG A 73 23.904 18.041 10.518 1.00 15.21 H new ATOM 0 HH21 ARG A 73 20.839 19.745 10.878 1.00 14.33 H new ATOM 0 HH22 ARG A 73 22.572 19.766 11.222 1.00 14.33 H new ATOM 1183 N GLU A 74 17.871 14.821 12.331 1.00 61.22 N ATOM 1184 CA GLU A 74 18.114 14.604 13.752 1.00 32.42 C ATOM 1185 C GLU A 74 17.597 13.236 14.190 1.00 62.14 C ATOM 1186 O GLU A 74 18.084 12.659 15.162 1.00 70.01 O ATOM 1187 CB GLU A 74 17.445 15.702 14.580 1.00 14.53 C ATOM 1188 CG GLU A 74 18.266 16.147 15.779 1.00 32.20 C ATOM 1189 CD GLU A 74 17.730 17.415 16.416 1.00 61.54 C ATOM 1190 OE1 GLU A 74 16.549 17.421 16.821 1.00 72.32 O ATOM 1191 OE2 GLU A 74 18.491 18.400 16.508 1.00 23.13 O ATOM 0 H GLU A 74 17.297 15.638 12.121 1.00 61.22 H new ATOM 0 HA GLU A 74 19.191 14.637 13.919 1.00 32.42 H new ATOM 0 HB2 GLU A 74 17.256 16.564 13.940 1.00 14.53 H new ATOM 0 HB3 GLU A 74 16.476 15.344 14.927 1.00 14.53 H new ATOM 0 HG2 GLU A 74 18.279 15.349 16.522 1.00 32.20 H new ATOM 0 HG3 GLU A 74 19.298 16.310 15.468 1.00 32.20 H new ATOM 1198 N TRP A 75 16.609 12.724 13.465 1.00 13.51 N ATOM 1199 CA TRP A 75 16.025 11.425 13.778 1.00 0.03 C ATOM 1200 C TRP A 75 17.107 10.359 13.906 1.00 63.33 C ATOM 1201 O TRP A 75 17.001 9.448 14.728 1.00 41.31 O ATOM 1202 CB TRP A 75 15.019 11.022 12.699 1.00 33.43 C ATOM 1203 CG TRP A 75 13.993 10.040 13.181 1.00 41.43 C ATOM 1204 CD1 TRP A 75 12.781 10.330 13.739 1.00 74.34 C ATOM 1205 CD2 TRP A 75 14.092 8.612 13.148 1.00 13.53 C ATOM 1206 NE1 TRP A 75 12.119 9.167 14.055 1.00 4.41 N ATOM 1207 CE2 TRP A 75 12.902 8.100 13.702 1.00 1.11 C ATOM 1208 CE3 TRP A 75 15.068 7.717 12.704 1.00 72.23 C ATOM 1209 CZ2 TRP A 75 12.666 6.733 13.823 1.00 51.31 C ATOM 1210 CZ3 TRP A 75 14.832 6.361 12.825 1.00 60.44 C ATOM 1211 CH2 TRP A 75 13.639 5.879 13.380 1.00 51.24 C ATOM 0 H TRP A 75 16.196 13.189 12.656 1.00 13.51 H new ATOM 0 HA TRP A 75 15.508 11.507 14.734 1.00 0.03 H new ATOM 0 HB2 TRP A 75 14.513 11.915 12.332 1.00 33.43 H new ATOM 0 HB3 TRP A 75 15.556 10.590 11.854 1.00 33.43 H new ATOM 0 HD1 TRP A 75 12.399 11.326 13.907 1.00 74.34 H new ATOM 0 HE1 TRP A 75 11.195 9.108 14.483 1.00 4.41 H new ATOM 0 HE3 TRP A 75 15.990 8.078 12.274 1.00 72.23 H new ATOM 0 HZ2 TRP A 75 11.747 6.360 14.251 1.00 51.31 H new ATOM 0 HZ3 TRP A 75 15.580 5.660 12.486 1.00 60.44 H new ATOM 0 HH2 TRP A 75 13.485 4.813 13.460 1.00 51.24 H new ATOM 1222 N TYR A 76 18.148 10.477 13.088 1.00 15.13 N ATOM 1223 CA TYR A 76 19.248 9.521 13.109 1.00 44.33 C ATOM 1224 C TYR A 76 20.589 10.237 13.239 1.00 43.33 C ATOM 1225 O TYR A 76 21.648 9.617 13.147 1.00 11.45 O ATOM 1226 CB TYR A 76 19.234 8.668 11.839 1.00 22.14 C ATOM 1227 CG TYR A 76 20.178 7.488 11.892 1.00 22.04 C ATOM 1228 CD1 TYR A 76 21.056 7.228 10.847 1.00 1.31 C ATOM 1229 CD2 TYR A 76 20.192 6.632 12.987 1.00 53.41 C ATOM 1230 CE1 TYR A 76 21.920 6.151 10.891 1.00 51.04 C ATOM 1231 CE2 TYR A 76 21.053 5.554 13.040 1.00 61.32 C ATOM 1232 CZ TYR A 76 21.915 5.317 11.989 1.00 0.13 C ATOM 1233 OH TYR A 76 22.774 4.243 12.037 1.00 34.25 O ATOM 0 H TYR A 76 18.252 11.225 12.403 1.00 15.13 H new ATOM 0 HA TYR A 76 19.117 8.873 13.976 1.00 44.33 H new ATOM 0 HB2 TYR A 76 18.221 8.305 11.667 1.00 22.14 H new ATOM 0 HB3 TYR A 76 19.497 9.295 10.987 1.00 22.14 H new ATOM 0 HD1 TYR A 76 21.063 7.879 9.985 1.00 1.31 H new ATOM 0 HD2 TYR A 76 19.518 6.813 13.811 1.00 53.41 H new ATOM 0 HE1 TYR A 76 22.596 5.963 10.070 1.00 51.04 H new ATOM 0 HE2 TYR A 76 21.052 4.900 13.899 1.00 61.32 H new ATOM 0 HH TYR A 76 22.586 3.640 11.288 1.00 34.25 H new ATOM 1243 N ASN A 77 20.534 11.548 13.453 1.00 64.10 N ATOM 1244 CA ASN A 77 21.744 12.350 13.596 1.00 52.31 C ATOM 1245 C ASN A 77 22.705 12.097 12.438 1.00 33.13 C ATOM 1246 O ASN A 77 23.562 11.216 12.512 1.00 40.04 O ATOM 1247 CB ASN A 77 22.435 12.037 14.925 1.00 74.03 C ATOM 1248 CG ASN A 77 21.464 11.538 15.978 1.00 53.34 C ATOM 1249 OD1 ASN A 77 20.541 12.250 16.374 1.00 51.32 O ATOM 1250 ND2 ASN A 77 21.669 10.309 16.436 1.00 35.01 N ATOM 0 H ASN A 77 19.665 12.077 13.531 1.00 64.10 H new ATOM 0 HA ASN A 77 21.456 13.401 13.583 1.00 52.31 H new ATOM 0 HB2 ASN A 77 23.207 11.285 14.762 1.00 74.03 H new ATOM 0 HB3 ASN A 77 22.935 12.934 15.291 1.00 74.03 H new ATOM 0 HD21 ASN A 77 21.048 9.919 17.145 1.00 35.01 H new ATOM 0 HD22 ASN A 77 22.447 9.755 16.079 1.00 35.01 H new ATOM 1257 N ILE A 78 22.555 12.875 11.372 1.00 65.03 N ATOM 1258 CA ILE A 78 23.411 12.736 10.200 1.00 51.04 C ATOM 1259 C ILE A 78 24.485 13.818 10.172 1.00 63.22 C ATOM 1260 O ILE A 78 24.207 14.992 10.416 1.00 12.33 O ATOM 1261 CB ILE A 78 22.595 12.805 8.896 1.00 54.45 C ATOM 1262 CG1 ILE A 78 21.729 11.553 8.743 1.00 52.11 C ATOM 1263 CG2 ILE A 78 23.521 12.965 7.699 1.00 75.21 C ATOM 1264 CD1 ILE A 78 20.258 11.854 8.561 1.00 54.11 C ATOM 0 H ILE A 78 21.850 13.608 11.295 1.00 65.03 H new ATOM 0 HA ILE A 78 23.886 11.758 10.271 1.00 51.04 H new ATOM 0 HB ILE A 78 21.939 13.674 8.942 1.00 54.45 H new ATOM 0 HG12 ILE A 78 22.083 10.979 7.887 1.00 52.11 H new ATOM 0 HG13 ILE A 78 21.856 10.923 9.623 1.00 52.11 H new ATOM 0 HG21 ILE A 78 22.929 13.012 6.785 1.00 75.21 H new ATOM 0 HG22 ILE A 78 24.098 13.884 7.806 1.00 75.21 H new ATOM 0 HG23 ILE A 78 24.200 12.114 7.648 1.00 75.21 H new ATOM 0 HD11 ILE A 78 19.705 10.920 8.459 1.00 54.11 H new ATOM 0 HD12 ILE A 78 19.889 12.401 9.428 1.00 54.11 H new ATOM 0 HD13 ILE A 78 20.118 12.458 7.664 1.00 54.11 H new ATOM 1276 N THR A 79 25.716 13.415 9.870 1.00 32.44 N ATOM 1277 CA THR A 79 26.833 14.349 9.809 1.00 33.25 C ATOM 1278 C THR A 79 27.274 14.585 8.370 1.00 62.14 C ATOM 1279 O THR A 79 27.776 15.657 8.032 1.00 22.11 O ATOM 1280 CB THR A 79 28.036 13.840 10.626 1.00 14.34 C ATOM 1281 OG1 THR A 79 28.348 12.494 10.252 1.00 44.24 O ATOM 1282 CG2 THR A 79 27.742 13.902 12.118 1.00 74.33 C ATOM 0 H THR A 79 25.964 12.447 9.664 1.00 32.44 H new ATOM 0 HA THR A 79 26.483 15.288 10.238 1.00 33.25 H new ATOM 0 HB THR A 79 28.890 14.483 10.413 1.00 14.34 H new ATOM 0 HG1 THR A 79 29.115 12.179 10.775 1.00 44.24 H new ATOM 0 HG21 THR A 79 28.606 13.538 12.674 1.00 74.33 H new ATOM 0 HG22 THR A 79 27.534 14.933 12.405 1.00 74.33 H new ATOM 0 HG23 THR A 79 26.876 13.280 12.344 1.00 74.33 H new ATOM 1290 N SER A 80 27.083 13.577 7.524 1.00 2.12 N ATOM 1291 CA SER A 80 27.465 13.674 6.120 1.00 11.52 C ATOM 1292 C SER A 80 26.242 13.916 5.240 1.00 21.33 C ATOM 1293 O SER A 80 25.527 12.980 4.881 1.00 12.23 O ATOM 1294 CB SER A 80 28.184 12.399 5.676 1.00 53.24 C ATOM 1295 OG SER A 80 28.445 11.550 6.780 1.00 44.15 O ATOM 0 H SER A 80 26.666 12.684 7.787 1.00 2.12 H new ATOM 0 HA SER A 80 28.143 14.521 6.011 1.00 11.52 H new ATOM 0 HB2 SER A 80 27.575 11.871 4.943 1.00 53.24 H new ATOM 0 HB3 SER A 80 29.121 12.659 5.184 1.00 53.24 H new ATOM 0 HG SER A 80 28.903 10.741 6.470 1.00 44.15 H new ATOM 1301 N VAL A 81 26.008 15.178 4.896 1.00 2.21 N ATOM 1302 CA VAL A 81 24.873 15.544 4.057 1.00 1.35 C ATOM 1303 C VAL A 81 24.616 14.487 2.989 1.00 15.44 C ATOM 1304 O VAL A 81 23.534 13.905 2.905 1.00 40.11 O ATOM 1305 CB VAL A 81 25.097 16.906 3.373 1.00 31.12 C ATOM 1306 CG1 VAL A 81 23.925 17.837 3.641 1.00 15.30 C ATOM 1307 CG2 VAL A 81 26.402 17.530 3.843 1.00 23.23 C ATOM 0 H VAL A 81 26.589 15.965 5.185 1.00 2.21 H new ATOM 0 HA VAL A 81 24.004 15.613 4.712 1.00 1.35 H new ATOM 0 HB VAL A 81 25.164 16.746 2.297 1.00 31.12 H new ATOM 0 HG11 VAL A 81 24.101 18.794 3.150 1.00 15.30 H new ATOM 0 HG12 VAL A 81 23.010 17.392 3.251 1.00 15.30 H new ATOM 0 HG13 VAL A 81 23.823 17.993 4.715 1.00 15.30 H new ATOM 0 HG21 VAL A 81 26.544 18.491 3.350 1.00 23.23 H new ATOM 0 HG22 VAL A 81 26.367 17.678 4.922 1.00 23.23 H new ATOM 0 HG23 VAL A 81 27.232 16.869 3.594 1.00 23.23 H new ATOM 1317 N PRO A 82 25.632 14.232 2.153 1.00 63.52 N ATOM 1318 CA PRO A 82 25.541 13.242 1.075 1.00 52.42 C ATOM 1319 C PRO A 82 25.487 11.813 1.603 1.00 72.11 C ATOM 1320 O PRO A 82 26.481 11.087 1.563 1.00 75.54 O ATOM 1321 CB PRO A 82 26.826 13.469 0.275 1.00 24.14 C ATOM 1322 CG PRO A 82 27.781 14.061 1.254 1.00 42.35 C ATOM 1323 CD PRO A 82 26.950 14.888 2.195 1.00 32.22 C ATOM 0 HA PRO A 82 24.631 13.362 0.488 1.00 52.42 H new ATOM 0 HB2 PRO A 82 27.208 12.534 -0.135 1.00 24.14 H new ATOM 0 HB3 PRO A 82 26.655 14.140 -0.567 1.00 24.14 H new ATOM 0 HG2 PRO A 82 28.321 13.282 1.792 1.00 42.35 H new ATOM 0 HG3 PRO A 82 28.527 14.675 0.749 1.00 42.35 H new ATOM 0 HD2 PRO A 82 27.366 14.890 3.203 1.00 32.22 H new ATOM 0 HD3 PRO A 82 26.892 15.927 1.872 1.00 32.22 H new ATOM 1331 N THR A 83 24.319 11.413 2.098 1.00 4.31 N ATOM 1332 CA THR A 83 24.136 10.071 2.635 1.00 61.23 C ATOM 1333 C THR A 83 23.368 9.188 1.658 1.00 41.24 C ATOM 1334 O THR A 83 22.748 9.682 0.715 1.00 31.43 O ATOM 1335 CB THR A 83 23.386 10.101 3.980 1.00 43.11 C ATOM 1336 OG1 THR A 83 22.778 11.383 4.173 1.00 75.33 O ATOM 1337 CG2 THR A 83 24.332 9.805 5.134 1.00 64.33 C ATOM 0 H THR A 83 23.486 12.000 2.138 1.00 4.31 H new ATOM 0 HA THR A 83 25.131 9.655 2.792 1.00 61.23 H new ATOM 0 HB THR A 83 22.614 9.332 3.957 1.00 43.11 H new ATOM 0 HG1 THR A 83 23.470 12.046 4.375 1.00 75.33 H new ATOM 0 HG21 THR A 83 23.780 9.832 6.073 1.00 64.33 H new ATOM 0 HG22 THR A 83 24.772 8.817 5.000 1.00 64.33 H new ATOM 0 HG23 THR A 83 25.123 10.554 5.157 1.00 64.33 H new ATOM 1345 N PHE A 84 23.413 7.880 1.888 1.00 13.21 N ATOM 1346 CA PHE A 84 22.721 6.928 1.027 1.00 14.22 C ATOM 1347 C PHE A 84 21.897 5.946 1.855 1.00 73.14 C ATOM 1348 O PHE A 84 22.444 5.133 2.600 1.00 14.34 O ATOM 1349 CB PHE A 84 23.726 6.166 0.162 1.00 24.43 C ATOM 1350 CG PHE A 84 23.937 6.778 -1.193 1.00 4.22 C ATOM 1351 CD1 PHE A 84 22.866 6.995 -2.044 1.00 62.43 C ATOM 1352 CD2 PHE A 84 25.207 7.137 -1.615 1.00 43.21 C ATOM 1353 CE1 PHE A 84 23.057 7.559 -3.292 1.00 32.52 C ATOM 1354 CE2 PHE A 84 25.404 7.702 -2.861 1.00 60.32 C ATOM 1355 CZ PHE A 84 24.328 7.912 -3.701 1.00 73.51 C ATOM 0 H PHE A 84 23.921 7.455 2.663 1.00 13.21 H new ATOM 0 HA PHE A 84 22.045 7.486 0.379 1.00 14.22 H new ATOM 0 HB2 PHE A 84 24.682 6.121 0.684 1.00 24.43 H new ATOM 0 HB3 PHE A 84 23.382 5.139 0.038 1.00 24.43 H new ATOM 0 HD1 PHE A 84 21.870 6.720 -1.729 1.00 62.43 H new ATOM 0 HD2 PHE A 84 26.052 6.974 -0.963 1.00 43.21 H new ATOM 0 HE1 PHE A 84 22.213 7.723 -3.946 1.00 32.52 H new ATOM 0 HE2 PHE A 84 26.399 7.979 -3.178 1.00 60.32 H new ATOM 0 HZ PHE A 84 24.480 8.351 -4.676 1.00 73.51 H new ATOM 1365 N VAL A 85 20.577 6.027 1.718 1.00 50.34 N ATOM 1366 CA VAL A 85 19.676 5.146 2.451 1.00 3.22 C ATOM 1367 C VAL A 85 18.953 4.191 1.508 1.00 11.33 C ATOM 1368 O VAL A 85 18.442 4.601 0.465 1.00 4.13 O ATOM 1369 CB VAL A 85 18.633 5.949 3.251 1.00 41.34 C ATOM 1370 CG1 VAL A 85 17.856 5.034 4.185 1.00 53.35 C ATOM 1371 CG2 VAL A 85 19.306 7.071 4.028 1.00 71.34 C ATOM 0 H VAL A 85 20.108 6.694 1.106 1.00 50.34 H new ATOM 0 HA VAL A 85 20.290 4.571 3.144 1.00 3.22 H new ATOM 0 HB VAL A 85 17.928 6.396 2.550 1.00 41.34 H new ATOM 0 HG11 VAL A 85 17.124 5.619 4.742 1.00 53.35 H new ATOM 0 HG12 VAL A 85 17.342 4.270 3.602 1.00 53.35 H new ATOM 0 HG13 VAL A 85 18.544 4.556 4.882 1.00 53.35 H new ATOM 0 HG21 VAL A 85 18.554 7.628 4.587 1.00 71.34 H new ATOM 0 HG22 VAL A 85 20.034 6.648 4.720 1.00 71.34 H new ATOM 0 HG23 VAL A 85 19.812 7.742 3.334 1.00 71.34 H new ATOM 1381 N ILE A 86 18.913 2.917 1.882 1.00 35.11 N ATOM 1382 CA ILE A 86 18.250 1.904 1.070 1.00 31.23 C ATOM 1383 C ILE A 86 17.205 1.146 1.882 1.00 21.32 C ATOM 1384 O ILE A 86 17.484 0.675 2.984 1.00 33.23 O ATOM 1385 CB ILE A 86 19.261 0.898 0.489 1.00 22.03 C ATOM 1386 CG1 ILE A 86 20.651 1.532 0.401 1.00 53.24 C ATOM 1387 CG2 ILE A 86 18.804 0.418 -0.880 1.00 34.11 C ATOM 1388 CD1 ILE A 86 21.698 0.613 -0.189 1.00 12.32 C ATOM 0 H ILE A 86 19.332 2.562 2.742 1.00 35.11 H new ATOM 0 HA ILE A 86 17.759 2.428 0.250 1.00 31.23 H new ATOM 0 HB ILE A 86 19.317 0.036 1.154 1.00 22.03 H new ATOM 0 HG12 ILE A 86 20.591 2.437 -0.204 1.00 53.24 H new ATOM 0 HG13 ILE A 86 20.967 1.836 1.399 1.00 53.24 H new ATOM 0 HG21 ILE A 86 19.529 -0.292 -1.277 1.00 34.11 H new ATOM 0 HG22 ILE A 86 17.832 -0.068 -0.790 1.00 34.11 H new ATOM 0 HG23 ILE A 86 18.723 1.269 -1.556 1.00 34.11 H new ATOM 0 HD11 ILE A 86 22.658 1.128 -0.221 1.00 12.32 H new ATOM 0 HD12 ILE A 86 21.786 -0.281 0.428 1.00 12.32 H new ATOM 0 HD13 ILE A 86 21.405 0.329 -1.200 1.00 12.32 H new ATOM 1400 N GLU A 87 16.002 1.031 1.328 1.00 21.31 N ATOM 1401 CA GLU A 87 14.916 0.328 2.001 1.00 11.32 C ATOM 1402 C GLU A 87 14.450 -0.869 1.178 1.00 32.11 C ATOM 1403 O GLU A 87 14.837 -1.031 0.021 1.00 44.43 O ATOM 1404 CB GLU A 87 13.742 1.278 2.251 1.00 61.35 C ATOM 1405 CG GLU A 87 12.891 1.530 1.017 1.00 11.05 C ATOM 1406 CD GLU A 87 13.647 2.264 -0.073 1.00 13.20 C ATOM 1407 OE1 GLU A 87 14.206 1.590 -0.963 1.00 25.11 O ATOM 1408 OE2 GLU A 87 13.679 3.512 -0.037 1.00 31.24 O ATOM 0 H GLU A 87 15.755 1.415 0.416 1.00 21.31 H new ATOM 0 HA GLU A 87 15.290 -0.035 2.958 1.00 11.32 H new ATOM 0 HB2 GLU A 87 13.112 0.865 3.039 1.00 61.35 H new ATOM 0 HB3 GLU A 87 14.127 2.230 2.617 1.00 61.35 H new ATOM 0 HG2 GLU A 87 12.532 0.577 0.627 1.00 11.05 H new ATOM 0 HG3 GLU A 87 12.012 2.110 1.299 1.00 11.05 H new ATOM 1415 N LYS A 88 13.615 -1.707 1.784 1.00 65.21 N ATOM 1416 CA LYS A 88 13.095 -2.890 1.109 1.00 34.23 C ATOM 1417 C LYS A 88 11.950 -3.510 1.904 1.00 30.23 C ATOM 1418 O LYS A 88 12.064 -3.725 3.110 1.00 30.03 O ATOM 1419 CB LYS A 88 14.208 -3.921 0.910 1.00 42.21 C ATOM 1420 CG LYS A 88 14.038 -4.767 -0.340 1.00 55.40 C ATOM 1421 CD LYS A 88 14.466 -6.205 -0.103 1.00 2.02 C ATOM 1422 CE LYS A 88 13.323 -7.043 0.449 1.00 24.32 C ATOM 1423 NZ LYS A 88 13.772 -7.931 1.557 1.00 31.15 N ATOM 0 H LYS A 88 13.284 -1.588 2.742 1.00 65.21 H new ATOM 0 HA LYS A 88 12.714 -2.583 0.135 1.00 34.23 H new ATOM 0 HB2 LYS A 88 15.166 -3.404 0.861 1.00 42.21 H new ATOM 0 HB3 LYS A 88 14.244 -4.577 1.780 1.00 42.21 H new ATOM 0 HG2 LYS A 88 12.995 -4.744 -0.657 1.00 55.40 H new ATOM 0 HG3 LYS A 88 14.627 -4.340 -1.152 1.00 55.40 H new ATOM 0 HD2 LYS A 88 14.818 -6.640 -1.038 1.00 2.02 H new ATOM 0 HD3 LYS A 88 15.304 -6.226 0.594 1.00 2.02 H new ATOM 0 HE2 LYS A 88 12.531 -6.386 0.808 1.00 24.32 H new ATOM 0 HE3 LYS A 88 12.897 -7.648 -0.351 1.00 24.32 H new ATOM 0 HZ1 LYS A 88 12.965 -8.486 1.906 1.00 31.15 H new ATOM 0 HZ2 LYS A 88 14.510 -8.576 1.208 1.00 31.15 H new ATOM 0 HZ3 LYS A 88 14.156 -7.353 2.332 1.00 31.15 H new ATOM 1437 N GLY A 89 10.847 -3.797 1.220 1.00 72.24 N ATOM 1438 CA GLY A 89 9.698 -4.391 1.878 1.00 23.25 C ATOM 1439 C GLY A 89 9.124 -3.498 2.960 1.00 51.32 C ATOM 1440 O GLY A 89 8.348 -3.949 3.801 1.00 22.40 O ATOM 0 H GLY A 89 10.728 -3.629 0.221 1.00 72.24 H new ATOM 0 HA2 GLY A 89 8.927 -4.600 1.137 1.00 23.25 H new ATOM 0 HA3 GLY A 89 9.987 -5.347 2.315 1.00 23.25 H new ATOM 1444 N GLY A 90 9.507 -2.225 2.939 1.00 1.51 N ATOM 1445 CA GLY A 90 9.017 -1.286 3.931 1.00 33.04 C ATOM 1446 C GLY A 90 9.786 -1.366 5.235 1.00 32.12 C ATOM 1447 O GLY A 90 9.196 -1.541 6.301 1.00 70.23 O ATOM 0 H GLY A 90 10.148 -1.827 2.253 1.00 1.51 H new ATOM 0 HA2 GLY A 90 9.086 -0.273 3.534 1.00 33.04 H new ATOM 0 HA3 GLY A 90 7.962 -1.482 4.122 1.00 33.04 H new ATOM 1451 N GLU A 91 11.106 -1.239 5.150 1.00 25.33 N ATOM 1452 CA GLU A 91 11.957 -1.301 6.333 1.00 33.23 C ATOM 1453 C GLU A 91 13.416 -1.044 5.968 1.00 20.45 C ATOM 1454 O GLU A 91 13.837 -1.222 4.825 1.00 11.21 O ATOM 1455 CB GLU A 91 11.822 -2.665 7.015 1.00 42.44 C ATOM 1456 CG GLU A 91 11.065 -2.615 8.331 1.00 25.13 C ATOM 1457 CD GLU A 91 11.677 -3.513 9.390 1.00 52.34 C ATOM 1458 OE1 GLU A 91 11.924 -4.699 9.089 1.00 21.52 O ATOM 1459 OE2 GLU A 91 11.908 -3.029 10.517 1.00 34.04 O ATOM 0 H GLU A 91 11.610 -1.093 4.275 1.00 25.33 H new ATOM 0 HA GLU A 91 11.632 -0.524 7.024 1.00 33.23 H new ATOM 0 HB2 GLU A 91 11.313 -3.351 6.338 1.00 42.44 H new ATOM 0 HB3 GLU A 91 12.817 -3.073 7.193 1.00 42.44 H new ATOM 0 HG2 GLU A 91 11.047 -1.588 8.697 1.00 25.13 H new ATOM 0 HG3 GLU A 91 10.030 -2.912 8.162 1.00 25.13 H new ATOM 1466 N PRO A 92 14.207 -0.616 6.963 1.00 45.31 N ATOM 1467 CA PRO A 92 15.632 -0.325 6.772 1.00 15.00 C ATOM 1468 C PRO A 92 16.453 -1.586 6.530 1.00 23.52 C ATOM 1469 O PRO A 92 16.387 -2.541 7.306 1.00 72.35 O ATOM 1470 CB PRO A 92 16.039 0.334 8.092 1.00 21.12 C ATOM 1471 CG PRO A 92 15.067 -0.189 9.092 1.00 14.35 C ATOM 1472 CD PRO A 92 13.773 -0.382 8.350 1.00 21.35 C ATOM 0 HA PRO A 92 15.807 0.300 5.896 1.00 15.00 H new ATOM 0 HB2 PRO A 92 17.063 0.077 8.363 1.00 21.12 H new ATOM 0 HB3 PRO A 92 15.990 1.421 8.023 1.00 21.12 H new ATOM 0 HG2 PRO A 92 15.415 -1.129 9.520 1.00 14.35 H new ATOM 0 HG3 PRO A 92 14.942 0.511 9.918 1.00 14.35 H new ATOM 0 HD2 PRO A 92 13.207 -1.227 8.742 1.00 21.35 H new ATOM 0 HD3 PRO A 92 13.131 0.495 8.428 1.00 21.35 H new ATOM 1480 N LEU A 93 17.228 -1.584 5.451 1.00 20.31 N ATOM 1481 CA LEU A 93 18.064 -2.729 5.107 1.00 22.22 C ATOM 1482 C LEU A 93 19.542 -2.400 5.295 1.00 33.53 C ATOM 1483 O LEU A 93 20.325 -3.243 5.731 1.00 62.24 O ATOM 1484 CB LEU A 93 17.806 -3.159 3.662 1.00 14.10 C ATOM 1485 CG LEU A 93 18.440 -4.482 3.231 1.00 3.43 C ATOM 1486 CD1 LEU A 93 17.826 -5.643 3.997 1.00 13.10 C ATOM 1487 CD2 LEU A 93 18.282 -4.686 1.732 1.00 52.24 C ATOM 0 H LEU A 93 17.295 -0.802 4.799 1.00 20.31 H new ATOM 0 HA LEU A 93 17.805 -3.550 5.776 1.00 22.22 H new ATOM 0 HB2 LEU A 93 16.729 -3.230 3.512 1.00 14.10 H new ATOM 0 HB3 LEU A 93 18.169 -2.373 3.000 1.00 14.10 H new ATOM 0 HG LEU A 93 19.505 -4.444 3.462 1.00 3.43 H new ATOM 0 HD11 LEU A 93 18.290 -6.576 3.677 1.00 13.10 H new ATOM 0 HD12 LEU A 93 17.993 -5.503 5.065 1.00 13.10 H new ATOM 0 HD13 LEU A 93 16.755 -5.684 3.799 1.00 13.10 H new ATOM 0 HD21 LEU A 93 18.739 -5.632 1.443 1.00 52.24 H new ATOM 0 HD22 LEU A 93 17.222 -4.702 1.477 1.00 52.24 H new ATOM 0 HD23 LEU A 93 18.771 -3.870 1.200 1.00 52.24 H new ATOM 1499 N GLY A 94 19.915 -1.168 4.966 1.00 43.42 N ATOM 1500 CA GLY A 94 21.297 -0.748 5.107 1.00 24.44 C ATOM 1501 C GLY A 94 21.459 0.756 5.015 1.00 23.14 C ATOM 1502 O GLY A 94 20.485 1.480 4.812 1.00 21.43 O ATOM 0 H GLY A 94 19.285 -0.452 4.604 1.00 43.42 H new ATOM 0 HA2 GLY A 94 21.682 -1.094 6.066 1.00 24.44 H new ATOM 0 HA3 GLY A 94 21.899 -1.223 4.332 1.00 24.44 H new ATOM 1506 N GLU A 95 22.693 1.227 5.167 1.00 41.20 N ATOM 1507 CA GLU A 95 22.978 2.656 5.102 1.00 34.12 C ATOM 1508 C GLU A 95 24.480 2.908 5.004 1.00 75.42 C ATOM 1509 O GLU A 95 25.281 2.187 5.598 1.00 65.33 O ATOM 1510 CB GLU A 95 22.410 3.368 6.332 1.00 74.13 C ATOM 1511 CG GLU A 95 23.072 2.954 7.635 1.00 43.21 C ATOM 1512 CD GLU A 95 22.191 3.204 8.843 1.00 55.51 C ATOM 1513 OE1 GLU A 95 21.281 4.055 8.747 1.00 71.14 O ATOM 1514 OE2 GLU A 95 22.410 2.551 9.884 1.00 72.21 O ATOM 0 H GLU A 95 23.510 0.641 5.336 1.00 41.20 H new ATOM 0 HA GLU A 95 22.501 3.055 4.207 1.00 34.12 H new ATOM 0 HB2 GLU A 95 22.523 4.444 6.203 1.00 74.13 H new ATOM 0 HB3 GLU A 95 21.341 3.166 6.397 1.00 74.13 H new ATOM 0 HG2 GLU A 95 23.326 1.895 7.588 1.00 43.21 H new ATOM 0 HG3 GLU A 95 24.007 3.501 7.753 1.00 43.21 H new ATOM 1521 N VAL A 96 24.853 3.936 4.249 1.00 61.13 N ATOM 1522 CA VAL A 96 26.258 4.284 4.072 1.00 52.11 C ATOM 1523 C VAL A 96 26.498 5.762 4.358 1.00 12.21 C ATOM 1524 O VAL A 96 25.633 6.603 4.110 1.00 61.23 O ATOM 1525 CB VAL A 96 26.740 3.964 2.645 1.00 61.14 C ATOM 1526 CG1 VAL A 96 28.210 4.320 2.485 1.00 3.21 C ATOM 1527 CG2 VAL A 96 26.500 2.498 2.318 1.00 71.21 C ATOM 0 H VAL A 96 24.202 4.542 3.750 1.00 61.13 H new ATOM 0 HA VAL A 96 26.825 3.682 4.782 1.00 52.11 H new ATOM 0 HB VAL A 96 26.166 4.568 1.943 1.00 61.14 H new ATOM 0 HG11 VAL A 96 28.532 4.087 1.470 1.00 3.21 H new ATOM 0 HG12 VAL A 96 28.349 5.384 2.674 1.00 3.21 H new ATOM 0 HG13 VAL A 96 28.803 3.744 3.195 1.00 3.21 H new ATOM 0 HG21 VAL A 96 26.847 2.290 1.306 1.00 71.21 H new ATOM 0 HG22 VAL A 96 27.047 1.873 3.025 1.00 71.21 H new ATOM 0 HG23 VAL A 96 25.435 2.279 2.389 1.00 71.21 H new ATOM 1537 N LYS A 97 27.678 6.074 4.882 1.00 25.40 N ATOM 1538 CA LYS A 97 28.035 7.451 5.201 1.00 22.22 C ATOM 1539 C LYS A 97 29.409 7.801 4.639 1.00 3.23 C ATOM 1540 O LYS A 97 30.430 7.589 5.292 1.00 1.13 O ATOM 1541 CB LYS A 97 28.022 7.665 6.717 1.00 65.55 C ATOM 1542 CG LYS A 97 26.831 7.028 7.411 1.00 52.04 C ATOM 1543 CD LYS A 97 27.247 5.831 8.248 1.00 24.41 C ATOM 1544 CE LYS A 97 26.087 4.871 8.465 1.00 42.23 C ATOM 1545 NZ LYS A 97 24.923 5.544 9.105 1.00 24.04 N ATOM 0 H LYS A 97 28.405 5.391 5.095 1.00 25.40 H new ATOM 0 HA LYS A 97 27.296 8.107 4.741 1.00 22.22 H new ATOM 0 HB2 LYS A 97 28.940 7.257 7.141 1.00 65.55 H new ATOM 0 HB3 LYS A 97 28.023 8.735 6.924 1.00 65.55 H new ATOM 0 HG2 LYS A 97 26.343 7.766 8.047 1.00 52.04 H new ATOM 0 HG3 LYS A 97 26.099 6.715 6.666 1.00 52.04 H new ATOM 0 HD2 LYS A 97 28.066 5.308 7.754 1.00 24.41 H new ATOM 0 HD3 LYS A 97 27.623 6.173 9.212 1.00 24.41 H new ATOM 0 HE2 LYS A 97 25.781 4.449 7.508 1.00 42.23 H new ATOM 0 HE3 LYS A 97 26.415 4.040 9.090 1.00 42.23 H new ATOM 0 HZ1 LYS A 97 24.254 4.827 9.451 1.00 24.04 H new ATOM 0 HZ2 LYS A 97 25.253 6.123 9.903 1.00 24.04 H new ATOM 0 HZ3 LYS A 97 24.448 6.153 8.408 1.00 24.04 H new ATOM 1559 N GLY A 98 29.427 8.340 3.424 1.00 40.40 N ATOM 1560 CA GLY A 98 30.681 8.713 2.796 1.00 62.31 C ATOM 1561 C GLY A 98 30.617 8.636 1.283 1.00 2.43 C ATOM 1562 O GLY A 98 29.786 7.931 0.711 1.00 42.34 O ATOM 0 H GLY A 98 28.595 8.525 2.863 1.00 40.40 H new ATOM 0 HA2 GLY A 98 30.946 9.727 3.094 1.00 62.31 H new ATOM 0 HA3 GLY A 98 31.474 8.058 3.157 1.00 62.31 H new ATOM 1566 N PRO A 99 31.511 9.377 0.611 1.00 13.42 N ATOM 1567 CA PRO A 99 31.572 9.408 -0.853 1.00 53.51 C ATOM 1568 C PRO A 99 32.074 8.094 -1.440 1.00 73.24 C ATOM 1569 O PRO A 99 33.277 7.837 -1.472 1.00 23.40 O ATOM 1570 CB PRO A 99 32.564 10.537 -1.143 1.00 3.12 C ATOM 1571 CG PRO A 99 33.420 10.611 0.074 1.00 22.34 C ATOM 1572 CD PRO A 99 32.530 10.242 1.229 1.00 25.51 C ATOM 0 HA PRO A 99 30.589 9.561 -1.299 1.00 53.51 H new ATOM 0 HB2 PRO A 99 33.157 10.324 -2.032 1.00 3.12 H new ATOM 0 HB3 PRO A 99 32.049 11.481 -1.322 1.00 3.12 H new ATOM 0 HG2 PRO A 99 34.265 9.927 -0.001 1.00 22.34 H new ATOM 0 HG3 PRO A 99 33.831 11.613 0.202 1.00 22.34 H new ATOM 0 HD2 PRO A 99 33.081 9.719 2.010 1.00 25.51 H new ATOM 0 HD3 PRO A 99 32.083 11.123 1.690 1.00 25.51 H new ATOM 1580 N ASP A 100 31.145 7.266 -1.905 1.00 34.34 N ATOM 1581 CA ASP A 100 31.493 5.978 -2.493 1.00 23.43 C ATOM 1582 C ASP A 100 30.536 5.621 -3.626 1.00 24.30 C ATOM 1583 O ASP A 100 29.902 4.566 -3.606 1.00 75.11 O ATOM 1584 CB ASP A 100 31.470 4.883 -1.425 1.00 62.42 C ATOM 1585 CG ASP A 100 30.087 4.673 -0.840 1.00 43.24 C ATOM 1586 OD1 ASP A 100 29.897 3.680 -0.107 1.00 0.33 O ATOM 1587 OD2 ASP A 100 29.195 5.503 -1.116 1.00 24.45 O ATOM 0 H ASP A 100 30.145 7.464 -1.886 1.00 34.34 H new ATOM 0 HA ASP A 100 32.500 6.054 -2.903 1.00 23.43 H new ATOM 0 HB2 ASP A 100 31.823 3.948 -1.860 1.00 62.42 H new ATOM 0 HB3 ASP A 100 32.163 5.145 -0.626 1.00 62.42 H new ATOM 1592 N ILE A 101 30.438 6.507 -4.611 1.00 72.22 N ATOM 1593 CA ILE A 101 29.558 6.285 -5.752 1.00 64.23 C ATOM 1594 C ILE A 101 29.905 4.984 -6.468 1.00 72.33 C ATOM 1595 O ILE A 101 29.046 4.357 -7.089 1.00 51.11 O ATOM 1596 CB ILE A 101 29.637 7.448 -6.759 1.00 3.05 C ATOM 1597 CG1 ILE A 101 29.047 8.720 -6.148 1.00 13.53 C ATOM 1598 CG2 ILE A 101 28.911 7.085 -8.045 1.00 43.44 C ATOM 1599 CD1 ILE A 101 27.563 8.624 -5.869 1.00 1.52 C ATOM 0 H ILE A 101 30.957 7.385 -4.642 1.00 72.22 H new ATOM 0 HA ILE A 101 28.543 6.223 -5.360 1.00 64.23 H new ATOM 0 HB ILE A 101 30.684 7.634 -6.997 1.00 3.05 H new ATOM 0 HG12 ILE A 101 29.570 8.943 -5.218 1.00 13.53 H new ATOM 0 HG13 ILE A 101 29.228 9.556 -6.824 1.00 13.53 H new ATOM 0 HG21 ILE A 101 28.976 7.917 -8.747 1.00 43.44 H new ATOM 0 HG22 ILE A 101 29.372 6.201 -8.486 1.00 43.44 H new ATOM 0 HG23 ILE A 101 27.864 6.876 -7.825 1.00 43.44 H new ATOM 0 HD11 ILE A 101 27.213 9.561 -5.437 1.00 1.52 H new ATOM 0 HD12 ILE A 101 27.029 8.432 -6.800 1.00 1.52 H new ATOM 0 HD13 ILE A 101 27.376 7.810 -5.169 1.00 1.52 H new ATOM 1611 N ASP A 102 31.168 4.582 -6.376 1.00 12.30 N ATOM 1612 CA ASP A 102 31.628 3.354 -7.012 1.00 60.45 C ATOM 1613 C ASP A 102 31.211 2.132 -6.200 1.00 74.42 C ATOM 1614 O ASP A 102 30.666 1.169 -6.741 1.00 42.15 O ATOM 1615 CB ASP A 102 33.148 3.377 -7.176 1.00 45.53 C ATOM 1616 CG ASP A 102 33.582 3.098 -8.602 1.00 34.40 C ATOM 1617 OD1 ASP A 102 33.901 4.064 -9.326 1.00 52.10 O ATOM 1618 OD2 ASP A 102 33.602 1.912 -8.993 1.00 43.24 O ATOM 0 H ASP A 102 31.892 5.089 -5.867 1.00 12.30 H new ATOM 0 HA ASP A 102 31.165 3.289 -7.997 1.00 60.45 H new ATOM 0 HB2 ASP A 102 33.529 4.351 -6.868 1.00 45.53 H new ATOM 0 HB3 ASP A 102 33.593 2.636 -6.512 1.00 45.53 H new ATOM 1623 N LYS A 103 31.470 2.176 -4.898 1.00 4.31 N ATOM 1624 CA LYS A 103 31.122 1.074 -4.010 1.00 22.25 C ATOM 1625 C LYS A 103 29.609 0.937 -3.880 1.00 35.13 C ATOM 1626 O LYS A 103 29.101 -0.116 -3.491 1.00 22.03 O ATOM 1627 CB LYS A 103 31.746 1.288 -2.629 1.00 12.15 C ATOM 1628 CG LYS A 103 31.927 0.004 -1.837 1.00 45.34 C ATOM 1629 CD LYS A 103 33.229 0.012 -1.054 1.00 64.40 C ATOM 1630 CE LYS A 103 34.420 -0.301 -1.948 1.00 34.20 C ATOM 1631 NZ LYS A 103 34.969 -1.660 -1.685 1.00 2.14 N ATOM 0 H LYS A 103 31.921 2.965 -4.434 1.00 4.31 H new ATOM 0 HA LYS A 103 31.517 0.154 -4.442 1.00 22.25 H new ATOM 0 HB2 LYS A 103 32.716 1.771 -2.749 1.00 12.15 H new ATOM 0 HB3 LYS A 103 31.118 1.972 -2.058 1.00 12.15 H new ATOM 0 HG2 LYS A 103 31.089 -0.123 -1.151 1.00 45.34 H new ATOM 0 HG3 LYS A 103 31.915 -0.848 -2.516 1.00 45.34 H new ATOM 0 HD2 LYS A 103 33.369 0.988 -0.589 1.00 64.40 H new ATOM 0 HD3 LYS A 103 33.175 -0.721 -0.249 1.00 64.40 H new ATOM 0 HE2 LYS A 103 34.119 -0.227 -2.993 1.00 34.20 H new ATOM 0 HE3 LYS A 103 35.200 0.443 -1.787 1.00 34.20 H new ATOM 0 HZ1 LYS A 103 35.779 -1.835 -2.314 1.00 2.14 H new ATOM 0 HZ2 LYS A 103 35.280 -1.723 -0.695 1.00 2.14 H new ATOM 0 HZ3 LYS A 103 34.232 -2.372 -1.863 1.00 2.14 H new ATOM 1645 N LEU A 104 28.892 2.006 -4.209 1.00 1.01 N ATOM 1646 CA LEU A 104 27.435 2.005 -4.131 1.00 24.43 C ATOM 1647 C LEU A 104 26.842 0.930 -5.036 1.00 65.04 C ATOM 1648 O LEU A 104 25.701 0.509 -4.851 1.00 75.12 O ATOM 1649 CB LEU A 104 26.883 3.377 -4.519 1.00 52.02 C ATOM 1650 CG LEU A 104 25.363 3.531 -4.455 1.00 52.22 C ATOM 1651 CD1 LEU A 104 24.961 4.366 -3.249 1.00 43.11 C ATOM 1652 CD2 LEU A 104 24.836 4.157 -5.738 1.00 73.44 C ATOM 0 H LEU A 104 29.296 2.885 -4.532 1.00 1.01 H new ATOM 0 HA LEU A 104 27.151 1.784 -3.102 1.00 24.43 H new ATOM 0 HB2 LEU A 104 27.332 4.125 -3.866 1.00 52.02 H new ATOM 0 HB3 LEU A 104 27.209 3.604 -5.534 1.00 52.02 H new ATOM 0 HG LEU A 104 24.921 2.540 -4.349 1.00 52.22 H new ATOM 0 HD11 LEU A 104 23.876 4.465 -3.220 1.00 43.11 H new ATOM 0 HD12 LEU A 104 25.305 3.878 -2.337 1.00 43.11 H new ATOM 0 HD13 LEU A 104 25.413 5.355 -3.324 1.00 43.11 H new ATOM 0 HD21 LEU A 104 23.753 4.259 -5.675 1.00 73.44 H new ATOM 0 HD22 LEU A 104 25.286 5.140 -5.874 1.00 73.44 H new ATOM 0 HD23 LEU A 104 25.092 3.520 -6.585 1.00 73.44 H new ATOM 1664 N ARG A 105 27.627 0.489 -6.015 1.00 13.24 N ATOM 1665 CA ARG A 105 27.180 -0.537 -6.948 1.00 74.35 C ATOM 1666 C ARG A 105 27.206 -1.916 -6.295 1.00 15.35 C ATOM 1667 O ARG A 105 26.789 -2.905 -6.895 1.00 74.41 O ATOM 1668 CB ARG A 105 28.061 -0.538 -8.199 1.00 55.31 C ATOM 1669 CG ARG A 105 27.512 -1.393 -9.330 1.00 4.41 C ATOM 1670 CD ARG A 105 28.016 -0.916 -10.683 1.00 52.23 C ATOM 1671 NE ARG A 105 28.928 -1.877 -11.298 1.00 35.01 N ATOM 1672 CZ ARG A 105 30.217 -1.966 -10.992 1.00 21.10 C ATOM 1673 NH1 ARG A 105 30.744 -1.156 -10.084 1.00 32.32 N ATOM 1674 NH2 ARG A 105 30.983 -2.867 -11.595 1.00 15.13 N ATOM 0 H ARG A 105 28.575 0.827 -6.182 1.00 13.24 H new ATOM 0 HA ARG A 105 26.153 -0.309 -7.234 1.00 74.35 H new ATOM 0 HB2 ARG A 105 28.177 0.487 -8.553 1.00 55.31 H new ATOM 0 HB3 ARG A 105 29.055 -0.897 -7.933 1.00 55.31 H new ATOM 0 HG2 ARG A 105 27.804 -2.432 -9.177 1.00 4.41 H new ATOM 0 HG3 ARG A 105 26.423 -1.363 -9.315 1.00 4.41 H new ATOM 0 HD2 ARG A 105 27.168 -0.746 -11.346 1.00 52.23 H new ATOM 0 HD3 ARG A 105 28.524 0.041 -10.564 1.00 52.23 H new ATOM 0 HE ARG A 105 28.554 -2.515 -12.001 1.00 35.01 H new ATOM 0 HH11 ARG A 105 30.159 -0.462 -9.619 1.00 32.32 H new ATOM 0 HH12 ARG A 105 31.735 -1.227 -9.851 1.00 32.32 H new ATOM 0 HH21 ARG A 105 30.582 -3.492 -12.294 1.00 15.13 H new ATOM 0 HH22 ARG A 105 31.973 -2.934 -11.359 1.00 15.13 H new ATOM 1688 N GLU A 106 27.699 -1.971 -5.061 1.00 55.12 N ATOM 1689 CA GLU A 106 27.780 -3.228 -4.327 1.00 72.33 C ATOM 1690 C GLU A 106 26.724 -3.285 -3.227 1.00 74.43 C ATOM 1691 O GLU A 106 26.369 -4.362 -2.746 1.00 13.00 O ATOM 1692 CB GLU A 106 29.174 -3.401 -3.720 1.00 72.15 C ATOM 1693 CG GLU A 106 29.333 -2.737 -2.363 1.00 63.30 C ATOM 1694 CD GLU A 106 29.172 -3.713 -1.214 1.00 22.42 C ATOM 1695 OE1 GLU A 106 28.375 -3.423 -0.297 1.00 71.22 O ATOM 1696 OE2 GLU A 106 29.843 -4.766 -1.231 1.00 32.54 O ATOM 0 H GLU A 106 28.048 -1.160 -4.550 1.00 55.12 H new ATOM 0 HA GLU A 106 27.593 -4.041 -5.028 1.00 72.33 H new ATOM 0 HB2 GLU A 106 29.389 -4.465 -3.622 1.00 72.15 H new ATOM 0 HB3 GLU A 106 29.914 -2.988 -4.406 1.00 72.15 H new ATOM 0 HG2 GLU A 106 30.316 -2.271 -2.304 1.00 63.30 H new ATOM 0 HG3 GLU A 106 28.596 -1.940 -2.264 1.00 63.30 H new ATOM 1703 N THR A 107 26.225 -2.118 -2.833 1.00 14.02 N ATOM 1704 CA THR A 107 25.211 -2.034 -1.789 1.00 51.41 C ATOM 1705 C THR A 107 23.820 -2.309 -2.350 1.00 24.14 C ATOM 1706 O THR A 107 23.007 -2.983 -1.716 1.00 15.51 O ATOM 1707 CB THR A 107 25.215 -0.649 -1.113 1.00 75.51 C ATOM 1708 OG1 THR A 107 26.533 -0.092 -1.145 1.00 61.10 O ATOM 1709 CG2 THR A 107 24.735 -0.749 0.327 1.00 25.53 C ATOM 0 H THR A 107 26.506 -1.218 -3.221 1.00 14.02 H new ATOM 0 HA THR A 107 25.457 -2.794 -1.047 1.00 51.41 H new ATOM 0 HB THR A 107 24.534 0.001 -1.662 1.00 75.51 H new ATOM 0 HG1 THR A 107 26.526 0.789 -0.715 1.00 61.10 H new ATOM 0 HG21 THR A 107 24.746 0.241 0.784 1.00 25.53 H new ATOM 0 HG22 THR A 107 23.720 -1.146 0.345 1.00 25.53 H new ATOM 0 HG23 THR A 107 25.394 -1.414 0.885 1.00 25.53 H new ATOM 1717 N LEU A 108 23.554 -1.786 -3.541 1.00 15.30 N ATOM 1718 CA LEU A 108 22.260 -1.976 -4.188 1.00 60.21 C ATOM 1719 C LEU A 108 22.224 -3.293 -4.956 1.00 62.43 C ATOM 1720 O LEU A 108 21.155 -3.857 -5.193 1.00 4.22 O ATOM 1721 CB LEU A 108 21.965 -0.812 -5.135 1.00 41.14 C ATOM 1722 CG LEU A 108 22.448 -0.980 -6.576 1.00 63.24 C ATOM 1723 CD1 LEU A 108 21.384 -1.665 -7.420 1.00 22.44 C ATOM 1724 CD2 LEU A 108 22.819 0.369 -7.175 1.00 63.54 C ATOM 0 H LEU A 108 24.216 -1.227 -4.079 1.00 15.30 H new ATOM 0 HA LEU A 108 21.495 -2.008 -3.412 1.00 60.21 H new ATOM 0 HB2 LEU A 108 20.888 -0.647 -5.151 1.00 41.14 H new ATOM 0 HB3 LEU A 108 22.419 0.089 -4.723 1.00 41.14 H new ATOM 0 HG LEU A 108 23.338 -1.610 -6.569 1.00 63.24 H new ATOM 0 HD11 LEU A 108 21.746 -1.776 -8.442 1.00 22.44 H new ATOM 0 HD12 LEU A 108 21.167 -2.649 -7.003 1.00 22.44 H new ATOM 0 HD13 LEU A 108 20.476 -1.062 -7.420 1.00 22.44 H new ATOM 0 HD21 LEU A 108 23.161 0.230 -8.201 1.00 63.54 H new ATOM 0 HD22 LEU A 108 21.947 1.022 -7.168 1.00 63.54 H new ATOM 0 HD23 LEU A 108 23.616 0.822 -6.585 1.00 63.54 H new ATOM 1736 N ASP A 109 23.399 -3.780 -5.341 1.00 51.33 N ATOM 1737 CA ASP A 109 23.503 -5.033 -6.080 1.00 53.20 C ATOM 1738 C ASP A 109 23.017 -6.205 -5.233 1.00 1.21 C ATOM 1739 O ASP A 109 22.127 -6.950 -5.641 1.00 31.15 O ATOM 1740 CB ASP A 109 24.947 -5.271 -6.522 1.00 5.02 C ATOM 1741 CG ASP A 109 25.315 -6.742 -6.533 1.00 14.11 C ATOM 1742 OD1 ASP A 109 26.069 -7.172 -5.635 1.00 74.40 O ATOM 1743 OD2 ASP A 109 24.847 -7.463 -7.439 1.00 1.31 O ATOM 0 H ASP A 109 24.293 -3.326 -5.153 1.00 51.33 H new ATOM 0 HA ASP A 109 22.869 -4.959 -6.963 1.00 53.20 H new ATOM 0 HB2 ASP A 109 25.091 -4.856 -7.519 1.00 5.02 H new ATOM 0 HB3 ASP A 109 25.621 -4.736 -5.853 1.00 5.02 H new ATOM 1748 N GLU A 110 23.609 -6.361 -4.053 1.00 22.21 N ATOM 1749 CA GLU A 110 23.237 -7.444 -3.150 1.00 25.11 C ATOM 1750 C GLU A 110 21.755 -7.372 -2.795 1.00 71.15 C ATOM 1751 O GLU A 110 21.144 -8.375 -2.423 1.00 64.25 O ATOM 1752 CB GLU A 110 24.081 -7.387 -1.875 1.00 23.02 C ATOM 1753 CG GLU A 110 25.578 -7.378 -2.135 1.00 62.15 C ATOM 1754 CD GLU A 110 26.117 -8.751 -2.488 1.00 2.03 C ATOM 1755 OE1 GLU A 110 26.944 -8.842 -3.420 1.00 12.14 O ATOM 1756 OE2 GLU A 110 25.713 -9.734 -1.832 1.00 52.14 O ATOM 0 H GLU A 110 24.347 -5.752 -3.700 1.00 22.21 H new ATOM 0 HA GLU A 110 23.425 -8.389 -3.660 1.00 25.11 H new ATOM 0 HB2 GLU A 110 23.813 -6.493 -1.312 1.00 23.02 H new ATOM 0 HB3 GLU A 110 23.835 -8.244 -1.248 1.00 23.02 H new ATOM 0 HG2 GLU A 110 25.798 -6.686 -2.948 1.00 62.15 H new ATOM 0 HG3 GLU A 110 26.094 -7.005 -1.250 1.00 62.15 H new ATOM 1763 N LEU A 111 21.182 -6.179 -2.913 1.00 21.32 N ATOM 1764 CA LEU A 111 19.771 -5.975 -2.605 1.00 11.35 C ATOM 1765 C LEU A 111 18.908 -6.168 -3.848 1.00 4.23 C ATOM 1766 O LEU A 111 17.692 -6.336 -3.753 1.00 11.55 O ATOM 1767 CB LEU A 111 19.552 -4.574 -2.031 1.00 10.24 C ATOM 1768 CG LEU A 111 18.118 -4.046 -2.077 1.00 34.11 C ATOM 1769 CD1 LEU A 111 17.193 -4.940 -1.265 1.00 5.15 C ATOM 1770 CD2 LEU A 111 18.060 -2.613 -1.568 1.00 33.20 C ATOM 0 H LEU A 111 21.673 -5.339 -3.220 1.00 21.32 H new ATOM 0 HA LEU A 111 19.476 -6.716 -1.862 1.00 11.35 H new ATOM 0 HB2 LEU A 111 19.885 -4.572 -0.993 1.00 10.24 H new ATOM 0 HB3 LEU A 111 20.192 -3.877 -2.572 1.00 10.24 H new ATOM 0 HG LEU A 111 17.781 -4.056 -3.114 1.00 34.11 H new ATOM 0 HD11 LEU A 111 16.177 -4.548 -1.310 1.00 5.15 H new ATOM 0 HD12 LEU A 111 17.211 -5.950 -1.675 1.00 5.15 H new ATOM 0 HD13 LEU A 111 17.528 -4.963 -0.228 1.00 5.15 H new ATOM 0 HD21 LEU A 111 17.032 -2.254 -1.608 1.00 33.20 H new ATOM 0 HD22 LEU A 111 18.417 -2.578 -0.539 1.00 33.20 H new ATOM 0 HD23 LEU A 111 18.690 -1.979 -2.192 1.00 33.20 H new ATOM 1782 N LEU A 112 19.546 -6.145 -5.013 1.00 30.21 N ATOM 1783 CA LEU A 112 18.838 -6.320 -6.276 1.00 74.21 C ATOM 1784 C LEU A 112 18.595 -7.798 -6.564 1.00 65.35 C ATOM 1785 O LEU A 112 17.457 -8.225 -6.756 1.00 23.21 O ATOM 1786 CB LEU A 112 19.632 -5.689 -7.421 1.00 21.12 C ATOM 1787 CG LEU A 112 18.811 -5.173 -8.603 1.00 62.53 C ATOM 1788 CD1 LEU A 112 17.941 -6.283 -9.173 1.00 12.21 C ATOM 1789 CD2 LEU A 112 17.958 -3.986 -8.183 1.00 14.04 C ATOM 0 H LEU A 112 20.552 -6.007 -5.109 1.00 30.21 H new ATOM 0 HA LEU A 112 17.872 -5.821 -6.194 1.00 74.21 H new ATOM 0 HB2 LEU A 112 20.214 -4.860 -7.019 1.00 21.12 H new ATOM 0 HB3 LEU A 112 20.343 -6.427 -7.793 1.00 21.12 H new ATOM 0 HG LEU A 112 19.499 -4.842 -9.381 1.00 62.53 H new ATOM 0 HD11 LEU A 112 17.364 -5.898 -10.013 1.00 12.21 H new ATOM 0 HD12 LEU A 112 18.574 -7.103 -9.513 1.00 12.21 H new ATOM 0 HD13 LEU A 112 17.261 -6.645 -8.402 1.00 12.21 H new ATOM 0 HD21 LEU A 112 17.381 -3.632 -9.037 1.00 14.04 H new ATOM 0 HD22 LEU A 112 17.279 -4.290 -7.387 1.00 14.04 H new ATOM 0 HD23 LEU A 112 18.603 -3.184 -7.824 1.00 14.04 H new ATOM 1801 N ALA A 113 19.674 -8.575 -6.592 1.00 13.13 N ATOM 1802 CA ALA A 113 19.578 -10.006 -6.852 1.00 40.11 C ATOM 1803 C ALA A 113 18.570 -10.667 -5.919 1.00 33.51 C ATOM 1804 O ALA A 113 17.920 -11.647 -6.286 1.00 2.05 O ATOM 1805 CB ALA A 113 20.944 -10.661 -6.707 1.00 35.12 C ATOM 0 H ALA A 113 20.624 -8.237 -6.438 1.00 13.13 H new ATOM 0 HA ALA A 113 19.229 -10.142 -7.876 1.00 40.11 H new ATOM 0 HB1 ALA A 113 20.858 -11.730 -6.904 1.00 35.12 H new ATOM 0 HB2 ALA A 113 21.639 -10.216 -7.419 1.00 35.12 H new ATOM 0 HB3 ALA A 113 21.315 -10.508 -5.694 1.00 35.12 H new ATOM 1811 N ARG A 114 18.445 -10.127 -4.711 1.00 55.34 N ATOM 1812 CA ARG A 114 17.516 -10.666 -3.725 1.00 64.30 C ATOM 1813 C ARG A 114 16.081 -10.607 -4.239 1.00 40.54 C ATOM 1814 O ARG A 114 15.362 -11.606 -4.222 1.00 34.32 O ATOM 1815 CB ARG A 114 17.631 -9.894 -2.410 1.00 14.24 C ATOM 1816 CG ARG A 114 17.413 -10.755 -1.176 1.00 62.34 C ATOM 1817 CD ARG A 114 18.733 -11.155 -0.536 1.00 44.12 C ATOM 1818 NE ARG A 114 18.659 -11.147 0.922 1.00 10.43 N ATOM 1819 CZ ARG A 114 18.661 -10.037 1.652 1.00 14.40 C ATOM 1820 NH1 ARG A 114 18.732 -8.851 1.062 1.00 70.52 N ATOM 1821 NH2 ARG A 114 18.590 -10.111 2.975 1.00 42.30 N ATOM 0 H ARG A 114 18.976 -9.317 -4.392 1.00 55.34 H new ATOM 0 HA ARG A 114 17.777 -11.710 -3.550 1.00 64.30 H new ATOM 0 HB2 ARG A 114 18.618 -9.436 -2.353 1.00 14.24 H new ATOM 0 HB3 ARG A 114 16.903 -9.083 -2.410 1.00 14.24 H new ATOM 0 HG2 ARG A 114 16.807 -10.209 -0.453 1.00 62.34 H new ATOM 0 HG3 ARG A 114 16.854 -11.650 -1.449 1.00 62.34 H new ATOM 0 HD2 ARG A 114 19.015 -12.150 -0.879 1.00 44.12 H new ATOM 0 HD3 ARG A 114 19.516 -10.471 -0.863 1.00 44.12 H new ATOM 0 HE ARG A 114 18.603 -12.043 1.407 1.00 10.43 H new ATOM 0 HH11 ARG A 114 18.785 -8.790 0.045 1.00 70.52 H new ATOM 0 HH12 ARG A 114 18.733 -8.001 1.625 1.00 70.52 H new ATOM 0 HH21 ARG A 114 18.534 -11.021 3.433 1.00 42.30 H new ATOM 0 HH22 ARG A 114 18.592 -9.258 3.534 1.00 42.30 H new ATOM 1835 N LEU A 115 15.671 -9.429 -4.696 1.00 55.33 N ATOM 1836 CA LEU A 115 14.321 -9.238 -5.216 1.00 13.45 C ATOM 1837 C LEU A 115 14.189 -9.823 -6.618 1.00 52.30 C ATOM 1838 O LEU A 115 13.435 -10.770 -6.837 1.00 33.13 O ATOM 1839 CB LEU A 115 13.967 -7.750 -5.236 1.00 52.40 C ATOM 1840 CG LEU A 115 12.689 -7.353 -4.496 1.00 30.34 C ATOM 1841 CD1 LEU A 115 11.468 -7.939 -5.187 1.00 72.31 C ATOM 1842 CD2 LEU A 115 12.751 -7.807 -3.044 1.00 41.33 C ATOM 0 H LEU A 115 16.253 -8.592 -4.717 1.00 55.33 H new ATOM 0 HA LEU A 115 13.627 -9.761 -4.558 1.00 13.45 H new ATOM 0 HB2 LEU A 115 14.800 -7.193 -4.806 1.00 52.40 H new ATOM 0 HB3 LEU A 115 13.875 -7.433 -6.275 1.00 52.40 H new ATOM 0 HG LEU A 115 12.604 -6.266 -4.514 1.00 30.34 H new ATOM 0 HD11 LEU A 115 10.568 -7.646 -4.646 1.00 72.31 H new ATOM 0 HD12 LEU A 115 11.415 -7.566 -6.210 1.00 72.31 H new ATOM 0 HD13 LEU A 115 11.545 -9.026 -5.201 1.00 72.31 H new ATOM 0 HD21 LEU A 115 11.834 -7.516 -2.532 1.00 41.33 H new ATOM 0 HD22 LEU A 115 12.860 -8.891 -3.006 1.00 41.33 H new ATOM 0 HD23 LEU A 115 13.604 -7.339 -2.553 1.00 41.33 H new ATOM 1854 N GLU A 116 14.929 -9.253 -7.564 1.00 2.44 N ATOM 1855 CA GLU A 116 14.895 -9.719 -8.945 1.00 22.44 C ATOM 1856 C GLU A 116 16.051 -10.676 -9.224 1.00 74.30 C ATOM 1857 O GLU A 116 15.950 -11.551 -10.083 1.00 65.24 O ATOM 1858 CB GLU A 116 14.957 -8.533 -9.909 1.00 74.00 C ATOM 1859 CG GLU A 116 13.881 -8.564 -10.982 1.00 33.25 C ATOM 1860 CD GLU A 116 14.107 -9.661 -12.004 1.00 24.24 C ATOM 1861 OE1 GLU A 116 13.785 -10.829 -11.701 1.00 23.24 O ATOM 1862 OE2 GLU A 116 14.607 -9.352 -13.105 1.00 71.35 O ATOM 0 H GLU A 116 15.559 -8.468 -7.399 1.00 2.44 H new ATOM 0 HA GLU A 116 13.957 -10.253 -9.098 1.00 22.44 H new ATOM 0 HB2 GLU A 116 14.864 -7.608 -9.340 1.00 74.00 H new ATOM 0 HB3 GLU A 116 15.936 -8.516 -10.388 1.00 74.00 H new ATOM 0 HG2 GLU A 116 12.908 -8.706 -10.511 1.00 33.25 H new ATOM 0 HG3 GLU A 116 13.852 -7.600 -11.490 1.00 33.25 H new