USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 878 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 Single : A 13 SER OG : rot 36:sc= 0.0141 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 64:sc= 1.2 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.287 USER MOD Single : A 31 LYS NZ :NH3+ -164:sc= -0.092 (180deg=-0.409) USER MOD Single : A 32 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0256) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -1.08 X(o=-1.1,f=-0.66) USER MOD Single : A 44 SER OG : rot -25:sc= 0.272 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 CYS SG : rot 66:sc= -1.03 USER MOD Single : A 62 THR OG1 : rot 85:sc= 0.54 USER MOD Single : A 65 LYS NZ :NH3+ 162:sc= -0.126 (180deg=-0.551) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 71:sc= -3.26! USER MOD Single : A 78 SER OG : rot 70:sc= 1.23 USER MOD Single : A 79 ASN : amide:sc= 1.52 K(o=1.5,f=-6.2!) USER MOD Single : A 87 CYS SG : rot 163:sc= -1.75! USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0.28) USER MOD Single : A 102 TYR OH : rot -155:sc= -2.33! USER MOD Single : A 103 GLN : amide:sc=-0.00744 X(o=-0.0074,f=-0.045) USER MOD Single : A 105 GLN : amide:sc= -0.0252 X(o=-0.025,f=-0.048) USER MOD Single : A 106 ASN : amide:sc= -0.163 K(o=-0.16,f=-1.3) USER MOD Single : A 108 ASN : amide:sc= -0.211 X(o=-0.21,f=-0.21) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 81:sc= 0.568 USER MOD Single : A 113 SER OG : rot 82:sc= 0.798 USER MOD Single : A 116 THR OG1 : rot 75:sc= 1.25 USER MOD Single : A 118 ASN : amide:sc= 0.658 K(o=0.66,f=-0.031) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 THR OG1 : rot -69:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 195 N SER A 13 2.957 5.835 -13.042 1.00 50.14 N ATOM 196 CA SER A 13 1.876 5.608 -12.078 1.00 41.23 C ATOM 197 C SER A 13 2.332 5.862 -10.635 1.00 74.45 C ATOM 198 O SER A 13 1.539 6.277 -9.790 1.00 25.41 O ATOM 199 CB SER A 13 1.338 4.176 -12.204 1.00 24.33 C ATOM 200 OG SER A 13 0.727 3.962 -13.465 1.00 34.34 O ATOM 0 HA SER A 13 1.083 6.318 -12.311 1.00 41.23 H new ATOM 0 HB2 SER A 13 2.154 3.466 -12.068 1.00 24.33 H new ATOM 0 HB3 SER A 13 0.615 3.986 -11.411 1.00 24.33 H new ATOM 0 HG SER A 13 1.221 4.452 -14.155 1.00 34.34 H new ATOM 206 N ALA A 14 3.611 5.626 -10.354 1.00 34.54 N ATOM 207 CA ALA A 14 4.145 5.806 -9.000 1.00 2.24 C ATOM 208 C ALA A 14 4.101 7.282 -8.564 1.00 53.44 C ATOM 209 O ALA A 14 3.809 7.582 -7.406 1.00 21.14 O ATOM 210 CB ALA A 14 5.563 5.251 -8.900 1.00 41.45 C ATOM 0 H ALA A 14 4.297 5.311 -11.040 1.00 34.54 H new ATOM 0 HA ALA A 14 3.507 5.245 -8.317 1.00 2.24 H new ATOM 0 HB1 ALA A 14 5.940 5.395 -7.887 1.00 41.45 H new ATOM 0 HB2 ALA A 14 5.555 4.187 -9.136 1.00 41.45 H new ATOM 0 HB3 ALA A 14 6.209 5.774 -9.605 1.00 41.45 H new ATOM 216 N GLU A 15 4.380 8.199 -9.499 1.00 74.32 N ATOM 217 CA GLU A 15 4.308 9.645 -9.221 1.00 53.24 C ATOM 218 C GLU A 15 2.942 10.032 -8.630 1.00 22.54 C ATOM 219 O GLU A 15 2.854 10.560 -7.519 1.00 23.13 O ATOM 220 CB GLU A 15 4.538 10.460 -10.504 1.00 41.30 C ATOM 221 CG GLU A 15 5.877 10.208 -11.189 1.00 2.51 C ATOM 222 CD GLU A 15 6.059 11.056 -12.442 1.00 14.15 C ATOM 223 OE1 GLU A 15 5.219 10.951 -13.363 1.00 72.14 O ATOM 224 OE2 GLU A 15 7.042 11.827 -12.511 1.00 31.44 O ATOM 0 H GLU A 15 4.657 7.969 -10.453 1.00 74.32 H new ATOM 0 HA GLU A 15 5.090 9.871 -8.496 1.00 53.24 H new ATOM 0 HB2 GLU A 15 3.737 10.236 -11.209 1.00 41.30 H new ATOM 0 HB3 GLU A 15 4.463 11.520 -10.263 1.00 41.30 H new ATOM 0 HG2 GLU A 15 6.685 10.421 -10.489 1.00 2.51 H new ATOM 0 HG3 GLU A 15 5.954 9.153 -11.453 1.00 2.51 H new ATOM 231 N GLN A 16 1.882 9.759 -9.391 1.00 14.42 N ATOM 232 CA GLN A 16 0.514 10.070 -8.960 1.00 32.22 C ATOM 233 C GLN A 16 0.124 9.277 -7.696 1.00 1.43 C ATOM 234 O GLN A 16 -0.656 9.756 -6.873 1.00 32.44 O ATOM 235 CB GLN A 16 -0.487 9.793 -10.100 1.00 60.30 C ATOM 236 CG GLN A 16 -0.480 8.350 -10.598 1.00 54.44 C ATOM 237 CD GLN A 16 -1.485 8.099 -11.711 1.00 24.13 C ATOM 238 OE1 GLN A 16 -2.632 7.740 -11.462 1.00 14.32 O ATOM 239 NE2 GLN A 16 -1.060 8.276 -12.948 1.00 45.44 N ATOM 0 H GLN A 16 1.942 9.322 -10.311 1.00 14.42 H new ATOM 0 HA GLN A 16 0.479 11.130 -8.710 1.00 32.22 H new ATOM 0 HB2 GLN A 16 -1.491 10.043 -9.756 1.00 60.30 H new ATOM 0 HB3 GLN A 16 -0.262 10.456 -10.936 1.00 60.30 H new ATOM 0 HG2 GLN A 16 0.519 8.100 -10.955 1.00 54.44 H new ATOM 0 HG3 GLN A 16 -0.696 7.683 -9.764 1.00 54.44 H new ATOM 0 HE21 GLN A 16 -0.100 8.575 -13.120 1.00 45.44 H new ATOM 0 HE22 GLN A 16 -1.692 8.114 -13.732 1.00 45.44 H new ATOM 248 N THR A 17 0.682 8.070 -7.538 1.00 21.31 N ATOM 249 CA THR A 17 0.404 7.241 -6.351 1.00 22.15 C ATOM 250 C THR A 17 0.895 7.926 -5.066 1.00 3.43 C ATOM 251 O THR A 17 0.204 7.918 -4.048 1.00 24.42 O ATOM 252 CB THR A 17 1.046 5.830 -6.454 1.00 12.12 C ATOM 253 OG1 THR A 17 0.503 5.112 -7.574 1.00 44.13 O ATOM 254 CG2 THR A 17 0.814 5.017 -5.178 1.00 73.44 C ATOM 0 H THR A 17 1.323 7.646 -8.208 1.00 21.31 H new ATOM 0 HA THR A 17 -0.679 7.124 -6.310 1.00 22.15 H new ATOM 0 HB THR A 17 2.118 5.969 -6.591 1.00 12.12 H new ATOM 0 HG1 THR A 17 0.743 5.573 -8.405 1.00 44.13 H new ATOM 0 HG21 THR A 17 1.276 4.035 -5.283 1.00 73.44 H new ATOM 0 HG22 THR A 17 1.257 5.538 -4.329 1.00 73.44 H new ATOM 0 HG23 THR A 17 -0.257 4.898 -5.012 1.00 73.44 H new ATOM 262 N VAL A 18 2.086 8.533 -5.118 1.00 44.30 N ATOM 263 CA VAL A 18 2.621 9.277 -3.969 1.00 42.03 C ATOM 264 C VAL A 18 1.627 10.361 -3.514 1.00 32.42 C ATOM 265 O VAL A 18 1.174 10.366 -2.368 1.00 15.21 O ATOM 266 CB VAL A 18 3.984 9.943 -4.301 1.00 32.24 C ATOM 267 CG1 VAL A 18 4.518 10.723 -3.099 1.00 52.03 C ATOM 268 CG2 VAL A 18 5.000 8.901 -4.764 1.00 41.54 C ATOM 0 H VAL A 18 2.695 8.525 -5.936 1.00 44.30 H new ATOM 0 HA VAL A 18 2.773 8.557 -3.165 1.00 42.03 H new ATOM 0 HB VAL A 18 3.824 10.647 -5.117 1.00 32.24 H new ATOM 0 HG11 VAL A 18 5.473 11.180 -3.357 1.00 52.03 H new ATOM 0 HG12 VAL A 18 3.806 11.501 -2.825 1.00 52.03 H new ATOM 0 HG13 VAL A 18 4.656 10.045 -2.257 1.00 52.03 H new ATOM 0 HG21 VAL A 18 5.947 9.391 -4.991 1.00 41.54 H new ATOM 0 HG22 VAL A 18 5.152 8.165 -3.974 1.00 41.54 H new ATOM 0 HG23 VAL A 18 4.627 8.401 -5.658 1.00 41.54 H new ATOM 278 N THR A 19 1.280 11.264 -4.433 1.00 54.42 N ATOM 279 CA THR A 19 0.308 12.332 -4.150 1.00 10.21 C ATOM 280 C THR A 19 -1.036 11.756 -3.671 1.00 12.45 C ATOM 281 O THR A 19 -1.679 12.309 -2.779 1.00 63.23 O ATOM 282 CB THR A 19 0.061 13.218 -5.403 1.00 54.22 C ATOM 283 OG1 THR A 19 1.309 13.737 -5.895 1.00 44.32 O ATOM 284 CG2 THR A 19 -0.878 14.380 -5.087 1.00 23.01 C ATOM 0 H THR A 19 1.656 11.280 -5.381 1.00 54.42 H new ATOM 0 HA THR A 19 0.737 12.944 -3.357 1.00 10.21 H new ATOM 0 HB THR A 19 -0.406 12.592 -6.164 1.00 54.22 H new ATOM 0 HG1 THR A 19 1.144 14.292 -6.685 1.00 44.32 H new ATOM 0 HG21 THR A 19 -1.030 14.980 -5.984 1.00 23.01 H new ATOM 0 HG22 THR A 19 -1.837 13.990 -4.745 1.00 23.01 H new ATOM 0 HG23 THR A 19 -0.439 15.001 -4.306 1.00 23.01 H new ATOM 292 N TRP A 20 -1.442 10.636 -4.266 1.00 21.35 N ATOM 293 CA TRP A 20 -2.688 9.955 -3.897 1.00 72.21 C ATOM 294 C TRP A 20 -2.670 9.500 -2.423 1.00 72.55 C ATOM 295 O TRP A 20 -3.637 9.705 -1.685 1.00 31.43 O ATOM 296 CB TRP A 20 -2.911 8.758 -4.832 1.00 14.21 C ATOM 297 CG TRP A 20 -4.175 7.989 -4.570 1.00 12.22 C ATOM 298 CD1 TRP A 20 -5.447 8.483 -4.532 1.00 75.21 C ATOM 299 CD2 TRP A 20 -4.284 6.580 -4.336 1.00 62.53 C ATOM 300 NE1 TRP A 20 -6.337 7.468 -4.275 1.00 70.04 N ATOM 301 CE2 TRP A 20 -5.649 6.292 -4.150 1.00 1.41 C ATOM 302 CE3 TRP A 20 -3.355 5.533 -4.263 1.00 22.12 C ATOM 303 CZ2 TRP A 20 -6.109 5.004 -3.896 1.00 3.14 C ATOM 304 CZ3 TRP A 20 -3.814 4.254 -4.009 1.00 73.24 C ATOM 305 CH2 TRP A 20 -5.181 3.999 -3.829 1.00 34.21 C ATOM 0 H TRP A 20 -0.923 10.175 -5.013 1.00 21.35 H new ATOM 0 HA TRP A 20 -3.513 10.659 -4.006 1.00 72.21 H new ATOM 0 HB2 TRP A 20 -2.925 9.115 -5.862 1.00 14.21 H new ATOM 0 HB3 TRP A 20 -2.063 8.080 -4.741 1.00 14.21 H new ATOM 0 HD1 TRP A 20 -5.714 9.519 -4.682 1.00 75.21 H new ATOM 0 HE1 TRP A 20 -7.348 7.574 -4.191 1.00 70.04 H new ATOM 0 HE3 TRP A 20 -2.301 5.722 -4.403 1.00 22.12 H new ATOM 0 HZ2 TRP A 20 -7.161 4.804 -3.757 1.00 3.14 H new ATOM 0 HZ3 TRP A 20 -3.109 3.438 -3.948 1.00 73.24 H new ATOM 0 HH2 TRP A 20 -5.509 2.989 -3.633 1.00 34.21 H new ATOM 316 N LEU A 21 -1.565 8.898 -1.995 1.00 62.32 N ATOM 317 CA LEU A 21 -1.415 8.464 -0.600 1.00 14.24 C ATOM 318 C LEU A 21 -1.401 9.669 0.362 1.00 5.32 C ATOM 319 O LEU A 21 -1.946 9.608 1.471 1.00 73.32 O ATOM 320 CB LEU A 21 -0.128 7.643 -0.434 1.00 54.13 C ATOM 321 CG LEU A 21 -0.050 6.358 -1.276 1.00 3.02 C ATOM 322 CD1 LEU A 21 1.286 5.647 -1.066 1.00 22.03 C ATOM 323 CD2 LEU A 21 -1.216 5.427 -0.948 1.00 31.24 C ATOM 0 H LEU A 21 -0.759 8.698 -2.588 1.00 62.32 H new ATOM 0 HA LEU A 21 -2.273 7.840 -0.349 1.00 14.24 H new ATOM 0 HB2 LEU A 21 0.722 8.276 -0.689 1.00 54.13 H new ATOM 0 HB3 LEU A 21 -0.022 7.375 0.617 1.00 54.13 H new ATOM 0 HG LEU A 21 -0.121 6.638 -2.327 1.00 3.02 H new ATOM 0 HD11 LEU A 21 1.316 4.742 -1.672 1.00 22.03 H new ATOM 0 HD12 LEU A 21 2.101 6.308 -1.361 1.00 22.03 H new ATOM 0 HD13 LEU A 21 1.396 5.383 -0.014 1.00 22.03 H new ATOM 0 HD21 LEU A 21 -1.142 4.524 -1.554 1.00 31.24 H new ATOM 0 HD22 LEU A 21 -1.182 5.159 0.108 1.00 31.24 H new ATOM 0 HD23 LEU A 21 -2.157 5.933 -1.163 1.00 31.24 H new ATOM 335 N ILE A 22 -0.780 10.764 -0.072 1.00 13.00 N ATOM 336 CA ILE A 22 -0.700 11.989 0.734 1.00 30.21 C ATOM 337 C ILE A 22 -2.079 12.663 0.893 1.00 71.43 C ATOM 338 O ILE A 22 -2.479 13.030 2.004 1.00 0.42 O ATOM 339 CB ILE A 22 0.301 12.999 0.108 1.00 61.23 C ATOM 340 CG1 ILE A 22 1.713 12.385 0.047 1.00 2.40 C ATOM 341 CG2 ILE A 22 0.318 14.313 0.893 1.00 51.34 C ATOM 342 CD1 ILE A 22 2.741 13.277 -0.622 1.00 40.24 C ATOM 0 H ILE A 22 -0.322 10.832 -0.981 1.00 13.00 H new ATOM 0 HA ILE A 22 -0.346 11.695 1.722 1.00 30.21 H new ATOM 0 HB ILE A 22 -0.027 13.219 -0.908 1.00 61.23 H new ATOM 0 HG12 ILE A 22 2.045 12.161 1.061 1.00 2.40 H new ATOM 0 HG13 ILE A 22 1.664 11.437 -0.490 1.00 2.40 H new ATOM 0 HG21 ILE A 22 1.027 15.002 0.434 1.00 51.34 H new ATOM 0 HG22 ILE A 22 -0.678 14.756 0.882 1.00 51.34 H new ATOM 0 HG23 ILE A 22 0.617 14.118 1.923 1.00 51.34 H new ATOM 0 HD11 ILE A 22 3.709 12.776 -0.627 1.00 40.24 H new ATOM 0 HD12 ILE A 22 2.433 13.481 -1.647 1.00 40.24 H new ATOM 0 HD13 ILE A 22 2.821 14.215 -0.073 1.00 40.24 H new ATOM 354 N THR A 23 -2.813 12.808 -0.211 1.00 22.01 N ATOM 355 CA THR A 23 -4.124 13.483 -0.193 1.00 54.23 C ATOM 356 C THR A 23 -5.170 12.692 0.616 1.00 40.14 C ATOM 357 O THR A 23 -6.128 13.265 1.137 1.00 61.32 O ATOM 358 CB THR A 23 -4.669 13.741 -1.627 1.00 43.22 C ATOM 359 OG1 THR A 23 -5.874 14.524 -1.572 1.00 44.44 O ATOM 360 CG2 THR A 23 -4.954 12.435 -2.362 1.00 72.14 C ATOM 0 H THR A 23 -2.528 12.470 -1.130 1.00 22.01 H new ATOM 0 HA THR A 23 -3.957 14.443 0.295 1.00 54.23 H new ATOM 0 HB THR A 23 -3.899 14.286 -2.173 1.00 43.22 H new ATOM 0 HG1 THR A 23 -6.205 14.680 -2.481 1.00 44.44 H new ATOM 0 HG21 THR A 23 -5.333 12.654 -3.360 1.00 72.14 H new ATOM 0 HG22 THR A 23 -4.035 11.855 -2.443 1.00 72.14 H new ATOM 0 HG23 THR A 23 -5.698 11.861 -1.809 1.00 72.14 H new ATOM 368 N LEU A 24 -4.979 11.374 0.722 1.00 60.40 N ATOM 369 CA LEU A 24 -5.861 10.519 1.535 1.00 5.21 C ATOM 370 C LEU A 24 -5.477 10.546 3.025 1.00 44.40 C ATOM 371 O LEU A 24 -6.181 9.986 3.865 1.00 14.54 O ATOM 372 CB LEU A 24 -5.826 9.073 1.015 1.00 73.13 C ATOM 373 CG LEU A 24 -6.462 8.853 -0.368 1.00 34.34 C ATOM 374 CD1 LEU A 24 -6.279 7.408 -0.823 1.00 12.15 C ATOM 375 CD2 LEU A 24 -7.943 9.224 -0.345 1.00 14.33 C ATOM 0 H LEU A 24 -4.223 10.872 0.257 1.00 60.40 H new ATOM 0 HA LEU A 24 -6.872 10.917 1.444 1.00 5.21 H new ATOM 0 HB2 LEU A 24 -4.787 8.745 0.975 1.00 73.13 H new ATOM 0 HB3 LEU A 24 -6.335 8.433 1.736 1.00 73.13 H new ATOM 0 HG LEU A 24 -5.956 9.503 -1.082 1.00 34.34 H new ATOM 0 HD11 LEU A 24 -6.736 7.275 -1.803 1.00 12.15 H new ATOM 0 HD12 LEU A 24 -5.215 7.178 -0.884 1.00 12.15 H new ATOM 0 HD13 LEU A 24 -6.754 6.738 -0.107 1.00 12.15 H new ATOM 0 HD21 LEU A 24 -8.374 9.061 -1.333 1.00 14.33 H new ATOM 0 HD22 LEU A 24 -8.462 8.603 0.385 1.00 14.33 H new ATOM 0 HD23 LEU A 24 -8.051 10.273 -0.070 1.00 14.33 H new ATOM 387 N GLY A 25 -4.355 11.190 3.341 1.00 12.11 N ATOM 388 CA GLY A 25 -3.905 11.288 4.728 1.00 14.40 C ATOM 389 C GLY A 25 -3.391 9.966 5.303 1.00 75.00 C ATOM 390 O GLY A 25 -3.274 9.814 6.521 1.00 2.34 O ATOM 0 H GLY A 25 -3.746 11.648 2.663 1.00 12.11 H new ATOM 0 HA2 GLY A 25 -3.113 12.034 4.792 1.00 14.40 H new ATOM 0 HA3 GLY A 25 -4.730 11.646 5.344 1.00 14.40 H new ATOM 394 N VAL A 26 -3.073 9.012 4.429 1.00 44.21 N ATOM 395 CA VAL A 26 -2.572 7.700 4.858 1.00 11.22 C ATOM 396 C VAL A 26 -1.041 7.639 4.808 1.00 43.52 C ATOM 397 O VAL A 26 -0.424 6.732 5.366 1.00 33.40 O ATOM 398 CB VAL A 26 -3.174 6.564 3.995 1.00 42.33 C ATOM 399 CG1 VAL A 26 -4.696 6.586 4.097 1.00 62.01 C ATOM 400 CG2 VAL A 26 -2.719 6.676 2.538 1.00 35.22 C ATOM 0 H VAL A 26 -3.152 9.120 3.418 1.00 44.21 H new ATOM 0 HA VAL A 26 -2.887 7.559 5.892 1.00 11.22 H new ATOM 0 HB VAL A 26 -2.812 5.609 4.376 1.00 42.33 H new ATOM 0 HG11 VAL A 26 -5.113 5.784 3.488 1.00 62.01 H new ATOM 0 HG12 VAL A 26 -4.993 6.444 5.136 1.00 62.01 H new ATOM 0 HG13 VAL A 26 -5.071 7.545 3.740 1.00 62.01 H new ATOM 0 HG21 VAL A 26 -3.158 5.865 1.957 1.00 35.22 H new ATOM 0 HG22 VAL A 26 -3.043 7.633 2.128 1.00 35.22 H new ATOM 0 HG23 VAL A 26 -1.632 6.610 2.490 1.00 35.22 H new ATOM 410 N LEU A 27 -0.436 8.608 4.129 1.00 62.13 N ATOM 411 CA LEU A 27 1.020 8.724 4.074 1.00 25.25 C ATOM 412 C LEU A 27 1.454 10.171 4.338 1.00 53.11 C ATOM 413 O LEU A 27 0.869 11.118 3.805 1.00 52.41 O ATOM 414 CB LEU A 27 1.551 8.249 2.713 1.00 31.14 C ATOM 415 CG LEU A 27 3.083 8.270 2.555 1.00 3.55 C ATOM 416 CD1 LEU A 27 3.751 7.354 3.581 1.00 65.31 C ATOM 417 CD2 LEU A 27 3.485 7.873 1.134 1.00 54.44 C ATOM 0 H LEU A 27 -0.933 9.329 3.606 1.00 62.13 H new ATOM 0 HA LEU A 27 1.442 8.086 4.851 1.00 25.25 H new ATOM 0 HB2 LEU A 27 1.199 7.232 2.540 1.00 31.14 H new ATOM 0 HB3 LEU A 27 1.114 8.874 1.934 1.00 31.14 H new ATOM 0 HG LEU A 27 3.427 9.288 2.737 1.00 3.55 H new ATOM 0 HD11 LEU A 27 4.832 7.387 3.448 1.00 65.31 H new ATOM 0 HD12 LEU A 27 3.499 7.689 4.587 1.00 65.31 H new ATOM 0 HD13 LEU A 27 3.399 6.332 3.440 1.00 65.31 H new ATOM 0 HD21 LEU A 27 4.571 7.894 1.044 1.00 54.44 H new ATOM 0 HD22 LEU A 27 3.123 6.867 0.921 1.00 54.44 H new ATOM 0 HD23 LEU A 27 3.048 8.574 0.423 1.00 54.44 H new ATOM 429 N GLU A 28 2.471 10.335 5.180 1.00 2.21 N ATOM 430 CA GLU A 28 3.005 11.662 5.499 1.00 51.11 C ATOM 431 C GLU A 28 3.803 12.239 4.316 1.00 2.43 C ATOM 432 O GLU A 28 4.417 11.501 3.541 1.00 14.20 O ATOM 433 CB GLU A 28 3.873 11.591 6.761 1.00 3.43 C ATOM 434 CG GLU A 28 5.051 10.632 6.650 1.00 43.41 C ATOM 435 CD GLU A 28 5.803 10.482 7.963 1.00 12.53 C ATOM 436 OE1 GLU A 28 6.701 11.306 8.237 1.00 10.31 O ATOM 437 OE2 GLU A 28 5.490 9.548 8.732 1.00 5.00 O ATOM 0 H GLU A 28 2.944 9.567 5.656 1.00 2.21 H new ATOM 0 HA GLU A 28 2.167 12.333 5.689 1.00 51.11 H new ATOM 0 HB2 GLU A 28 4.250 12.589 6.987 1.00 3.43 H new ATOM 0 HB3 GLU A 28 3.249 11.288 7.602 1.00 3.43 H new ATOM 0 HG2 GLU A 28 4.691 9.655 6.327 1.00 43.41 H new ATOM 0 HG3 GLU A 28 5.736 10.990 5.881 1.00 43.41 H new ATOM 444 N SER A 29 3.797 13.561 4.193 1.00 40.34 N ATOM 445 CA SER A 29 4.392 14.236 3.029 1.00 72.22 C ATOM 446 C SER A 29 5.899 14.484 3.206 1.00 15.44 C ATOM 447 O SER A 29 6.377 14.723 4.318 1.00 45.41 O ATOM 448 CB SER A 29 3.684 15.575 2.768 1.00 61.43 C ATOM 449 OG SER A 29 4.221 16.233 1.629 1.00 35.31 O ATOM 0 H SER A 29 3.388 14.193 4.881 1.00 40.34 H new ATOM 0 HA SER A 29 4.259 13.571 2.176 1.00 72.22 H new ATOM 0 HB2 SER A 29 2.618 15.402 2.621 1.00 61.43 H new ATOM 0 HB3 SER A 29 3.785 16.218 3.642 1.00 61.43 H new ATOM 0 HG SER A 29 3.749 17.080 1.488 1.00 35.31 H new ATOM 455 N PRO A 30 6.674 14.413 2.102 1.00 63.35 N ATOM 456 CA PRO A 30 8.104 14.765 2.099 1.00 45.14 C ATOM 457 C PRO A 30 8.339 16.280 1.942 1.00 53.15 C ATOM 458 O PRO A 30 7.427 17.029 1.573 1.00 72.22 O ATOM 459 CB PRO A 30 8.620 14.012 0.869 1.00 22.53 C ATOM 460 CG PRO A 30 7.471 14.058 -0.083 1.00 73.42 C ATOM 461 CD PRO A 30 6.224 13.957 0.765 1.00 34.42 C ATOM 0 HA PRO A 30 8.602 14.504 3.033 1.00 45.14 H new ATOM 0 HB2 PRO A 30 9.506 14.489 0.450 1.00 22.53 H new ATOM 0 HB3 PRO A 30 8.896 12.986 1.114 1.00 22.53 H new ATOM 0 HG2 PRO A 30 7.478 14.984 -0.658 1.00 73.42 H new ATOM 0 HG3 PRO A 30 7.524 13.237 -0.799 1.00 73.42 H new ATOM 0 HD2 PRO A 30 5.423 14.585 0.376 1.00 34.42 H new ATOM 0 HD3 PRO A 30 5.842 12.937 0.797 1.00 34.42 H new ATOM 469 N LYS A 31 9.561 16.731 2.224 1.00 5.55 N ATOM 470 CA LYS A 31 9.919 18.146 2.067 1.00 61.53 C ATOM 471 C LYS A 31 10.348 18.449 0.621 1.00 72.32 C ATOM 472 O LYS A 31 10.055 19.519 0.084 1.00 20.33 O ATOM 473 CB LYS A 31 11.034 18.520 3.063 1.00 60.42 C ATOM 474 CG LYS A 31 11.354 20.019 3.136 1.00 24.20 C ATOM 475 CD LYS A 31 12.417 20.453 2.122 1.00 74.10 C ATOM 476 CE LYS A 31 13.782 19.845 2.438 1.00 43.12 C ATOM 477 NZ LYS A 31 14.248 20.199 3.809 1.00 31.13 N ATOM 0 H LYS A 31 10.321 16.140 2.562 1.00 5.55 H new ATOM 0 HA LYS A 31 9.040 18.753 2.283 1.00 61.53 H new ATOM 0 HB2 LYS A 31 10.746 18.175 4.056 1.00 60.42 H new ATOM 0 HB3 LYS A 31 11.942 17.982 2.790 1.00 60.42 H new ATOM 0 HG2 LYS A 31 10.441 20.589 2.964 1.00 24.20 H new ATOM 0 HG3 LYS A 31 11.697 20.263 4.141 1.00 24.20 H new ATOM 0 HD2 LYS A 31 12.108 20.153 1.121 1.00 74.10 H new ATOM 0 HD3 LYS A 31 12.495 21.540 2.119 1.00 74.10 H new ATOM 0 HE2 LYS A 31 13.726 18.761 2.343 1.00 43.12 H new ATOM 0 HE3 LYS A 31 14.512 20.192 1.706 1.00 43.12 H new ATOM 0 HZ1 LYS A 31 15.267 20.007 3.890 1.00 31.13 H new ATOM 0 HZ2 LYS A 31 14.071 21.208 3.986 1.00 31.13 H new ATOM 0 HZ3 LYS A 31 13.732 19.629 4.509 1.00 31.13 H new ATOM 491 N LYS A 32 11.050 17.506 -0.006 1.00 43.44 N ATOM 492 CA LYS A 32 11.485 17.659 -1.403 1.00 11.25 C ATOM 493 C LYS A 32 10.585 16.892 -2.381 1.00 40.23 C ATOM 494 O LYS A 32 9.818 16.013 -1.988 1.00 45.41 O ATOM 495 CB LYS A 32 12.926 17.168 -1.583 1.00 15.53 C ATOM 496 CG LYS A 32 13.983 18.059 -0.945 1.00 11.40 C ATOM 497 CD LYS A 32 15.391 17.549 -1.243 1.00 70.44 C ATOM 498 CE LYS A 32 15.652 17.439 -2.745 1.00 54.31 C ATOM 499 NZ LYS A 32 15.565 18.760 -3.429 1.00 35.32 N ATOM 0 H LYS A 32 11.332 16.627 0.427 1.00 43.44 H new ATOM 0 HA LYS A 32 11.418 18.724 -1.627 1.00 11.25 H new ATOM 0 HB2 LYS A 32 13.010 16.167 -1.160 1.00 15.53 H new ATOM 0 HB3 LYS A 32 13.137 17.083 -2.649 1.00 15.53 H new ATOM 0 HG2 LYS A 32 13.876 19.078 -1.318 1.00 11.40 H new ATOM 0 HG3 LYS A 32 13.828 18.096 0.133 1.00 11.40 H new ATOM 0 HD2 LYS A 32 16.123 18.222 -0.796 1.00 70.44 H new ATOM 0 HD3 LYS A 32 15.529 16.573 -0.778 1.00 70.44 H new ATOM 0 HE2 LYS A 32 16.641 17.011 -2.910 1.00 54.31 H new ATOM 0 HE3 LYS A 32 14.930 16.754 -3.188 1.00 54.31 H new ATOM 0 HZ1 LYS A 32 15.831 18.652 -4.428 1.00 35.32 H new ATOM 0 HZ2 LYS A 32 14.591 19.119 -3.367 1.00 35.32 H new ATOM 0 HZ3 LYS A 32 16.212 19.432 -2.969 1.00 35.32 H new ATOM 513 N THR A 33 10.705 17.233 -3.664 1.00 1.22 N ATOM 514 CA THR A 33 10.042 16.483 -4.738 1.00 53.41 C ATOM 515 C THR A 33 10.672 15.091 -4.887 1.00 60.24 C ATOM 516 O THR A 33 11.896 14.962 -4.933 1.00 70.43 O ATOM 517 CB THR A 33 10.142 17.232 -6.092 1.00 13.44 C ATOM 518 OG1 THR A 33 9.602 18.556 -5.958 1.00 14.44 O ATOM 519 CG2 THR A 33 9.392 16.488 -7.195 1.00 71.32 C ATOM 0 H THR A 33 11.257 18.027 -3.989 1.00 1.22 H new ATOM 0 HA THR A 33 8.991 16.384 -4.467 1.00 53.41 H new ATOM 0 HB THR A 33 11.195 17.287 -6.368 1.00 13.44 H new ATOM 0 HG1 THR A 33 9.669 19.025 -6.816 1.00 14.44 H new ATOM 0 HG21 THR A 33 9.481 17.039 -8.131 1.00 71.32 H new ATOM 0 HG22 THR A 33 9.819 15.493 -7.318 1.00 71.32 H new ATOM 0 HG23 THR A 33 8.340 16.401 -6.924 1.00 71.32 H new ATOM 527 N ILE A 34 9.842 14.057 -4.961 1.00 63.22 N ATOM 528 CA ILE A 34 10.335 12.678 -5.044 1.00 41.51 C ATOM 529 C ILE A 34 11.160 12.435 -6.327 1.00 72.22 C ATOM 530 O ILE A 34 10.639 12.523 -7.442 1.00 65.52 O ATOM 531 CB ILE A 34 9.168 11.656 -4.980 1.00 73.21 C ATOM 532 CG1 ILE A 34 8.297 11.897 -3.729 1.00 54.41 C ATOM 533 CG2 ILE A 34 9.710 10.228 -4.989 1.00 60.14 C ATOM 534 CD1 ILE A 34 9.045 11.745 -2.416 1.00 64.22 C ATOM 0 H ILE A 34 8.826 14.142 -4.966 1.00 63.22 H new ATOM 0 HA ILE A 34 10.986 12.532 -4.182 1.00 41.51 H new ATOM 0 HB ILE A 34 8.542 11.795 -5.861 1.00 73.21 H new ATOM 0 HG12 ILE A 34 7.875 12.901 -3.781 1.00 54.41 H new ATOM 0 HG13 ILE A 34 7.460 11.198 -3.742 1.00 54.41 H new ATOM 0 HG21 ILE A 34 8.880 9.523 -4.944 1.00 60.14 H new ATOM 0 HG22 ILE A 34 10.279 10.060 -5.904 1.00 60.14 H new ATOM 0 HG23 ILE A 34 10.359 10.080 -4.126 1.00 60.14 H new ATOM 0 HD11 ILE A 34 8.364 11.930 -1.586 1.00 64.22 H new ATOM 0 HD12 ILE A 34 9.444 10.734 -2.340 1.00 64.22 H new ATOM 0 HD13 ILE A 34 9.865 12.462 -2.379 1.00 64.22 H new ATOM 546 N SER A 35 12.448 12.128 -6.157 1.00 34.24 N ATOM 547 CA SER A 35 13.342 11.871 -7.296 1.00 50.41 C ATOM 548 C SER A 35 12.940 10.594 -8.036 1.00 1.53 C ATOM 549 O SER A 35 12.804 10.591 -9.262 1.00 53.12 O ATOM 550 CB SER A 35 14.804 11.766 -6.837 1.00 74.31 C ATOM 551 OG SER A 35 15.678 11.516 -7.934 1.00 22.32 O ATOM 0 H SER A 35 12.898 12.051 -5.245 1.00 34.24 H new ATOM 0 HA SER A 35 13.248 12.715 -7.979 1.00 50.41 H new ATOM 0 HB2 SER A 35 15.098 12.690 -6.340 1.00 74.31 H new ATOM 0 HB3 SER A 35 14.900 10.965 -6.104 1.00 74.31 H new ATOM 0 HG SER A 35 16.601 11.456 -7.610 1.00 22.32 H new ATOM 557 N ASP A 36 12.755 9.507 -7.292 1.00 75.12 N ATOM 558 CA ASP A 36 12.282 8.249 -7.874 1.00 41.33 C ATOM 559 C ASP A 36 11.127 7.669 -7.040 1.00 4.33 C ATOM 560 O ASP A 36 11.346 7.050 -5.994 1.00 43.02 O ATOM 561 CB ASP A 36 13.427 7.236 -7.977 1.00 65.52 C ATOM 562 CG ASP A 36 13.082 6.089 -8.912 1.00 14.44 C ATOM 563 OD1 ASP A 36 12.491 5.090 -8.452 1.00 70.04 O ATOM 564 OD2 ASP A 36 13.389 6.192 -10.117 1.00 13.02 O ATOM 0 H ASP A 36 12.924 9.469 -6.287 1.00 75.12 H new ATOM 0 HA ASP A 36 11.914 8.456 -8.879 1.00 41.33 H new ATOM 0 HB2 ASP A 36 14.326 7.738 -8.334 1.00 65.52 H new ATOM 0 HB3 ASP A 36 13.654 6.842 -6.986 1.00 65.52 H new ATOM 569 N PRO A 37 9.873 7.871 -7.486 1.00 2.12 N ATOM 570 CA PRO A 37 8.683 7.421 -6.742 1.00 70.22 C ATOM 571 C PRO A 37 8.593 5.894 -6.621 1.00 63.10 C ATOM 572 O PRO A 37 8.028 5.371 -5.658 1.00 21.23 O ATOM 573 CB PRO A 37 7.513 7.978 -7.570 1.00 74.32 C ATOM 574 CG PRO A 37 8.071 8.164 -8.941 1.00 44.13 C ATOM 575 CD PRO A 37 9.511 8.551 -8.746 1.00 63.03 C ATOM 0 HA PRO A 37 8.696 7.772 -5.710 1.00 70.22 H new ATOM 0 HB2 PRO A 37 6.669 7.288 -7.577 1.00 74.32 H new ATOM 0 HB3 PRO A 37 7.151 8.920 -7.159 1.00 74.32 H new ATOM 0 HG2 PRO A 37 7.988 7.248 -9.525 1.00 44.13 H new ATOM 0 HG3 PRO A 37 7.528 8.938 -9.483 1.00 44.13 H new ATOM 0 HD2 PRO A 37 10.134 8.219 -9.577 1.00 63.03 H new ATOM 0 HD3 PRO A 37 9.631 9.632 -8.670 1.00 63.03 H new ATOM 583 N GLU A 38 9.172 5.184 -7.587 1.00 33.15 N ATOM 584 CA GLU A 38 9.129 3.720 -7.599 1.00 3.13 C ATOM 585 C GLU A 38 9.997 3.125 -6.477 1.00 64.30 C ATOM 586 O GLU A 38 9.606 2.158 -5.818 1.00 24.35 O ATOM 587 CB GLU A 38 9.574 3.193 -8.970 1.00 10.53 C ATOM 588 CG GLU A 38 8.730 3.730 -10.123 1.00 10.31 C ATOM 589 CD GLU A 38 9.104 3.130 -11.469 1.00 73.34 C ATOM 590 OE1 GLU A 38 10.145 3.526 -12.035 1.00 42.51 O ATOM 591 OE2 GLU A 38 8.358 2.263 -11.967 1.00 60.41 O ATOM 0 H GLU A 38 9.676 5.596 -8.372 1.00 33.15 H new ATOM 0 HA GLU A 38 8.101 3.407 -7.418 1.00 3.13 H new ATOM 0 HB2 GLU A 38 10.617 3.463 -9.135 1.00 10.53 H new ATOM 0 HB3 GLU A 38 9.523 2.104 -8.967 1.00 10.53 H new ATOM 0 HG2 GLU A 38 7.679 3.526 -9.921 1.00 10.31 H new ATOM 0 HG3 GLU A 38 8.841 4.813 -10.172 1.00 10.31 H new ATOM 598 N GLY A 39 11.172 3.707 -6.261 1.00 54.03 N ATOM 599 CA GLY A 39 12.025 3.291 -5.151 1.00 72.40 C ATOM 600 C GLY A 39 11.529 3.819 -3.804 1.00 34.41 C ATOM 601 O GLY A 39 11.531 3.097 -2.800 1.00 33.42 O ATOM 0 H GLY A 39 11.553 4.461 -6.833 1.00 54.03 H new ATOM 0 HA2 GLY A 39 12.068 2.202 -5.118 1.00 72.40 H new ATOM 0 HA3 GLY A 39 13.041 3.645 -5.325 1.00 72.40 H new ATOM 605 N PHE A 40 11.091 5.083 -3.795 1.00 73.34 N ATOM 606 CA PHE A 40 10.555 5.726 -2.587 1.00 32.15 C ATOM 607 C PHE A 40 9.387 4.929 -1.983 1.00 40.13 C ATOM 608 O PHE A 40 9.435 4.533 -0.818 1.00 52.01 O ATOM 609 CB PHE A 40 10.104 7.160 -2.907 1.00 65.22 C ATOM 610 CG PHE A 40 9.444 7.870 -1.746 1.00 61.43 C ATOM 611 CD1 PHE A 40 10.201 8.358 -0.688 1.00 40.01 C ATOM 612 CD2 PHE A 40 8.064 8.044 -1.710 1.00 23.41 C ATOM 613 CE1 PHE A 40 9.597 9.002 0.376 1.00 24.21 C ATOM 614 CE2 PHE A 40 7.459 8.688 -0.647 1.00 54.44 C ATOM 615 CZ PHE A 40 8.226 9.166 0.397 1.00 1.34 C ATOM 0 H PHE A 40 11.097 5.686 -4.617 1.00 73.34 H new ATOM 0 HA PHE A 40 11.355 5.752 -1.847 1.00 32.15 H new ATOM 0 HB2 PHE A 40 10.970 7.739 -3.229 1.00 65.22 H new ATOM 0 HB3 PHE A 40 9.409 7.133 -3.746 1.00 65.22 H new ATOM 0 HD1 PHE A 40 11.274 8.233 -0.697 1.00 40.01 H new ATOM 0 HD2 PHE A 40 7.458 7.671 -2.523 1.00 23.41 H new ATOM 0 HE1 PHE A 40 10.198 9.377 1.191 1.00 24.21 H new ATOM 0 HE2 PHE A 40 6.387 8.817 -0.633 1.00 54.44 H new ATOM 0 HZ PHE A 40 7.754 9.668 1.229 1.00 1.34 H new ATOM 625 N LEU A 41 8.342 4.696 -2.779 1.00 14.12 N ATOM 626 CA LEU A 41 7.169 3.946 -2.312 1.00 21.43 C ATOM 627 C LEU A 41 7.560 2.551 -1.803 1.00 31.34 C ATOM 628 O LEU A 41 7.093 2.113 -0.755 1.00 11.41 O ATOM 629 CB LEU A 41 6.127 3.826 -3.431 1.00 24.22 C ATOM 630 CG LEU A 41 5.490 5.153 -3.882 1.00 10.41 C ATOM 631 CD1 LEU A 41 4.548 4.926 -5.063 1.00 62.12 C ATOM 632 CD2 LEU A 41 4.755 5.823 -2.720 1.00 3.33 C ATOM 0 H LEU A 41 8.281 5.013 -3.747 1.00 14.12 H new ATOM 0 HA LEU A 41 6.734 4.499 -1.480 1.00 21.43 H new ATOM 0 HB2 LEU A 41 6.598 3.356 -4.294 1.00 24.22 H new ATOM 0 HB3 LEU A 41 5.334 3.157 -3.097 1.00 24.22 H new ATOM 0 HG LEU A 41 6.287 5.821 -4.208 1.00 10.41 H new ATOM 0 HD11 LEU A 41 4.109 5.876 -5.366 1.00 62.12 H new ATOM 0 HD12 LEU A 41 5.106 4.502 -5.898 1.00 62.12 H new ATOM 0 HD13 LEU A 41 3.756 4.237 -4.769 1.00 62.12 H new ATOM 0 HD21 LEU A 41 4.312 6.759 -3.061 1.00 3.33 H new ATOM 0 HD22 LEU A 41 3.969 5.161 -2.357 1.00 3.33 H new ATOM 0 HD23 LEU A 41 5.459 6.027 -1.913 1.00 3.33 H new ATOM 644 N GLN A 42 8.436 1.870 -2.541 1.00 21.33 N ATOM 645 CA GLN A 42 8.921 0.538 -2.151 1.00 31.21 C ATOM 646 C GLN A 42 9.459 0.545 -0.709 1.00 45.52 C ATOM 647 O GLN A 42 9.159 -0.349 0.084 1.00 0.03 O ATOM 648 CB GLN A 42 10.012 0.086 -3.145 1.00 13.13 C ATOM 649 CG GLN A 42 10.464 -1.375 -3.020 1.00 12.41 C ATOM 650 CD GLN A 42 11.499 -1.613 -1.925 1.00 11.24 C ATOM 651 OE1 GLN A 42 12.698 -1.462 -2.147 1.00 30.15 O ATOM 652 NE2 GLN A 42 11.059 -2.025 -0.754 1.00 53.44 N ATOM 0 H GLN A 42 8.828 2.217 -3.416 1.00 21.33 H new ATOM 0 HA GLN A 42 8.091 -0.168 -2.183 1.00 31.21 H new ATOM 0 HB2 GLN A 42 9.644 0.247 -4.158 1.00 13.13 H new ATOM 0 HB3 GLN A 42 10.883 0.729 -3.016 1.00 13.13 H new ATOM 0 HG2 GLN A 42 9.592 -1.999 -2.823 1.00 12.41 H new ATOM 0 HG3 GLN A 42 10.879 -1.699 -3.974 1.00 12.41 H new ATOM 0 HE21 GLN A 42 10.058 -2.142 -0.598 1.00 53.44 H new ATOM 0 HE22 GLN A 42 11.719 -2.227 -0.003 1.00 53.44 H new ATOM 661 N ALA A 43 10.240 1.572 -0.372 1.00 41.45 N ATOM 662 CA ALA A 43 10.823 1.694 0.970 1.00 22.21 C ATOM 663 C ALA A 43 9.827 2.272 1.995 1.00 1.53 C ATOM 664 O ALA A 43 9.831 1.881 3.164 1.00 0.44 O ATOM 665 CB ALA A 43 12.078 2.559 0.916 1.00 21.10 C ATOM 0 H ALA A 43 10.485 2.332 -1.007 1.00 41.45 H new ATOM 0 HA ALA A 43 11.081 0.689 1.303 1.00 22.21 H new ATOM 0 HB1 ALA A 43 12.504 2.644 1.916 1.00 21.10 H new ATOM 0 HB2 ALA A 43 12.807 2.100 0.248 1.00 21.10 H new ATOM 0 HB3 ALA A 43 11.820 3.551 0.545 1.00 21.10 H new ATOM 671 N SER A 44 8.974 3.198 1.553 1.00 43.41 N ATOM 672 CA SER A 44 8.037 3.893 2.456 1.00 3.44 C ATOM 673 C SER A 44 6.765 3.072 2.722 1.00 64.12 C ATOM 674 O SER A 44 5.982 3.406 3.610 1.00 42.01 O ATOM 675 CB SER A 44 7.650 5.265 1.884 1.00 44.42 C ATOM 676 OG SER A 44 6.866 6.010 2.807 1.00 34.15 O ATOM 0 H SER A 44 8.908 3.488 0.577 1.00 43.41 H new ATOM 0 HA SER A 44 8.557 4.024 3.405 1.00 3.44 H new ATOM 0 HB2 SER A 44 8.552 5.825 1.636 1.00 44.42 H new ATOM 0 HB3 SER A 44 7.093 5.130 0.957 1.00 44.42 H new ATOM 0 HG SER A 44 6.407 5.396 3.417 1.00 34.15 H new ATOM 682 N LEU A 45 6.545 2.023 1.932 1.00 31.15 N ATOM 683 CA LEU A 45 5.398 1.120 2.131 1.00 65.22 C ATOM 684 C LEU A 45 5.843 -0.232 2.712 1.00 42.04 C ATOM 685 O LEU A 45 5.019 -1.118 2.946 1.00 35.14 O ATOM 686 CB LEU A 45 4.676 0.885 0.793 1.00 15.12 C ATOM 687 CG LEU A 45 4.110 2.145 0.111 1.00 15.40 C ATOM 688 CD1 LEU A 45 3.502 1.801 -1.249 1.00 73.15 C ATOM 689 CD2 LEU A 45 3.083 2.830 1.006 1.00 13.41 C ATOM 0 H LEU A 45 7.143 1.772 1.145 1.00 31.15 H new ATOM 0 HA LEU A 45 4.720 1.595 2.841 1.00 65.22 H new ATOM 0 HB2 LEU A 45 5.371 0.403 0.106 1.00 15.12 H new ATOM 0 HB3 LEU A 45 3.857 0.186 0.961 1.00 15.12 H new ATOM 0 HG LEU A 45 4.934 2.840 -0.053 1.00 15.40 H new ATOM 0 HD11 LEU A 45 3.109 2.706 -1.711 1.00 73.15 H new ATOM 0 HD12 LEU A 45 4.269 1.369 -1.892 1.00 73.15 H new ATOM 0 HD13 LEU A 45 2.694 1.082 -1.115 1.00 73.15 H new ATOM 0 HD21 LEU A 45 2.697 3.717 0.504 1.00 13.41 H new ATOM 0 HD22 LEU A 45 2.262 2.143 1.210 1.00 13.41 H new ATOM 0 HD23 LEU A 45 3.555 3.121 1.945 1.00 13.41 H new ATOM 701 N LYS A 46 7.146 -0.376 2.958 1.00 53.45 N ATOM 702 CA LYS A 46 7.732 -1.658 3.374 1.00 11.30 C ATOM 703 C LYS A 46 7.158 -2.157 4.714 1.00 62.34 C ATOM 704 O LYS A 46 7.098 -3.361 4.967 1.00 13.22 O ATOM 705 CB LYS A 46 9.258 -1.527 3.485 1.00 24.21 C ATOM 706 CG LYS A 46 9.985 -2.869 3.480 1.00 44.21 C ATOM 707 CD LYS A 46 11.461 -2.743 3.854 1.00 61.32 C ATOM 708 CE LYS A 46 11.644 -2.400 5.328 1.00 34.14 C ATOM 709 NZ LYS A 46 13.077 -2.394 5.726 1.00 3.43 N ATOM 0 H LYS A 46 7.822 0.383 2.876 1.00 53.45 H new ATOM 0 HA LYS A 46 7.474 -2.392 2.611 1.00 11.30 H new ATOM 0 HB2 LYS A 46 9.624 -0.921 2.656 1.00 24.21 H new ATOM 0 HB3 LYS A 46 9.503 -0.993 4.403 1.00 24.21 H new ATOM 0 HG2 LYS A 46 9.494 -3.546 4.179 1.00 44.21 H new ATOM 0 HG3 LYS A 46 9.903 -3.318 2.490 1.00 44.21 H new ATOM 0 HD2 LYS A 46 11.973 -3.679 3.632 1.00 61.32 H new ATOM 0 HD3 LYS A 46 11.927 -1.972 3.241 1.00 61.32 H new ATOM 0 HE2 LYS A 46 11.208 -1.421 5.529 1.00 34.14 H new ATOM 0 HE3 LYS A 46 11.102 -3.122 5.938 1.00 34.14 H new ATOM 0 HZ1 LYS A 46 13.156 -2.156 6.735 1.00 3.43 H new ATOM 0 HZ2 LYS A 46 13.488 -3.335 5.559 1.00 3.43 H new ATOM 0 HZ3 LYS A 46 13.591 -1.687 5.163 1.00 3.43 H new ATOM 723 N ASP A 47 6.748 -1.226 5.570 1.00 50.51 N ATOM 724 CA ASP A 47 6.184 -1.568 6.880 1.00 73.41 C ATOM 725 C ASP A 47 4.798 -2.225 6.759 1.00 23.25 C ATOM 726 O ASP A 47 4.349 -2.921 7.673 1.00 22.13 O ATOM 727 CB ASP A 47 6.092 -0.309 7.743 1.00 33.23 C ATOM 728 CG ASP A 47 5.314 0.799 7.051 1.00 64.10 C ATOM 729 OD1 ASP A 47 5.920 1.534 6.249 1.00 14.12 O ATOM 730 OD2 ASP A 47 4.098 0.933 7.304 1.00 41.41 O ATOM 0 H ASP A 47 6.794 -0.224 5.383 1.00 50.51 H new ATOM 0 HA ASP A 47 6.848 -2.293 7.350 1.00 73.41 H new ATOM 0 HB2 ASP A 47 5.611 -0.553 8.690 1.00 33.23 H new ATOM 0 HB3 ASP A 47 7.096 0.045 7.977 1.00 33.23 H new ATOM 735 N GLY A 48 4.117 -1.981 5.638 1.00 12.31 N ATOM 736 CA GLY A 48 2.787 -2.543 5.415 1.00 61.14 C ATOM 737 C GLY A 48 1.669 -1.779 6.128 1.00 14.34 C ATOM 738 O GLY A 48 0.513 -1.808 5.694 1.00 44.32 O ATOM 0 H GLY A 48 4.464 -1.400 4.874 1.00 12.31 H new ATOM 0 HA2 GLY A 48 2.582 -2.554 4.345 1.00 61.14 H new ATOM 0 HA3 GLY A 48 2.779 -3.580 5.752 1.00 61.14 H new ATOM 742 N VAL A 49 2.008 -1.087 7.218 1.00 62.34 N ATOM 743 CA VAL A 49 1.021 -0.338 8.005 1.00 22.35 C ATOM 744 C VAL A 49 0.400 0.792 7.171 1.00 4.30 C ATOM 745 O VAL A 49 -0.804 1.040 7.241 1.00 45.34 O ATOM 746 CB VAL A 49 1.644 0.256 9.294 1.00 53.10 C ATOM 747 CG1 VAL A 49 0.577 0.928 10.156 1.00 30.24 C ATOM 748 CG2 VAL A 49 2.384 -0.823 10.082 1.00 43.15 C ATOM 0 H VAL A 49 2.961 -1.029 7.578 1.00 62.34 H new ATOM 0 HA VAL A 49 0.243 -1.045 8.293 1.00 22.35 H new ATOM 0 HB VAL A 49 2.367 1.018 9.002 1.00 53.10 H new ATOM 0 HG11 VAL A 49 1.039 1.337 11.054 1.00 30.24 H new ATOM 0 HG12 VAL A 49 0.107 1.733 9.591 1.00 30.24 H new ATOM 0 HG13 VAL A 49 -0.178 0.194 10.438 1.00 30.24 H new ATOM 0 HG21 VAL A 49 2.814 -0.385 10.983 1.00 43.15 H new ATOM 0 HG22 VAL A 49 1.687 -1.613 10.360 1.00 43.15 H new ATOM 0 HG23 VAL A 49 3.180 -1.241 9.466 1.00 43.15 H new ATOM 758 N VAL A 50 1.228 1.472 6.373 1.00 43.22 N ATOM 759 CA VAL A 50 0.736 2.502 5.448 1.00 2.11 C ATOM 760 C VAL A 50 -0.325 1.923 4.496 1.00 31.21 C ATOM 761 O VAL A 50 -1.326 2.575 4.192 1.00 52.41 O ATOM 762 CB VAL A 50 1.882 3.127 4.614 1.00 1.51 C ATOM 763 CG1 VAL A 50 1.351 4.252 3.723 1.00 22.31 C ATOM 764 CG2 VAL A 50 2.999 3.641 5.519 1.00 53.35 C ATOM 0 H VAL A 50 2.238 1.330 6.347 1.00 43.22 H new ATOM 0 HA VAL A 50 0.289 3.285 6.061 1.00 2.11 H new ATOM 0 HB VAL A 50 2.296 2.348 3.974 1.00 1.51 H new ATOM 0 HG11 VAL A 50 2.172 4.677 3.146 1.00 22.31 H new ATOM 0 HG12 VAL A 50 0.598 3.853 3.043 1.00 22.31 H new ATOM 0 HG13 VAL A 50 0.904 5.028 4.344 1.00 22.31 H new ATOM 0 HG21 VAL A 50 3.791 4.075 4.909 1.00 53.35 H new ATOM 0 HG22 VAL A 50 2.602 4.401 6.192 1.00 53.35 H new ATOM 0 HG23 VAL A 50 3.403 2.815 6.104 1.00 53.35 H new ATOM 774 N LEU A 51 -0.104 0.688 4.043 1.00 12.00 N ATOM 775 CA LEU A 51 -1.072 -0.011 3.191 1.00 3.01 C ATOM 776 C LEU A 51 -2.387 -0.251 3.942 1.00 15.55 C ATOM 777 O LEU A 51 -3.474 -0.052 3.397 1.00 50.51 O ATOM 778 CB LEU A 51 -0.501 -1.353 2.717 1.00 72.32 C ATOM 779 CG LEU A 51 0.761 -1.273 1.847 1.00 1.24 C ATOM 780 CD1 LEU A 51 1.225 -2.673 1.457 1.00 33.33 C ATOM 781 CD2 LEU A 51 0.514 -0.414 0.607 1.00 24.21 C ATOM 0 H LEU A 51 0.737 0.149 4.251 1.00 12.00 H new ATOM 0 HA LEU A 51 -1.271 0.620 2.325 1.00 3.01 H new ATOM 0 HB2 LEU A 51 -0.277 -1.961 3.594 1.00 72.32 H new ATOM 0 HB3 LEU A 51 -1.274 -1.877 2.155 1.00 72.32 H new ATOM 0 HG LEU A 51 1.551 -0.799 2.429 1.00 1.24 H new ATOM 0 HD11 LEU A 51 2.121 -2.601 0.840 1.00 33.33 H new ATOM 0 HD12 LEU A 51 1.449 -3.246 2.357 1.00 33.33 H new ATOM 0 HD13 LEU A 51 0.437 -3.174 0.895 1.00 33.33 H new ATOM 0 HD21 LEU A 51 1.423 -0.372 0.006 1.00 24.21 H new ATOM 0 HD22 LEU A 51 -0.292 -0.850 0.017 1.00 24.21 H new ATOM 0 HD23 LEU A 51 0.235 0.594 0.913 1.00 24.21 H new ATOM 793 N CYS A 52 -2.280 -0.685 5.199 1.00 74.52 N ATOM 794 CA CYS A 52 -3.460 -0.895 6.047 1.00 24.21 C ATOM 795 C CYS A 52 -4.241 0.411 6.237 1.00 1.14 C ATOM 796 O CYS A 52 -5.466 0.428 6.145 1.00 33.12 O ATOM 797 CB CYS A 52 -3.049 -1.467 7.407 1.00 73.24 C ATOM 798 SG CYS A 52 -2.225 -3.074 7.310 1.00 22.45 S ATOM 0 H CYS A 52 -1.392 -0.898 5.653 1.00 74.52 H new ATOM 0 HA CYS A 52 -4.110 -1.612 5.546 1.00 24.21 H new ATOM 0 HB2 CYS A 52 -2.385 -0.759 7.902 1.00 73.24 H new ATOM 0 HB3 CYS A 52 -3.936 -1.562 8.033 1.00 73.24 H new ATOM 0 HG CYS A 52 -1.080 -2.939 6.709 1.00 22.45 H new ATOM 804 N ARG A 53 -3.521 1.506 6.495 1.00 43.42 N ATOM 805 CA ARG A 53 -4.134 2.841 6.579 1.00 41.35 C ATOM 806 C ARG A 53 -4.881 3.184 5.280 1.00 62.52 C ATOM 807 O ARG A 53 -6.014 3.666 5.308 1.00 11.43 O ATOM 808 CB ARG A 53 -3.061 3.908 6.844 1.00 34.21 C ATOM 809 CG ARG A 53 -2.311 3.737 8.162 1.00 1.34 C ATOM 810 CD ARG A 53 -1.198 4.771 8.312 1.00 11.12 C ATOM 811 NE ARG A 53 -0.478 4.634 9.581 1.00 13.25 N ATOM 812 CZ ARG A 53 0.823 4.544 9.687 1.00 64.32 C ATOM 813 NH1 ARG A 53 1.572 4.519 8.630 1.00 65.04 N ATOM 814 NH2 ARG A 53 1.370 4.480 10.854 1.00 25.15 N ATOM 0 H ARG A 53 -2.513 1.498 6.650 1.00 43.42 H new ATOM 0 HA ARG A 53 -4.846 2.829 7.404 1.00 41.35 H new ATOM 0 HB2 ARG A 53 -2.341 3.892 6.026 1.00 34.21 H new ATOM 0 HB3 ARG A 53 -3.533 4.890 6.834 1.00 34.21 H new ATOM 0 HG2 ARG A 53 -3.009 3.830 8.994 1.00 1.34 H new ATOM 0 HG3 ARG A 53 -1.886 2.734 8.213 1.00 1.34 H new ATOM 0 HD2 ARG A 53 -0.495 4.667 7.485 1.00 11.12 H new ATOM 0 HD3 ARG A 53 -1.624 5.772 8.245 1.00 11.12 H new ATOM 0 HE ARG A 53 -1.028 4.607 10.439 1.00 13.25 H new ATOM 0 HH11 ARG A 53 1.148 4.570 7.703 1.00 65.04 H new ATOM 0 HH12 ARG A 53 2.585 4.449 8.724 1.00 65.04 H new ATOM 0 HH21 ARG A 53 0.788 4.500 11.692 1.00 25.15 H new ATOM 0 HH22 ARG A 53 2.384 4.410 10.939 1.00 25.15 H new ATOM 828 N LEU A 54 -4.227 2.929 4.147 1.00 1.14 N ATOM 829 CA LEU A 54 -4.817 3.166 2.824 1.00 11.33 C ATOM 830 C LEU A 54 -6.143 2.407 2.652 1.00 13.32 C ATOM 831 O LEU A 54 -7.177 3.000 2.323 1.00 53.34 O ATOM 832 CB LEU A 54 -3.824 2.744 1.730 1.00 3.31 C ATOM 833 CG LEU A 54 -4.316 2.906 0.281 1.00 33.44 C ATOM 834 CD1 LEU A 54 -4.652 4.365 -0.022 1.00 74.43 C ATOM 835 CD2 LEU A 54 -3.271 2.375 -0.698 1.00 43.32 C ATOM 0 H LEU A 54 -3.279 2.554 4.117 1.00 1.14 H new ATOM 0 HA LEU A 54 -5.030 4.231 2.735 1.00 11.33 H new ATOM 0 HB2 LEU A 54 -2.910 3.326 1.851 1.00 3.31 H new ATOM 0 HB3 LEU A 54 -3.559 1.699 1.889 1.00 3.31 H new ATOM 0 HG LEU A 54 -5.228 2.322 0.162 1.00 33.44 H new ATOM 0 HD11 LEU A 54 -4.997 4.452 -1.052 1.00 74.43 H new ATOM 0 HD12 LEU A 54 -5.436 4.706 0.654 1.00 74.43 H new ATOM 0 HD13 LEU A 54 -3.762 4.979 0.116 1.00 74.43 H new ATOM 0 HD21 LEU A 54 -3.634 2.497 -1.719 1.00 43.32 H new ATOM 0 HD22 LEU A 54 -2.341 2.931 -0.575 1.00 43.32 H new ATOM 0 HD23 LEU A 54 -3.091 1.318 -0.500 1.00 43.32 H new ATOM 847 N LEU A 55 -6.108 1.099 2.888 1.00 73.04 N ATOM 848 CA LEU A 55 -7.299 0.256 2.748 1.00 33.34 C ATOM 849 C LEU A 55 -8.372 0.621 3.790 1.00 52.13 C ATOM 850 O LEU A 55 -9.563 0.581 3.500 1.00 73.00 O ATOM 851 CB LEU A 55 -6.916 -1.227 2.867 1.00 75.11 C ATOM 852 CG LEU A 55 -8.048 -2.227 2.581 1.00 35.34 C ATOM 853 CD1 LEU A 55 -8.647 -1.991 1.196 1.00 24.24 C ATOM 854 CD2 LEU A 55 -7.537 -3.660 2.706 1.00 23.23 C ATOM 0 H LEU A 55 -5.269 0.596 3.177 1.00 73.04 H new ATOM 0 HA LEU A 55 -7.723 0.434 1.760 1.00 33.34 H new ATOM 0 HB2 LEU A 55 -6.094 -1.428 2.180 1.00 75.11 H new ATOM 0 HB3 LEU A 55 -6.541 -1.408 3.874 1.00 75.11 H new ATOM 0 HG LEU A 55 -8.834 -2.072 3.320 1.00 35.34 H new ATOM 0 HD11 LEU A 55 -9.446 -2.711 1.017 1.00 24.24 H new ATOM 0 HD12 LEU A 55 -9.051 -0.980 1.142 1.00 24.24 H new ATOM 0 HD13 LEU A 55 -7.872 -2.113 0.439 1.00 24.24 H new ATOM 0 HD21 LEU A 55 -8.351 -4.356 2.501 1.00 23.23 H new ATOM 0 HD22 LEU A 55 -6.731 -3.823 1.990 1.00 23.23 H new ATOM 0 HD23 LEU A 55 -7.164 -3.826 3.717 1.00 23.23 H new ATOM 866 N GLU A 56 -7.940 0.994 4.993 1.00 75.15 N ATOM 867 CA GLU A 56 -8.861 1.432 6.054 1.00 43.12 C ATOM 868 C GLU A 56 -9.466 2.816 5.759 1.00 13.00 C ATOM 869 O GLU A 56 -10.510 3.176 6.308 1.00 74.22 O ATOM 870 CB GLU A 56 -8.136 1.456 7.410 1.00 22.41 C ATOM 871 CG GLU A 56 -8.044 0.097 8.096 1.00 64.23 C ATOM 872 CD GLU A 56 -9.402 -0.414 8.558 1.00 53.11 C ATOM 873 OE1 GLU A 56 -10.015 0.236 9.429 1.00 75.24 O ATOM 874 OE2 GLU A 56 -9.867 -1.454 8.052 1.00 21.11 O ATOM 0 H GLU A 56 -6.957 1.004 5.263 1.00 75.15 H new ATOM 0 HA GLU A 56 -9.680 0.714 6.090 1.00 43.12 H new ATOM 0 HB2 GLU A 56 -7.128 1.845 7.263 1.00 22.41 H new ATOM 0 HB3 GLU A 56 -8.652 2.150 8.073 1.00 22.41 H new ATOM 0 HG2 GLU A 56 -7.602 -0.625 7.409 1.00 64.23 H new ATOM 0 HG3 GLU A 56 -7.376 0.171 8.954 1.00 64.23 H new ATOM 881 N ARG A 57 -8.799 3.594 4.912 1.00 3.33 N ATOM 882 CA ARG A 57 -9.314 4.903 4.492 1.00 63.32 C ATOM 883 C ARG A 57 -10.436 4.739 3.453 1.00 60.44 C ATOM 884 O ARG A 57 -11.523 5.307 3.589 1.00 12.01 O ATOM 885 CB ARG A 57 -8.177 5.750 3.898 1.00 63.23 C ATOM 886 CG ARG A 57 -8.586 7.175 3.522 1.00 53.41 C ATOM 887 CD ARG A 57 -8.944 8.005 4.750 1.00 31.13 C ATOM 888 NE ARG A 57 -9.331 9.373 4.398 1.00 50.41 N ATOM 889 CZ ARG A 57 -9.185 10.404 5.187 1.00 44.23 C ATOM 890 NH1 ARG A 57 -8.629 10.272 6.348 1.00 3.33 N ATOM 891 NH2 ARG A 57 -9.585 11.571 4.812 1.00 33.14 N ATOM 0 H ARG A 57 -7.900 3.345 4.500 1.00 3.33 H new ATOM 0 HA ARG A 57 -9.721 5.408 5.368 1.00 63.32 H new ATOM 0 HB2 ARG A 57 -7.360 5.797 4.618 1.00 63.23 H new ATOM 0 HB3 ARG A 57 -7.791 5.249 3.010 1.00 63.23 H new ATOM 0 HG2 ARG A 57 -7.770 7.657 2.983 1.00 53.41 H new ATOM 0 HG3 ARG A 57 -9.439 7.141 2.845 1.00 53.41 H new ATOM 0 HD2 ARG A 57 -9.762 7.524 5.286 1.00 31.13 H new ATOM 0 HD3 ARG A 57 -8.092 8.033 5.429 1.00 31.13 H new ATOM 0 HE ARG A 57 -9.741 9.531 3.477 1.00 50.41 H new ATOM 0 HH11 ARG A 57 -8.300 9.357 6.655 1.00 3.33 H new ATOM 0 HH12 ARG A 57 -8.520 11.083 6.956 1.00 3.33 H new ATOM 0 HH21 ARG A 57 -10.017 11.692 3.896 1.00 33.14 H new ATOM 0 HH22 ARG A 57 -9.469 12.373 5.431 1.00 33.14 H new ATOM 905 N LEU A 58 -10.151 3.959 2.415 1.00 75.55 N ATOM 906 CA LEU A 58 -11.106 3.716 1.327 1.00 73.04 C ATOM 907 C LEU A 58 -12.193 2.707 1.743 1.00 23.34 C ATOM 908 O LEU A 58 -13.370 2.866 1.406 1.00 2.04 O ATOM 909 CB LEU A 58 -10.342 3.213 0.094 1.00 41.25 C ATOM 910 CG LEU A 58 -9.176 4.119 -0.349 1.00 12.13 C ATOM 911 CD1 LEU A 58 -8.405 3.495 -1.507 1.00 54.24 C ATOM 912 CD2 LEU A 58 -9.682 5.511 -0.725 1.00 75.51 C ATOM 0 H LEU A 58 -9.259 3.478 2.300 1.00 75.55 H new ATOM 0 HA LEU A 58 -11.613 4.651 1.089 1.00 73.04 H new ATOM 0 HB2 LEU A 58 -9.952 2.217 0.305 1.00 41.25 H new ATOM 0 HB3 LEU A 58 -11.042 3.112 -0.735 1.00 41.25 H new ATOM 0 HG LEU A 58 -8.493 4.220 0.494 1.00 12.13 H new ATOM 0 HD11 LEU A 58 -7.589 4.156 -1.799 1.00 54.24 H new ATOM 0 HD12 LEU A 58 -7.999 2.532 -1.197 1.00 54.24 H new ATOM 0 HD13 LEU A 58 -9.075 3.351 -2.354 1.00 54.24 H new ATOM 0 HD21 LEU A 58 -8.842 6.132 -1.034 1.00 75.51 H new ATOM 0 HD22 LEU A 58 -10.395 5.430 -1.546 1.00 75.51 H new ATOM 0 HD23 LEU A 58 -10.171 5.965 0.137 1.00 75.51 H new ATOM 924 N LEU A 59 -11.789 1.673 2.475 1.00 54.35 N ATOM 925 CA LEU A 59 -12.717 0.660 3.002 1.00 24.42 C ATOM 926 C LEU A 59 -12.529 0.483 4.525 1.00 74.24 C ATOM 927 O LEU A 59 -11.830 -0.428 4.973 1.00 4.33 O ATOM 928 CB LEU A 59 -12.504 -0.688 2.289 1.00 42.40 C ATOM 929 CG LEU A 59 -12.833 -0.714 0.788 1.00 22.43 C ATOM 930 CD1 LEU A 59 -12.425 -2.051 0.175 1.00 10.24 C ATOM 931 CD2 LEU A 59 -14.319 -0.453 0.557 1.00 3.45 C ATOM 0 H LEU A 59 -10.813 1.508 2.723 1.00 54.35 H new ATOM 0 HA LEU A 59 -13.734 1.004 2.814 1.00 24.42 H new ATOM 0 HB2 LEU A 59 -11.463 -0.984 2.418 1.00 42.40 H new ATOM 0 HB3 LEU A 59 -13.114 -1.441 2.788 1.00 42.40 H new ATOM 0 HG LEU A 59 -12.266 0.079 0.300 1.00 22.43 H new ATOM 0 HD11 LEU A 59 -12.665 -2.052 -0.888 1.00 10.24 H new ATOM 0 HD12 LEU A 59 -11.353 -2.199 0.305 1.00 10.24 H new ATOM 0 HD13 LEU A 59 -12.965 -2.858 0.670 1.00 10.24 H new ATOM 0 HD21 LEU A 59 -14.531 -0.476 -0.512 1.00 3.45 H new ATOM 0 HD22 LEU A 59 -14.906 -1.222 1.059 1.00 3.45 H new ATOM 0 HD23 LEU A 59 -14.583 0.525 0.958 1.00 3.45 H new ATOM 943 N PRO A 60 -13.138 1.367 5.344 1.00 53.21 N ATOM 944 CA PRO A 60 -13.008 1.311 6.815 1.00 44.33 C ATOM 945 C PRO A 60 -13.623 0.038 7.428 1.00 23.41 C ATOM 946 O PRO A 60 -14.812 -0.249 7.242 1.00 10.51 O ATOM 947 CB PRO A 60 -13.760 2.567 7.288 1.00 33.13 C ATOM 948 CG PRO A 60 -14.693 2.898 6.170 1.00 51.15 C ATOM 949 CD PRO A 60 -13.982 2.494 4.908 1.00 32.24 C ATOM 0 HA PRO A 60 -11.964 1.281 7.126 1.00 44.33 H new ATOM 0 HB2 PRO A 60 -14.304 2.377 8.214 1.00 33.13 H new ATOM 0 HB3 PRO A 60 -13.072 3.389 7.485 1.00 33.13 H new ATOM 0 HG2 PRO A 60 -15.636 2.362 6.276 1.00 51.15 H new ATOM 0 HG3 PRO A 60 -14.931 3.962 6.161 1.00 51.15 H new ATOM 0 HD2 PRO A 60 -14.683 2.194 4.129 1.00 32.24 H new ATOM 0 HD3 PRO A 60 -13.385 3.311 4.503 1.00 32.24 H new ATOM 957 N GLY A 61 -12.811 -0.718 8.164 1.00 60.13 N ATOM 958 CA GLY A 61 -13.278 -1.966 8.761 1.00 43.11 C ATOM 959 C GLY A 61 -13.058 -3.170 7.855 1.00 30.04 C ATOM 960 O GLY A 61 -13.892 -4.075 7.788 1.00 72.11 O ATOM 0 H GLY A 61 -11.836 -0.491 8.360 1.00 60.13 H new ATOM 0 HA2 GLY A 61 -12.759 -2.128 9.706 1.00 43.11 H new ATOM 0 HA3 GLY A 61 -14.340 -1.879 8.991 1.00 43.11 H new ATOM 964 N THR A 62 -11.933 -3.175 7.146 1.00 65.35 N ATOM 965 CA THR A 62 -11.569 -4.295 6.263 1.00 24.43 C ATOM 966 C THR A 62 -10.328 -5.031 6.785 1.00 53.03 C ATOM 967 O THR A 62 -10.181 -6.239 6.593 1.00 20.11 O ATOM 968 CB THR A 62 -11.316 -3.820 4.809 1.00 22.43 C ATOM 969 OG1 THR A 62 -12.460 -3.100 4.327 1.00 2.14 O ATOM 970 CG2 THR A 62 -11.044 -4.996 3.877 1.00 61.41 C ATOM 0 H THR A 62 -11.251 -2.417 7.161 1.00 65.35 H new ATOM 0 HA THR A 62 -12.416 -4.981 6.260 1.00 24.43 H new ATOM 0 HB THR A 62 -10.438 -3.174 4.819 1.00 22.43 H new ATOM 0 HG1 THR A 62 -12.397 -2.162 4.604 1.00 2.14 H new ATOM 0 HG21 THR A 62 -10.871 -4.627 2.866 1.00 61.41 H new ATOM 0 HG22 THR A 62 -10.163 -5.537 4.221 1.00 61.41 H new ATOM 0 HG23 THR A 62 -11.904 -5.666 3.876 1.00 61.41 H new ATOM 978 N ILE A 63 -9.434 -4.296 7.442 1.00 64.33 N ATOM 979 CA ILE A 63 -8.265 -4.896 8.092 1.00 24.43 C ATOM 980 C ILE A 63 -8.670 -5.535 9.430 1.00 13.34 C ATOM 981 O ILE A 63 -9.189 -4.855 10.318 1.00 1.13 O ATOM 982 CB ILE A 63 -7.153 -3.843 8.342 1.00 21.54 C ATOM 983 CG1 ILE A 63 -6.728 -3.176 7.020 1.00 11.14 C ATOM 984 CG2 ILE A 63 -5.946 -4.481 9.033 1.00 21.43 C ATOM 985 CD1 ILE A 63 -6.119 -4.133 6.014 1.00 73.11 C ATOM 0 H ILE A 63 -9.494 -3.283 7.540 1.00 64.33 H new ATOM 0 HA ILE A 63 -7.873 -5.661 7.422 1.00 24.43 H new ATOM 0 HB ILE A 63 -7.557 -3.074 9.001 1.00 21.54 H new ATOM 0 HG12 ILE A 63 -7.598 -2.698 6.570 1.00 11.14 H new ATOM 0 HG13 ILE A 63 -6.008 -2.387 7.238 1.00 11.14 H new ATOM 0 HG21 ILE A 63 -5.179 -3.724 9.198 1.00 21.43 H new ATOM 0 HG22 ILE A 63 -6.255 -4.900 9.991 1.00 21.43 H new ATOM 0 HG23 ILE A 63 -5.543 -5.274 8.403 1.00 21.43 H new ATOM 0 HD11 ILE A 63 -5.846 -3.587 5.111 1.00 73.11 H new ATOM 0 HD12 ILE A 63 -5.229 -4.593 6.442 1.00 73.11 H new ATOM 0 HD13 ILE A 63 -6.844 -4.908 5.764 1.00 73.11 H new ATOM 997 N GLU A 64 -8.437 -6.837 9.574 1.00 50.23 N ATOM 998 CA GLU A 64 -8.864 -7.570 10.772 1.00 62.11 C ATOM 999 C GLU A 64 -7.810 -7.493 11.886 1.00 70.12 C ATOM 1000 O GLU A 64 -8.144 -7.330 13.064 1.00 35.05 O ATOM 1001 CB GLU A 64 -9.159 -9.033 10.417 1.00 24.13 C ATOM 1002 CG GLU A 64 -9.738 -9.847 11.571 1.00 25.22 C ATOM 1003 CD GLU A 64 -10.109 -11.262 11.155 1.00 2.05 C ATOM 1004 OE1 GLU A 64 -11.209 -11.449 10.587 1.00 22.14 O ATOM 1005 OE2 GLU A 64 -9.301 -12.189 11.387 1.00 1.34 O ATOM 0 H GLU A 64 -7.956 -7.409 8.880 1.00 50.23 H new ATOM 0 HA GLU A 64 -9.774 -7.101 11.145 1.00 62.11 H new ATOM 0 HB2 GLU A 64 -9.858 -9.060 9.581 1.00 24.13 H new ATOM 0 HB3 GLU A 64 -8.238 -9.507 10.078 1.00 24.13 H new ATOM 0 HG2 GLU A 64 -9.012 -9.889 12.383 1.00 25.22 H new ATOM 0 HG3 GLU A 64 -10.622 -9.342 11.960 1.00 25.22 H new ATOM 1012 N LYS A 65 -6.538 -7.612 11.514 1.00 14.03 N ATOM 1013 CA LYS A 65 -5.445 -7.504 12.485 1.00 33.41 C ATOM 1014 C LYS A 65 -4.178 -6.911 11.858 1.00 34.43 C ATOM 1015 O LYS A 65 -3.626 -7.460 10.905 1.00 25.03 O ATOM 1016 CB LYS A 65 -5.119 -8.870 13.098 1.00 51.25 C ATOM 1017 CG LYS A 65 -4.014 -8.801 14.144 1.00 64.43 C ATOM 1018 CD LYS A 65 -3.713 -10.162 14.751 1.00 64.00 C ATOM 1019 CE LYS A 65 -2.689 -10.053 15.874 1.00 41.40 C ATOM 1020 NZ LYS A 65 -3.122 -9.099 16.931 1.00 13.32 N ATOM 0 H LYS A 65 -6.237 -7.782 10.554 1.00 14.03 H new ATOM 0 HA LYS A 65 -5.788 -6.829 13.269 1.00 33.41 H new ATOM 0 HB2 LYS A 65 -6.019 -9.282 13.554 1.00 51.25 H new ATOM 0 HB3 LYS A 65 -4.820 -9.556 12.306 1.00 51.25 H new ATOM 0 HG2 LYS A 65 -3.109 -8.400 13.688 1.00 64.43 H new ATOM 0 HG3 LYS A 65 -4.306 -8.109 14.934 1.00 64.43 H new ATOM 0 HD2 LYS A 65 -4.633 -10.602 15.136 1.00 64.00 H new ATOM 0 HD3 LYS A 65 -3.338 -10.833 13.978 1.00 64.00 H new ATOM 0 HE2 LYS A 65 -2.529 -11.036 16.316 1.00 41.40 H new ATOM 0 HE3 LYS A 65 -1.733 -9.729 15.463 1.00 41.40 H new ATOM 0 HZ1 LYS A 65 -2.576 -9.271 17.799 1.00 13.32 H new ATOM 0 HZ2 LYS A 65 -2.959 -8.124 16.607 1.00 13.32 H new ATOM 0 HZ3 LYS A 65 -4.135 -9.234 17.127 1.00 13.32 H new ATOM 1034 N VAL A 66 -3.701 -5.815 12.433 1.00 10.13 N ATOM 1035 CA VAL A 66 -2.518 -5.115 11.924 1.00 14.42 C ATOM 1036 C VAL A 66 -1.549 -4.765 13.064 1.00 62.34 C ATOM 1037 O VAL A 66 -1.967 -4.536 14.202 1.00 32.54 O ATOM 1038 CB VAL A 66 -2.912 -3.816 11.169 1.00 73.21 C ATOM 1039 CG1 VAL A 66 -3.614 -2.833 12.104 1.00 30.34 C ATOM 1040 CG2 VAL A 66 -1.693 -3.166 10.514 1.00 21.13 C ATOM 0 H VAL A 66 -4.116 -5.385 13.259 1.00 10.13 H new ATOM 0 HA VAL A 66 -2.022 -5.792 11.228 1.00 14.42 H new ATOM 0 HB VAL A 66 -3.610 -4.090 10.378 1.00 73.21 H new ATOM 0 HG11 VAL A 66 -3.880 -1.932 11.551 1.00 30.34 H new ATOM 0 HG12 VAL A 66 -4.518 -3.293 12.504 1.00 30.34 H new ATOM 0 HG13 VAL A 66 -2.946 -2.572 12.925 1.00 30.34 H new ATOM 0 HG21 VAL A 66 -2.000 -2.259 9.993 1.00 21.13 H new ATOM 0 HG22 VAL A 66 -0.960 -2.914 11.280 1.00 21.13 H new ATOM 0 HG23 VAL A 66 -1.249 -3.861 9.801 1.00 21.13 H new ATOM 1050 N TYR A 67 -0.257 -4.738 12.753 1.00 23.14 N ATOM 1051 CA TYR A 67 0.777 -4.387 13.732 1.00 12.34 C ATOM 1052 C TYR A 67 1.197 -2.915 13.586 1.00 23.44 C ATOM 1053 O TYR A 67 1.958 -2.565 12.681 1.00 1.33 O ATOM 1054 CB TYR A 67 1.994 -5.305 13.559 1.00 62.01 C ATOM 1055 CG TYR A 67 1.665 -6.779 13.732 1.00 75.23 C ATOM 1056 CD1 TYR A 67 1.226 -7.548 12.659 1.00 24.41 C ATOM 1057 CD2 TYR A 67 1.793 -7.399 14.970 1.00 25.23 C ATOM 1058 CE1 TYR A 67 0.922 -8.887 12.816 1.00 13.43 C ATOM 1059 CE2 TYR A 67 1.492 -8.735 15.133 1.00 62.14 C ATOM 1060 CZ TYR A 67 1.059 -9.475 14.055 1.00 64.23 C ATOM 1061 OH TYR A 67 0.760 -10.809 14.219 1.00 54.22 O ATOM 0 H TYR A 67 0.105 -4.956 11.825 1.00 23.14 H new ATOM 0 HA TYR A 67 0.364 -4.524 14.732 1.00 12.34 H new ATOM 0 HB2 TYR A 67 2.420 -5.149 12.568 1.00 62.01 H new ATOM 0 HB3 TYR A 67 2.759 -5.023 14.283 1.00 62.01 H new ATOM 0 HD1 TYR A 67 1.121 -7.091 11.686 1.00 24.41 H new ATOM 0 HD2 TYR A 67 2.134 -6.824 15.819 1.00 25.23 H new ATOM 0 HE1 TYR A 67 0.579 -9.469 11.973 1.00 13.43 H new ATOM 0 HE2 TYR A 67 1.595 -9.199 16.103 1.00 62.14 H new ATOM 0 HH TYR A 67 0.911 -11.066 15.153 1.00 54.22 H new ATOM 1071 N PRO A 68 0.705 -2.028 14.477 1.00 33.22 N ATOM 1072 CA PRO A 68 0.993 -0.582 14.398 1.00 73.23 C ATOM 1073 C PRO A 68 2.449 -0.242 14.752 1.00 4.20 C ATOM 1074 O PRO A 68 2.910 0.885 14.536 1.00 2.44 O ATOM 1075 CB PRO A 68 0.021 0.023 15.418 1.00 44.13 C ATOM 1076 CG PRO A 68 -0.231 -1.070 16.404 1.00 71.33 C ATOM 1077 CD PRO A 68 -0.165 -2.358 15.626 1.00 44.23 C ATOM 0 HA PRO A 68 0.867 -0.195 13.387 1.00 73.23 H new ATOM 0 HB2 PRO A 68 0.451 0.900 15.902 1.00 44.13 H new ATOM 0 HB3 PRO A 68 -0.904 0.345 14.940 1.00 44.13 H new ATOM 0 HG2 PRO A 68 0.514 -1.057 17.199 1.00 71.33 H new ATOM 0 HG3 PRO A 68 -1.205 -0.950 16.878 1.00 71.33 H new ATOM 0 HD2 PRO A 68 0.253 -3.167 16.225 1.00 44.23 H new ATOM 0 HD3 PRO A 68 -1.154 -2.680 15.300 1.00 44.23 H new ATOM 1085 N GLU A 69 3.161 -1.220 15.299 1.00 51.33 N ATOM 1086 CA GLU A 69 4.585 -1.079 15.615 1.00 61.11 C ATOM 1087 C GLU A 69 5.359 -2.351 15.222 1.00 55.24 C ATOM 1088 O GLU A 69 5.734 -3.156 16.077 1.00 34.14 O ATOM 1089 CB GLU A 69 4.767 -0.764 17.109 1.00 43.30 C ATOM 1090 CG GLU A 69 4.054 -1.742 18.040 1.00 15.42 C ATOM 1091 CD GLU A 69 4.230 -1.391 19.506 1.00 62.45 C ATOM 1092 OE1 GLU A 69 5.261 -1.779 20.097 1.00 3.42 O ATOM 1093 OE2 GLU A 69 3.344 -0.715 20.073 1.00 31.25 O ATOM 0 H GLU A 69 2.773 -2.133 15.537 1.00 51.33 H new ATOM 0 HA GLU A 69 4.991 -0.249 15.036 1.00 61.11 H new ATOM 0 HB2 GLU A 69 5.832 -0.765 17.343 1.00 43.30 H new ATOM 0 HB3 GLU A 69 4.399 0.243 17.305 1.00 43.30 H new ATOM 0 HG2 GLU A 69 2.991 -1.757 17.799 1.00 15.42 H new ATOM 0 HG3 GLU A 69 4.435 -2.748 17.863 1.00 15.42 H new ATOM 1100 N PRO A 70 5.595 -2.555 13.910 1.00 2.04 N ATOM 1101 CA PRO A 70 6.254 -3.772 13.405 1.00 2.05 C ATOM 1102 C PRO A 70 7.719 -3.890 13.860 1.00 65.31 C ATOM 1103 O PRO A 70 8.606 -3.198 13.351 1.00 41.04 O ATOM 1104 CB PRO A 70 6.151 -3.628 11.878 1.00 71.23 C ATOM 1105 CG PRO A 70 6.014 -2.161 11.642 1.00 21.40 C ATOM 1106 CD PRO A 70 5.248 -1.622 12.820 1.00 32.34 C ATOM 0 HA PRO A 70 5.783 -4.678 13.786 1.00 2.05 H new ATOM 0 HB2 PRO A 70 7.036 -4.027 11.382 1.00 71.23 H new ATOM 0 HB3 PRO A 70 5.293 -4.174 11.486 1.00 71.23 H new ATOM 0 HG2 PRO A 70 6.992 -1.686 11.562 1.00 21.40 H new ATOM 0 HG3 PRO A 70 5.486 -1.963 10.709 1.00 21.40 H new ATOM 0 HD2 PRO A 70 5.543 -0.600 13.057 1.00 32.34 H new ATOM 0 HD3 PRO A 70 4.175 -1.608 12.629 1.00 32.34 H new ATOM 1114 N ARG A 71 7.962 -4.762 14.835 1.00 53.44 N ATOM 1115 CA ARG A 71 9.306 -4.958 15.388 1.00 75.41 C ATOM 1116 C ARG A 71 10.108 -5.982 14.564 1.00 42.54 C ATOM 1117 O ARG A 71 11.341 -5.931 14.513 1.00 63.25 O ATOM 1118 CB ARG A 71 9.201 -5.422 16.851 1.00 61.24 C ATOM 1119 CG ARG A 71 8.323 -4.523 17.726 1.00 34.44 C ATOM 1120 CD ARG A 71 8.840 -3.089 17.775 1.00 42.22 C ATOM 1121 NE ARG A 71 7.998 -2.216 18.594 1.00 14.30 N ATOM 1122 CZ ARG A 71 8.276 -0.966 18.852 1.00 22.23 C ATOM 1123 NH1 ARG A 71 9.348 -0.419 18.373 1.00 43.24 N ATOM 1124 NH2 ARG A 71 7.479 -0.263 19.584 1.00 31.51 N ATOM 0 H ARG A 71 7.245 -5.348 15.262 1.00 53.44 H new ATOM 0 HA ARG A 71 9.836 -4.006 15.344 1.00 75.41 H new ATOM 0 HB2 ARG A 71 8.801 -6.436 16.872 1.00 61.24 H new ATOM 0 HB3 ARG A 71 10.202 -5.465 17.281 1.00 61.24 H new ATOM 0 HG2 ARG A 71 7.303 -4.527 17.341 1.00 34.44 H new ATOM 0 HG3 ARG A 71 8.284 -4.929 18.737 1.00 34.44 H new ATOM 0 HD2 ARG A 71 9.855 -3.086 18.172 1.00 42.22 H new ATOM 0 HD3 ARG A 71 8.893 -2.691 16.762 1.00 42.22 H new ATOM 0 HE ARG A 71 7.142 -2.607 18.987 1.00 14.30 H new ATOM 0 HH11 ARG A 71 9.982 -0.965 17.790 1.00 43.24 H new ATOM 0 HH12 ARG A 71 9.558 0.558 18.579 1.00 43.24 H new ATOM 0 HH21 ARG A 71 6.630 -0.683 19.962 1.00 31.51 H new ATOM 0 HH22 ARG A 71 7.698 0.713 19.784 1.00 31.51 H new ATOM 1138 N SER A 72 9.398 -6.911 13.923 1.00 4.24 N ATOM 1139 CA SER A 72 10.019 -7.983 13.124 1.00 3.52 C ATOM 1140 C SER A 72 9.423 -8.059 11.704 1.00 11.33 C ATOM 1141 O SER A 72 8.382 -7.458 11.422 1.00 62.33 O ATOM 1142 CB SER A 72 9.832 -9.335 13.836 1.00 72.05 C ATOM 1143 OG SER A 72 10.539 -9.381 15.071 1.00 21.44 O ATOM 0 H SER A 72 8.379 -6.947 13.939 1.00 4.24 H new ATOM 0 HA SER A 72 11.080 -7.754 13.029 1.00 3.52 H new ATOM 0 HB2 SER A 72 8.771 -9.507 14.017 1.00 72.05 H new ATOM 0 HB3 SER A 72 10.179 -10.139 13.187 1.00 72.05 H new ATOM 0 HG SER A 72 10.397 -10.252 15.497 1.00 21.44 H new ATOM 1149 N GLU A 73 10.084 -8.813 10.816 1.00 3.33 N ATOM 1150 CA GLU A 73 9.614 -8.988 9.428 1.00 55.12 C ATOM 1151 C GLU A 73 8.214 -9.601 9.376 1.00 62.43 C ATOM 1152 O GLU A 73 7.350 -9.132 8.634 1.00 45.11 O ATOM 1153 CB GLU A 73 10.580 -9.879 8.634 1.00 1.44 C ATOM 1154 CG GLU A 73 11.928 -9.234 8.362 1.00 5.24 C ATOM 1155 CD GLU A 73 12.874 -10.139 7.591 1.00 25.01 C ATOM 1156 OE1 GLU A 73 13.555 -10.976 8.226 1.00 45.13 O ATOM 1157 OE2 GLU A 73 12.957 -10.009 6.353 1.00 32.00 O ATOM 0 H GLU A 73 10.947 -9.313 11.030 1.00 3.33 H new ATOM 0 HA GLU A 73 9.577 -7.995 8.980 1.00 55.12 H new ATOM 0 HB2 GLU A 73 10.737 -10.808 9.183 1.00 1.44 H new ATOM 0 HB3 GLU A 73 10.117 -10.144 7.684 1.00 1.44 H new ATOM 0 HG2 GLU A 73 11.777 -8.312 7.800 1.00 5.24 H new ATOM 0 HG3 GLU A 73 12.390 -8.957 9.310 1.00 5.24 H new ATOM 1164 N SER A 74 8.002 -10.651 10.168 1.00 62.35 N ATOM 1165 CA SER A 74 6.703 -11.340 10.237 1.00 24.23 C ATOM 1166 C SER A 74 5.543 -10.343 10.355 1.00 10.22 C ATOM 1167 O SER A 74 4.510 -10.491 9.701 1.00 31.33 O ATOM 1168 CB SER A 74 6.682 -12.288 11.438 1.00 2.52 C ATOM 1169 OG SER A 74 6.930 -11.578 12.642 1.00 54.54 O ATOM 0 H SER A 74 8.716 -11.050 10.778 1.00 62.35 H new ATOM 0 HA SER A 74 6.575 -11.905 9.314 1.00 24.23 H new ATOM 0 HB2 SER A 74 5.715 -12.787 11.497 1.00 2.52 H new ATOM 0 HB3 SER A 74 7.434 -13.066 11.307 1.00 2.52 H new ATOM 0 HG SER A 74 6.911 -12.200 13.399 1.00 54.54 H new ATOM 1175 N GLU A 75 5.736 -9.320 11.181 1.00 55.22 N ATOM 1176 CA GLU A 75 4.731 -8.272 11.379 1.00 5.22 C ATOM 1177 C GLU A 75 4.512 -7.438 10.104 1.00 54.00 C ATOM 1178 O GLU A 75 3.400 -7.384 9.581 1.00 23.13 O ATOM 1179 CB GLU A 75 5.161 -7.363 12.535 1.00 72.54 C ATOM 1180 CG GLU A 75 5.280 -8.094 13.866 1.00 71.21 C ATOM 1181 CD GLU A 75 5.840 -7.210 14.963 1.00 54.41 C ATOM 1182 OE1 GLU A 75 5.124 -6.301 15.423 1.00 25.23 O ATOM 1183 OE2 GLU A 75 7.007 -7.412 15.357 1.00 21.11 O ATOM 0 H GLU A 75 6.586 -9.191 11.730 1.00 55.22 H new ATOM 0 HA GLU A 75 3.784 -8.755 11.619 1.00 5.22 H new ATOM 0 HB2 GLU A 75 6.121 -6.908 12.292 1.00 72.54 H new ATOM 0 HB3 GLU A 75 4.440 -6.552 12.637 1.00 72.54 H new ATOM 0 HG2 GLU A 75 4.298 -8.461 14.165 1.00 71.21 H new ATOM 0 HG3 GLU A 75 5.922 -8.966 13.742 1.00 71.21 H new ATOM 1190 N CYS A 76 5.578 -6.798 9.607 1.00 54.44 N ATOM 1191 CA CYS A 76 5.500 -5.975 8.385 1.00 35.43 C ATOM 1192 C CYS A 76 4.850 -6.754 7.230 1.00 34.22 C ATOM 1193 O CYS A 76 3.950 -6.258 6.550 1.00 21.10 O ATOM 1194 CB CYS A 76 6.902 -5.511 7.961 1.00 31.13 C ATOM 1195 SG CYS A 76 7.820 -4.622 9.245 1.00 60.24 S ATOM 0 H CYS A 76 6.506 -6.832 10.029 1.00 54.44 H new ATOM 0 HA CYS A 76 4.882 -5.106 8.612 1.00 35.43 H new ATOM 0 HB2 CYS A 76 7.482 -6.382 7.655 1.00 31.13 H new ATOM 0 HB3 CYS A 76 6.809 -4.867 7.087 1.00 31.13 H new ATOM 0 HG CYS A 76 8.173 -5.453 10.181 1.00 60.24 H new ATOM 1201 N LEU A 77 5.309 -7.987 7.034 1.00 21.33 N ATOM 1202 CA LEU A 77 4.774 -8.874 5.997 1.00 25.51 C ATOM 1203 C LEU A 77 3.277 -9.163 6.215 1.00 35.55 C ATOM 1204 O LEU A 77 2.489 -9.143 5.269 1.00 0.14 O ATOM 1205 CB LEU A 77 5.580 -10.181 5.976 1.00 20.11 C ATOM 1206 CG LEU A 77 7.074 -10.016 5.633 1.00 75.22 C ATOM 1207 CD1 LEU A 77 7.864 -11.280 5.968 1.00 22.42 C ATOM 1208 CD2 LEU A 77 7.247 -9.649 4.160 1.00 44.33 C ATOM 0 H LEU A 77 6.060 -8.401 7.586 1.00 21.33 H new ATOM 0 HA LEU A 77 4.869 -8.374 5.033 1.00 25.51 H new ATOM 0 HB2 LEU A 77 5.497 -10.658 6.953 1.00 20.11 H new ATOM 0 HB3 LEU A 77 5.128 -10.858 5.251 1.00 20.11 H new ATOM 0 HG LEU A 77 7.470 -9.205 6.244 1.00 75.22 H new ATOM 0 HD11 LEU A 77 8.914 -11.131 5.714 1.00 22.42 H new ATOM 0 HD12 LEU A 77 7.775 -11.493 7.033 1.00 22.42 H new ATOM 0 HD13 LEU A 77 7.468 -12.119 5.396 1.00 22.42 H new ATOM 0 HD21 LEU A 77 8.308 -9.536 3.935 1.00 44.33 H new ATOM 0 HD22 LEU A 77 6.826 -10.438 3.537 1.00 44.33 H new ATOM 0 HD23 LEU A 77 6.731 -8.711 3.956 1.00 44.33 H new ATOM 1220 N SER A 78 2.888 -9.418 7.470 1.00 42.13 N ATOM 1221 CA SER A 78 1.473 -9.662 7.810 1.00 60.32 C ATOM 1222 C SER A 78 0.607 -8.427 7.526 1.00 11.20 C ATOM 1223 O SER A 78 -0.529 -8.552 7.062 1.00 61.55 O ATOM 1224 CB SER A 78 1.319 -10.078 9.281 1.00 21.14 C ATOM 1225 OG SER A 78 1.930 -11.336 9.529 1.00 64.31 O ATOM 0 H SER A 78 3.525 -9.462 8.265 1.00 42.13 H new ATOM 0 HA SER A 78 1.129 -10.479 7.176 1.00 60.32 H new ATOM 0 HB2 SER A 78 1.767 -9.321 9.924 1.00 21.14 H new ATOM 0 HB3 SER A 78 0.261 -10.128 9.538 1.00 21.14 H new ATOM 0 HG SER A 78 2.904 -11.242 9.477 1.00 64.31 H new ATOM 1231 N ASN A 79 1.149 -7.238 7.801 1.00 45.23 N ATOM 1232 CA ASN A 79 0.458 -5.979 7.494 1.00 2.23 C ATOM 1233 C ASN A 79 0.150 -5.881 5.990 1.00 1.24 C ATOM 1234 O ASN A 79 -0.921 -5.421 5.585 1.00 43.23 O ATOM 1235 CB ASN A 79 1.309 -4.778 7.930 1.00 4.52 C ATOM 1236 CG ASN A 79 1.607 -4.775 9.418 1.00 40.03 C ATOM 1237 OD1 ASN A 79 0.843 -5.295 10.219 1.00 53.45 O ATOM 1238 ND2 ASN A 79 2.717 -4.177 9.803 1.00 3.32 N ATOM 0 H ASN A 79 2.064 -7.119 8.236 1.00 45.23 H new ATOM 0 HA ASN A 79 -0.482 -5.966 8.046 1.00 2.23 H new ATOM 0 HB2 ASN A 79 2.248 -4.784 7.376 1.00 4.52 H new ATOM 0 HB3 ASN A 79 0.790 -3.856 7.667 1.00 4.52 H new ATOM 0 HD21 ASN A 79 2.959 -4.139 10.793 1.00 3.32 H new ATOM 0 HD22 ASN A 79 3.334 -3.752 9.111 1.00 3.32 H new ATOM 1245 N ILE A 80 1.100 -6.325 5.168 1.00 41.02 N ATOM 1246 CA ILE A 80 0.902 -6.379 3.716 1.00 24.13 C ATOM 1247 C ILE A 80 -0.130 -7.460 3.346 1.00 60.32 C ATOM 1248 O ILE A 80 -0.975 -7.253 2.473 1.00 54.10 O ATOM 1249 CB ILE A 80 2.236 -6.658 2.970 1.00 54.12 C ATOM 1250 CG1 ILE A 80 3.291 -5.604 3.347 1.00 71.33 C ATOM 1251 CG2 ILE A 80 2.016 -6.682 1.455 1.00 71.35 C ATOM 1252 CD1 ILE A 80 4.653 -5.848 2.730 1.00 52.12 C ATOM 0 H ILE A 80 2.014 -6.653 5.480 1.00 41.02 H new ATOM 0 HA ILE A 80 0.529 -5.403 3.405 1.00 24.13 H new ATOM 0 HB ILE A 80 2.601 -7.639 3.275 1.00 54.12 H new ATOM 0 HG12 ILE A 80 2.934 -4.621 3.038 1.00 71.33 H new ATOM 0 HG13 ILE A 80 3.394 -5.580 4.432 1.00 71.33 H new ATOM 0 HG21 ILE A 80 2.963 -6.879 0.953 1.00 71.35 H new ATOM 0 HG22 ILE A 80 1.302 -7.466 1.203 1.00 71.35 H new ATOM 0 HG23 ILE A 80 1.626 -5.718 1.129 1.00 71.35 H new ATOM 0 HD11 ILE A 80 5.340 -5.062 3.044 1.00 52.12 H new ATOM 0 HD12 ILE A 80 5.033 -6.815 3.058 1.00 52.12 H new ATOM 0 HD13 ILE A 80 4.567 -5.842 1.643 1.00 52.12 H new ATOM 1264 N ARG A 81 -0.065 -8.608 4.031 1.00 53.11 N ATOM 1265 CA ARG A 81 -1.009 -9.714 3.803 1.00 30.12 C ATOM 1266 C ARG A 81 -2.466 -9.277 4.046 1.00 74.12 C ATOM 1267 O ARG A 81 -3.372 -9.693 3.326 1.00 63.11 O ATOM 1268 CB ARG A 81 -0.658 -10.912 4.700 1.00 2.23 C ATOM 1269 CG ARG A 81 0.706 -11.529 4.399 1.00 34.43 C ATOM 1270 CD ARG A 81 1.061 -12.635 5.391 1.00 73.42 C ATOM 1271 NE ARG A 81 2.395 -13.190 5.150 1.00 55.32 N ATOM 1272 CZ ARG A 81 3.082 -13.873 6.033 1.00 10.41 C ATOM 1273 NH1 ARG A 81 2.572 -14.163 7.187 1.00 54.34 N ATOM 1274 NH2 ARG A 81 4.271 -14.291 5.752 1.00 12.45 N ATOM 0 H ARG A 81 0.633 -8.798 4.750 1.00 53.11 H new ATOM 0 HA ARG A 81 -0.920 -10.012 2.758 1.00 30.12 H new ATOM 0 HB2 ARG A 81 -0.680 -10.592 5.742 1.00 2.23 H new ATOM 0 HB3 ARG A 81 -1.426 -11.677 4.585 1.00 2.23 H new ATOM 0 HG2 ARG A 81 0.706 -11.935 3.387 1.00 34.43 H new ATOM 0 HG3 ARG A 81 1.471 -10.753 4.431 1.00 34.43 H new ATOM 0 HD2 ARG A 81 1.012 -12.240 6.406 1.00 73.42 H new ATOM 0 HD3 ARG A 81 0.321 -13.432 5.324 1.00 73.42 H new ATOM 0 HE ARG A 81 2.817 -13.035 4.235 1.00 55.32 H new ATOM 0 HH11 ARG A 81 1.626 -13.859 7.417 1.00 54.34 H new ATOM 0 HH12 ARG A 81 3.116 -14.695 7.866 1.00 54.34 H new ATOM 0 HH21 ARG A 81 4.680 -14.090 4.839 1.00 12.45 H new ATOM 0 HH22 ARG A 81 4.801 -14.822 6.443 1.00 12.45 H new ATOM 1288 N GLU A 82 -2.684 -8.440 5.063 1.00 12.35 N ATOM 1289 CA GLU A 82 -4.015 -7.873 5.333 1.00 14.42 C ATOM 1290 C GLU A 82 -4.499 -6.994 4.168 1.00 31.34 C ATOM 1291 O GLU A 82 -5.659 -7.073 3.757 1.00 41.10 O ATOM 1292 CB GLU A 82 -4.001 -7.060 6.634 1.00 62.24 C ATOM 1293 CG GLU A 82 -3.869 -7.907 7.893 1.00 20.54 C ATOM 1294 CD GLU A 82 -5.045 -8.853 8.096 1.00 52.42 C ATOM 1295 OE1 GLU A 82 -6.131 -8.386 8.509 1.00 74.44 O ATOM 1296 OE2 GLU A 82 -4.885 -10.075 7.851 1.00 35.23 O ATOM 0 H GLU A 82 -1.960 -8.138 5.714 1.00 12.35 H new ATOM 0 HA GLU A 82 -4.711 -8.705 5.441 1.00 14.42 H new ATOM 0 HB2 GLU A 82 -3.175 -6.350 6.598 1.00 62.24 H new ATOM 0 HB3 GLU A 82 -4.920 -6.477 6.696 1.00 62.24 H new ATOM 0 HG2 GLU A 82 -2.948 -8.487 7.840 1.00 20.54 H new ATOM 0 HG3 GLU A 82 -3.783 -7.251 8.759 1.00 20.54 H new ATOM 1303 N PHE A 83 -3.606 -6.158 3.641 1.00 24.52 N ATOM 1304 CA PHE A 83 -3.914 -5.338 2.464 1.00 54.41 C ATOM 1305 C PHE A 83 -4.304 -6.228 1.270 1.00 21.14 C ATOM 1306 O PHE A 83 -5.293 -5.968 0.577 1.00 21.43 O ATOM 1307 CB PHE A 83 -2.704 -4.463 2.104 1.00 25.31 C ATOM 1308 CG PHE A 83 -2.929 -3.546 0.924 1.00 42.31 C ATOM 1309 CD1 PHE A 83 -3.689 -2.393 1.064 1.00 13.44 C ATOM 1310 CD2 PHE A 83 -2.381 -3.833 -0.321 1.00 3.31 C ATOM 1311 CE1 PHE A 83 -3.897 -1.547 -0.009 1.00 74.20 C ATOM 1312 CE2 PHE A 83 -2.586 -2.989 -1.396 1.00 62.22 C ATOM 1313 CZ PHE A 83 -3.345 -1.844 -1.240 1.00 30.33 C ATOM 0 H PHE A 83 -2.663 -6.029 4.008 1.00 24.52 H new ATOM 0 HA PHE A 83 -4.760 -4.693 2.700 1.00 54.41 H new ATOM 0 HB2 PHE A 83 -2.435 -3.860 2.972 1.00 25.31 H new ATOM 0 HB3 PHE A 83 -1.853 -5.110 1.889 1.00 25.31 H new ATOM 0 HD1 PHE A 83 -4.123 -2.154 2.023 1.00 13.44 H new ATOM 0 HD2 PHE A 83 -1.788 -4.726 -0.450 1.00 3.31 H new ATOM 0 HE1 PHE A 83 -4.491 -0.654 0.115 1.00 74.20 H new ATOM 0 HE2 PHE A 83 -2.154 -3.224 -2.357 1.00 62.22 H new ATOM 0 HZ PHE A 83 -3.506 -1.183 -2.079 1.00 30.33 H new ATOM 1323 N LEU A 84 -3.521 -7.284 1.051 1.00 42.50 N ATOM 1324 CA LEU A 84 -3.802 -8.271 -0.002 1.00 3.24 C ATOM 1325 C LEU A 84 -5.160 -8.953 0.224 1.00 63.40 C ATOM 1326 O LEU A 84 -5.951 -9.116 -0.707 1.00 3.05 O ATOM 1327 CB LEU A 84 -2.689 -9.332 -0.041 1.00 54.24 C ATOM 1328 CG LEU A 84 -1.276 -8.790 -0.306 1.00 5.32 C ATOM 1329 CD1 LEU A 84 -0.241 -9.908 -0.223 1.00 41.51 C ATOM 1330 CD2 LEU A 84 -1.216 -8.094 -1.662 1.00 1.13 C ATOM 0 H LEU A 84 -2.679 -7.482 1.592 1.00 42.50 H new ATOM 0 HA LEU A 84 -3.837 -7.745 -0.956 1.00 3.24 H new ATOM 0 HB2 LEU A 84 -2.684 -9.865 0.910 1.00 54.24 H new ATOM 0 HB3 LEU A 84 -2.932 -10.061 -0.814 1.00 54.24 H new ATOM 0 HG LEU A 84 -1.041 -8.057 0.465 1.00 5.32 H new ATOM 0 HD11 LEU A 84 0.751 -9.500 -0.414 1.00 41.51 H new ATOM 0 HD12 LEU A 84 -0.265 -10.353 0.772 1.00 41.51 H new ATOM 0 HD13 LEU A 84 -0.469 -10.671 -0.967 1.00 41.51 H new ATOM 0 HD21 LEU A 84 -0.208 -7.716 -1.833 1.00 1.13 H new ATOM 0 HD22 LEU A 84 -1.475 -8.804 -2.447 1.00 1.13 H new ATOM 0 HD23 LEU A 84 -1.922 -7.263 -1.676 1.00 1.13 H new ATOM 1342 N ARG A 85 -5.415 -9.338 1.473 1.00 62.13 N ATOM 1343 CA ARG A 85 -6.671 -9.995 1.856 1.00 32.44 C ATOM 1344 C ARG A 85 -7.881 -9.097 1.553 1.00 43.04 C ATOM 1345 O ARG A 85 -8.767 -9.468 0.786 1.00 1.52 O ATOM 1346 CB ARG A 85 -6.642 -10.343 3.354 1.00 74.30 C ATOM 1347 CG ARG A 85 -7.893 -11.066 3.860 1.00 61.11 C ATOM 1348 CD ARG A 85 -8.004 -12.484 3.303 1.00 64.40 C ATOM 1349 NE ARG A 85 -6.864 -13.313 3.696 1.00 50.33 N ATOM 1350 CZ ARG A 85 -6.912 -14.609 3.870 1.00 53.00 C ATOM 1351 NH1 ARG A 85 -8.014 -15.265 3.695 1.00 23.43 N ATOM 1352 NH2 ARG A 85 -5.847 -15.252 4.221 1.00 74.41 N ATOM 0 H ARG A 85 -4.763 -9.206 2.247 1.00 62.13 H new ATOM 0 HA ARG A 85 -6.770 -10.909 1.271 1.00 32.44 H new ATOM 0 HB2 ARG A 85 -5.771 -10.968 3.553 1.00 74.30 H new ATOM 0 HB3 ARG A 85 -6.512 -9.424 3.926 1.00 74.30 H new ATOM 0 HG2 ARG A 85 -7.872 -11.106 4.949 1.00 61.11 H new ATOM 0 HG3 ARG A 85 -8.779 -10.496 3.579 1.00 61.11 H new ATOM 0 HD2 ARG A 85 -8.927 -12.943 3.658 1.00 64.40 H new ATOM 0 HD3 ARG A 85 -8.066 -12.444 2.216 1.00 64.40 H new ATOM 0 HE ARG A 85 -5.969 -12.848 3.845 1.00 50.33 H new ATOM 0 HH11 ARG A 85 -8.862 -14.772 3.417 1.00 23.43 H new ATOM 0 HH12 ARG A 85 -8.034 -16.275 3.835 1.00 23.43 H new ATOM 0 HH21 ARG A 85 -4.971 -14.749 4.362 1.00 74.41 H new ATOM 0 HH22 ARG A 85 -5.883 -16.262 4.357 1.00 74.41 H new ATOM 1366 N GLY A 86 -7.897 -7.909 2.151 1.00 23.30 N ATOM 1367 CA GLY A 86 -9.015 -6.987 1.976 1.00 20.24 C ATOM 1368 C GLY A 86 -9.269 -6.602 0.520 1.00 44.42 C ATOM 1369 O GLY A 86 -10.383 -6.767 0.009 1.00 74.40 O ATOM 0 H GLY A 86 -7.153 -7.564 2.758 1.00 23.30 H new ATOM 0 HA2 GLY A 86 -9.917 -7.442 2.385 1.00 20.24 H new ATOM 0 HA3 GLY A 86 -8.823 -6.083 2.554 1.00 20.24 H new ATOM 1373 N CYS A 87 -8.238 -6.094 -0.155 1.00 5.12 N ATOM 1374 CA CYS A 87 -8.354 -5.700 -1.567 1.00 13.14 C ATOM 1375 C CYS A 87 -8.707 -6.898 -2.461 1.00 71.21 C ATOM 1376 O CYS A 87 -9.443 -6.759 -3.439 1.00 43.01 O ATOM 1377 CB CYS A 87 -7.052 -5.054 -2.053 1.00 21.23 C ATOM 1378 SG CYS A 87 -6.610 -3.532 -1.182 1.00 62.04 S ATOM 0 H CYS A 87 -7.313 -5.944 0.248 1.00 5.12 H new ATOM 0 HA CYS A 87 -9.164 -4.974 -1.638 1.00 13.14 H new ATOM 0 HB2 CYS A 87 -6.240 -5.772 -1.942 1.00 21.23 H new ATOM 0 HB3 CYS A 87 -7.142 -4.837 -3.117 1.00 21.23 H new ATOM 0 HG CYS A 87 -5.358 -3.256 -1.399 1.00 62.04 H new ATOM 1384 N GLY A 88 -8.178 -8.072 -2.119 1.00 13.55 N ATOM 1385 CA GLY A 88 -8.470 -9.286 -2.874 1.00 11.40 C ATOM 1386 C GLY A 88 -9.824 -9.913 -2.530 1.00 11.35 C ATOM 1387 O GLY A 88 -10.356 -10.714 -3.303 1.00 2.42 O ATOM 0 H GLY A 88 -7.548 -8.206 -1.328 1.00 13.55 H new ATOM 0 HA2 GLY A 88 -8.446 -9.056 -3.939 1.00 11.40 H new ATOM 0 HA3 GLY A 88 -7.683 -10.017 -2.688 1.00 11.40 H new ATOM 1391 N ALA A 89 -10.375 -9.571 -1.367 1.00 51.12 N ATOM 1392 CA ALA A 89 -11.684 -10.089 -0.941 1.00 13.53 C ATOM 1393 C ALA A 89 -12.832 -9.150 -1.347 1.00 32.30 C ATOM 1394 O ALA A 89 -13.671 -9.499 -2.178 1.00 32.22 O ATOM 1395 CB ALA A 89 -11.694 -10.318 0.567 1.00 31.44 C ATOM 0 H ALA A 89 -9.938 -8.937 -0.698 1.00 51.12 H new ATOM 0 HA ALA A 89 -11.844 -11.040 -1.450 1.00 13.53 H new ATOM 0 HB1 ALA A 89 -12.668 -10.701 0.870 1.00 31.44 H new ATOM 0 HB2 ALA A 89 -10.922 -11.041 0.830 1.00 31.44 H new ATOM 0 HB3 ALA A 89 -11.499 -9.376 1.079 1.00 31.44 H new ATOM 1401 N SER A 90 -12.852 -7.953 -0.758 1.00 2.51 N ATOM 1402 CA SER A 90 -13.943 -6.988 -0.982 1.00 75.30 C ATOM 1403 C SER A 90 -13.981 -6.488 -2.434 1.00 21.04 C ATOM 1404 O SER A 90 -15.008 -6.581 -3.111 1.00 4.43 O ATOM 1405 CB SER A 90 -13.802 -5.790 -0.030 1.00 22.24 C ATOM 1406 OG SER A 90 -14.856 -4.861 -0.210 1.00 42.32 O ATOM 0 H SER A 90 -12.127 -7.623 -0.121 1.00 2.51 H new ATOM 0 HA SER A 90 -14.879 -7.510 -0.781 1.00 75.30 H new ATOM 0 HB2 SER A 90 -13.797 -6.142 1.002 1.00 22.24 H new ATOM 0 HB3 SER A 90 -12.846 -5.296 -0.203 1.00 22.24 H new ATOM 0 HG SER A 90 -14.740 -4.111 0.410 1.00 42.32 H new ATOM 1412 N LEU A 91 -12.858 -5.951 -2.906 1.00 14.14 N ATOM 1413 CA LEU A 91 -12.751 -5.447 -4.284 1.00 13.04 C ATOM 1414 C LEU A 91 -12.350 -6.558 -5.266 1.00 51.11 C ATOM 1415 O LEU A 91 -12.738 -6.534 -6.434 1.00 52.55 O ATOM 1416 CB LEU A 91 -11.737 -4.294 -4.337 1.00 60.20 C ATOM 1417 CG LEU A 91 -12.236 -2.965 -3.745 1.00 73.04 C ATOM 1418 CD1 LEU A 91 -11.073 -2.015 -3.485 1.00 1.32 C ATOM 1419 CD2 LEU A 91 -13.252 -2.318 -4.685 1.00 31.43 C ATOM 0 H LEU A 91 -12.004 -5.851 -2.357 1.00 14.14 H new ATOM 0 HA LEU A 91 -13.732 -5.082 -4.588 1.00 13.04 H new ATOM 0 HB2 LEU A 91 -10.836 -4.597 -3.804 1.00 60.20 H new ATOM 0 HB3 LEU A 91 -11.452 -4.128 -5.376 1.00 60.20 H new ATOM 0 HG LEU A 91 -12.721 -3.175 -2.792 1.00 73.04 H new ATOM 0 HD11 LEU A 91 -11.452 -1.082 -3.067 1.00 1.32 H new ATOM 0 HD12 LEU A 91 -10.379 -2.474 -2.780 1.00 1.32 H new ATOM 0 HD13 LEU A 91 -10.555 -1.809 -4.422 1.00 1.32 H new ATOM 0 HD21 LEU A 91 -13.598 -1.378 -4.255 1.00 31.43 H new ATOM 0 HD22 LEU A 91 -12.783 -2.125 -5.650 1.00 31.43 H new ATOM 0 HD23 LEU A 91 -14.100 -2.989 -4.821 1.00 31.43 H new ATOM 1431 N ARG A 92 -11.559 -7.518 -4.779 1.00 62.25 N ATOM 1432 CA ARG A 92 -11.150 -8.684 -5.575 1.00 35.24 C ATOM 1433 C ARG A 92 -10.315 -8.254 -6.797 1.00 13.35 C ATOM 1434 O ARG A 92 -10.435 -8.814 -7.889 1.00 61.41 O ATOM 1435 CB ARG A 92 -12.401 -9.477 -5.991 1.00 2.42 C ATOM 1436 CG ARG A 92 -12.143 -10.942 -6.339 1.00 61.50 C ATOM 1437 CD ARG A 92 -13.442 -11.738 -6.349 1.00 51.22 C ATOM 1438 NE ARG A 92 -14.152 -11.614 -5.073 1.00 14.44 N ATOM 1439 CZ ARG A 92 -15.449 -11.507 -4.954 1.00 75.33 C ATOM 1440 NH1 ARG A 92 -16.213 -11.559 -5.998 1.00 3.05 N ATOM 1441 NH2 ARG A 92 -15.979 -11.357 -3.784 1.00 72.32 N ATOM 0 H ARG A 92 -11.185 -7.512 -3.830 1.00 62.25 H new ATOM 0 HA ARG A 92 -10.513 -9.329 -4.970 1.00 35.24 H new ATOM 0 HB2 ARG A 92 -13.128 -9.433 -5.180 1.00 2.42 H new ATOM 0 HB3 ARG A 92 -12.855 -8.988 -6.853 1.00 2.42 H new ATOM 0 HG2 ARG A 92 -11.664 -11.008 -7.316 1.00 61.50 H new ATOM 0 HG3 ARG A 92 -11.452 -11.375 -5.615 1.00 61.50 H new ATOM 0 HD2 ARG A 92 -14.081 -11.386 -7.159 1.00 51.22 H new ATOM 0 HD3 ARG A 92 -13.226 -12.788 -6.547 1.00 51.22 H new ATOM 0 HE ARG A 92 -13.595 -11.611 -4.218 1.00 14.44 H new ATOM 0 HH11 ARG A 92 -15.804 -11.685 -6.924 1.00 3.05 H new ATOM 0 HH12 ARG A 92 -17.224 -11.475 -5.895 1.00 3.05 H new ATOM 0 HH21 ARG A 92 -15.385 -11.322 -2.956 1.00 72.32 H new ATOM 0 HH22 ARG A 92 -16.991 -11.273 -3.690 1.00 72.32 H new ATOM 1455 N LEU A 93 -9.438 -7.274 -6.578 1.00 64.55 N ATOM 1456 CA LEU A 93 -8.640 -6.664 -7.651 1.00 42.12 C ATOM 1457 C LEU A 93 -7.226 -7.274 -7.768 1.00 21.05 C ATOM 1458 O LEU A 93 -6.913 -8.280 -7.127 1.00 63.55 O ATOM 1459 CB LEU A 93 -8.561 -5.142 -7.411 1.00 63.41 C ATOM 1460 CG LEU A 93 -8.132 -4.691 -5.993 1.00 34.30 C ATOM 1461 CD1 LEU A 93 -6.637 -4.890 -5.757 1.00 1.13 C ATOM 1462 CD2 LEU A 93 -8.517 -3.237 -5.750 1.00 44.52 C ATOM 0 H LEU A 93 -9.258 -6.879 -5.655 1.00 64.55 H new ATOM 0 HA LEU A 93 -9.136 -6.871 -8.599 1.00 42.12 H new ATOM 0 HB2 LEU A 93 -7.861 -4.718 -8.131 1.00 63.41 H new ATOM 0 HB3 LEU A 93 -9.539 -4.711 -7.626 1.00 63.41 H new ATOM 0 HG LEU A 93 -8.664 -5.322 -5.281 1.00 34.30 H new ATOM 0 HD11 LEU A 93 -6.381 -4.560 -4.750 1.00 1.13 H new ATOM 0 HD12 LEU A 93 -6.389 -5.946 -5.868 1.00 1.13 H new ATOM 0 HD13 LEU A 93 -6.073 -4.306 -6.484 1.00 1.13 H new ATOM 0 HD21 LEU A 93 -8.206 -2.941 -4.748 1.00 44.52 H new ATOM 0 HD22 LEU A 93 -8.023 -2.602 -6.486 1.00 44.52 H new ATOM 0 HD23 LEU A 93 -9.597 -3.126 -5.842 1.00 44.52 H new ATOM 1474 N GLU A 94 -6.386 -6.654 -8.608 1.00 11.41 N ATOM 1475 CA GLU A 94 -4.987 -7.079 -8.794 1.00 11.02 C ATOM 1476 C GLU A 94 -4.232 -7.202 -7.458 1.00 63.24 C ATOM 1477 O GLU A 94 -3.993 -6.208 -6.775 1.00 13.11 O ATOM 1478 CB GLU A 94 -4.234 -6.080 -9.691 1.00 71.04 C ATOM 1479 CG GLU A 94 -4.831 -5.895 -11.082 1.00 13.34 C ATOM 1480 CD GLU A 94 -4.963 -7.198 -11.852 1.00 52.12 C ATOM 1481 OE1 GLU A 94 -3.965 -7.950 -11.934 1.00 74.31 O ATOM 1482 OE2 GLU A 94 -6.067 -7.478 -12.369 1.00 44.21 O ATOM 0 H GLU A 94 -6.652 -5.849 -9.175 1.00 11.41 H new ATOM 0 HA GLU A 94 -5.022 -8.061 -9.265 1.00 11.02 H new ATOM 0 HB2 GLU A 94 -4.207 -5.112 -9.191 1.00 71.04 H new ATOM 0 HB3 GLU A 94 -3.201 -6.413 -9.795 1.00 71.04 H new ATOM 0 HG2 GLU A 94 -5.814 -5.433 -10.990 1.00 13.34 H new ATOM 0 HG3 GLU A 94 -4.206 -5.206 -11.650 1.00 13.34 H new ATOM 1489 N THR A 95 -3.853 -8.422 -7.095 1.00 62.42 N ATOM 1490 CA THR A 95 -3.063 -8.659 -5.880 1.00 63.12 C ATOM 1491 C THR A 95 -1.598 -8.975 -6.209 1.00 73.21 C ATOM 1492 O THR A 95 -1.242 -9.209 -7.365 1.00 13.41 O ATOM 1493 CB THR A 95 -3.653 -9.815 -5.036 1.00 73.22 C ATOM 1494 OG1 THR A 95 -3.808 -10.993 -5.848 1.00 15.50 O ATOM 1495 CG2 THR A 95 -5.002 -9.425 -4.439 1.00 34.41 C ATOM 0 H THR A 95 -4.077 -9.266 -7.621 1.00 62.42 H new ATOM 0 HA THR A 95 -3.105 -7.736 -5.301 1.00 63.12 H new ATOM 0 HB THR A 95 -2.960 -10.024 -4.221 1.00 73.22 H new ATOM 0 HG1 THR A 95 -4.180 -11.718 -5.304 1.00 15.50 H new ATOM 0 HG21 THR A 95 -5.393 -10.255 -3.851 1.00 34.41 H new ATOM 0 HG22 THR A 95 -4.877 -8.553 -3.797 1.00 34.41 H new ATOM 0 HG23 THR A 95 -5.700 -9.188 -5.242 1.00 34.41 H new ATOM 1503 N PHE A 96 -0.752 -8.972 -5.182 1.00 64.41 N ATOM 1504 CA PHE A 96 0.680 -9.257 -5.335 1.00 12.14 C ATOM 1505 C PHE A 96 1.204 -10.058 -4.136 1.00 24.33 C ATOM 1506 O PHE A 96 0.444 -10.394 -3.228 1.00 51.50 O ATOM 1507 CB PHE A 96 1.475 -7.948 -5.500 1.00 31.31 C ATOM 1508 CG PHE A 96 1.317 -6.967 -4.359 1.00 40.44 C ATOM 1509 CD1 PHE A 96 0.268 -6.056 -4.348 1.00 43.44 C ATOM 1510 CD2 PHE A 96 2.218 -6.952 -3.304 1.00 75.11 C ATOM 1511 CE1 PHE A 96 0.124 -5.154 -3.309 1.00 74.51 C ATOM 1512 CE2 PHE A 96 2.077 -6.052 -2.263 1.00 0.55 C ATOM 1513 CZ PHE A 96 1.028 -5.154 -2.264 1.00 70.34 C ATOM 0 H PHE A 96 -1.034 -8.773 -4.222 1.00 64.41 H new ATOM 0 HA PHE A 96 0.816 -9.859 -6.233 1.00 12.14 H new ATOM 0 HB2 PHE A 96 2.532 -8.191 -5.609 1.00 31.31 H new ATOM 0 HB3 PHE A 96 1.163 -7.463 -6.425 1.00 31.31 H new ATOM 0 HD1 PHE A 96 -0.444 -6.052 -5.160 1.00 43.44 H new ATOM 0 HD2 PHE A 96 3.040 -7.652 -3.295 1.00 75.11 H new ATOM 0 HE1 PHE A 96 -0.695 -4.450 -3.315 1.00 74.51 H new ATOM 0 HE2 PHE A 96 2.787 -6.052 -1.449 1.00 0.55 H new ATOM 0 HZ PHE A 96 0.914 -4.453 -1.450 1.00 70.34 H new ATOM 1523 N ASP A 97 2.491 -10.388 -4.143 1.00 61.14 N ATOM 1524 CA ASP A 97 3.108 -11.092 -3.009 1.00 5.45 C ATOM 1525 C ASP A 97 3.775 -10.101 -2.034 1.00 65.12 C ATOM 1526 O ASP A 97 4.337 -9.087 -2.445 1.00 53.35 O ATOM 1527 CB ASP A 97 4.124 -12.121 -3.515 1.00 52.52 C ATOM 1528 CG ASP A 97 4.805 -12.867 -2.381 1.00 63.14 C ATOM 1529 OD1 ASP A 97 4.182 -13.779 -1.797 1.00 12.54 O ATOM 1530 OD2 ASP A 97 5.964 -12.545 -2.057 1.00 21.02 O ATOM 0 H ASP A 97 3.129 -10.184 -4.912 1.00 61.14 H new ATOM 0 HA ASP A 97 2.322 -11.615 -2.464 1.00 5.45 H new ATOM 0 HB2 ASP A 97 3.620 -12.836 -4.166 1.00 52.52 H new ATOM 0 HB3 ASP A 97 4.878 -11.617 -4.119 1.00 52.52 H new ATOM 1535 N ALA A 98 3.718 -10.413 -0.739 1.00 42.23 N ATOM 1536 CA ALA A 98 4.244 -9.521 0.305 1.00 2.14 C ATOM 1537 C ALA A 98 5.733 -9.188 0.101 1.00 23.32 C ATOM 1538 O ALA A 98 6.174 -8.071 0.383 1.00 75.34 O ATOM 1539 CB ALA A 98 4.025 -10.134 1.685 1.00 13.02 C ATOM 0 H ALA A 98 3.312 -11.279 -0.383 1.00 42.23 H new ATOM 0 HA ALA A 98 3.692 -8.584 0.232 1.00 2.14 H new ATOM 0 HB1 ALA A 98 4.419 -9.463 2.448 1.00 13.02 H new ATOM 0 HB2 ALA A 98 2.958 -10.285 1.851 1.00 13.02 H new ATOM 0 HB3 ALA A 98 4.541 -11.092 1.743 1.00 13.02 H new ATOM 1545 N ASN A 99 6.505 -10.153 -0.398 1.00 45.03 N ATOM 1546 CA ASN A 99 7.941 -9.951 -0.622 1.00 21.10 C ATOM 1547 C ASN A 99 8.200 -9.056 -1.841 1.00 35.13 C ATOM 1548 O ASN A 99 9.224 -8.367 -1.907 1.00 31.20 O ATOM 1549 CB ASN A 99 8.650 -11.295 -0.796 1.00 64.31 C ATOM 1550 CG ASN A 99 8.499 -12.180 0.425 1.00 35.04 C ATOM 1551 OD1 ASN A 99 7.573 -12.979 0.521 1.00 34.10 O ATOM 1552 ND2 ASN A 99 9.398 -12.038 1.379 1.00 0.10 N ATOM 0 H ASN A 99 6.164 -11.080 -0.655 1.00 45.03 H new ATOM 0 HA ASN A 99 8.344 -9.447 0.257 1.00 21.10 H new ATOM 0 HB2 ASN A 99 8.245 -11.808 -1.668 1.00 64.31 H new ATOM 0 HB3 ASN A 99 9.709 -11.124 -0.991 1.00 64.31 H new ATOM 0 HD21 ASN A 99 9.335 -12.601 2.227 1.00 0.10 H new ATOM 0 HD22 ASN A 99 10.156 -11.365 1.269 1.00 0.10 H new ATOM 1559 N ASP A 100 7.270 -9.064 -2.800 1.00 2.45 N ATOM 1560 CA ASP A 100 7.362 -8.194 -3.979 1.00 75.45 C ATOM 1561 C ASP A 100 7.556 -6.729 -3.565 1.00 50.20 C ATOM 1562 O ASP A 100 8.309 -5.990 -4.196 1.00 13.22 O ATOM 1563 CB ASP A 100 6.106 -8.319 -4.858 1.00 24.22 C ATOM 1564 CG ASP A 100 5.931 -9.700 -5.471 1.00 62.41 C ATOM 1565 OD1 ASP A 100 6.900 -10.488 -5.485 1.00 31.43 O ATOM 1566 OD2 ASP A 100 4.823 -9.992 -5.970 1.00 74.14 O ATOM 0 H ASP A 100 6.444 -9.663 -2.784 1.00 2.45 H new ATOM 0 HA ASP A 100 8.228 -8.517 -4.556 1.00 75.45 H new ATOM 0 HB2 ASP A 100 5.227 -8.082 -4.258 1.00 24.22 H new ATOM 0 HB3 ASP A 100 6.156 -7.579 -5.657 1.00 24.22 H new ATOM 1571 N LEU A 101 6.867 -6.323 -2.502 1.00 14.02 N ATOM 1572 CA LEU A 101 6.993 -4.966 -1.961 1.00 52.05 C ATOM 1573 C LEU A 101 8.099 -4.879 -0.899 1.00 42.14 C ATOM 1574 O LEU A 101 8.985 -4.027 -0.985 1.00 24.30 O ATOM 1575 CB LEU A 101 5.663 -4.516 -1.345 1.00 12.21 C ATOM 1576 CG LEU A 101 5.693 -3.134 -0.667 1.00 63.44 C ATOM 1577 CD1 LEU A 101 6.121 -2.049 -1.654 1.00 5.53 C ATOM 1578 CD2 LEU A 101 4.335 -2.807 -0.058 1.00 15.04 C ATOM 0 H LEU A 101 6.211 -6.916 -1.993 1.00 14.02 H new ATOM 0 HA LEU A 101 7.259 -4.309 -2.789 1.00 52.05 H new ATOM 0 HB2 LEU A 101 4.904 -4.504 -2.127 1.00 12.21 H new ATOM 0 HB3 LEU A 101 5.351 -5.258 -0.610 1.00 12.21 H new ATOM 0 HG LEU A 101 6.430 -3.166 0.136 1.00 63.44 H new ATOM 0 HD11 LEU A 101 6.134 -1.083 -1.150 1.00 5.53 H new ATOM 0 HD12 LEU A 101 7.118 -2.274 -2.032 1.00 5.53 H new ATOM 0 HD13 LEU A 101 5.417 -2.015 -2.485 1.00 5.53 H new ATOM 0 HD21 LEU A 101 4.376 -1.827 0.417 1.00 15.04 H new ATOM 0 HD22 LEU A 101 3.577 -2.800 -0.841 1.00 15.04 H new ATOM 0 HD23 LEU A 101 4.079 -3.560 0.687 1.00 15.04 H new ATOM 1590 N TYR A 102 8.044 -5.772 0.089 1.00 61.25 N ATOM 1591 CA TYR A 102 8.960 -5.727 1.236 1.00 0.45 C ATOM 1592 C TYR A 102 10.437 -5.779 0.799 1.00 33.52 C ATOM 1593 O TYR A 102 11.305 -5.176 1.429 1.00 74.12 O ATOM 1594 CB TYR A 102 8.652 -6.876 2.207 1.00 50.23 C ATOM 1595 CG TYR A 102 9.396 -6.771 3.524 1.00 3.53 C ATOM 1596 CD1 TYR A 102 8.953 -5.912 4.522 1.00 64.14 C ATOM 1597 CD2 TYR A 102 10.545 -7.514 3.764 1.00 42.12 C ATOM 1598 CE1 TYR A 102 9.633 -5.795 5.718 1.00 21.42 C ATOM 1599 CE2 TYR A 102 11.228 -7.406 4.959 1.00 54.21 C ATOM 1600 CZ TYR A 102 10.768 -6.543 5.931 1.00 41.04 C ATOM 1601 OH TYR A 102 11.450 -6.422 7.120 1.00 71.33 O ATOM 0 H TYR A 102 7.373 -6.540 0.121 1.00 61.25 H new ATOM 0 HA TYR A 102 8.803 -4.775 1.743 1.00 0.45 H new ATOM 0 HB2 TYR A 102 7.580 -6.896 2.405 1.00 50.23 H new ATOM 0 HB3 TYR A 102 8.906 -7.822 1.730 1.00 50.23 H new ATOM 0 HD1 TYR A 102 8.061 -5.325 4.359 1.00 64.14 H new ATOM 0 HD2 TYR A 102 10.910 -8.188 3.003 1.00 42.12 H new ATOM 0 HE1 TYR A 102 9.276 -5.120 6.482 1.00 21.42 H new ATOM 0 HE2 TYR A 102 12.117 -7.994 5.131 1.00 54.21 H new ATOM 0 HH TYR A 102 12.389 -6.669 6.985 1.00 71.33 H new ATOM 1611 N GLN A 103 10.721 -6.518 -0.270 1.00 20.55 N ATOM 1612 CA GLN A 103 12.084 -6.611 -0.810 1.00 74.14 C ATOM 1613 C GLN A 103 12.217 -5.872 -2.152 1.00 42.44 C ATOM 1614 O GLN A 103 13.320 -5.699 -2.675 1.00 22.35 O ATOM 1615 CB GLN A 103 12.478 -8.085 -0.979 1.00 12.33 C ATOM 1616 CG GLN A 103 12.509 -8.864 0.331 1.00 35.42 C ATOM 1617 CD GLN A 103 13.586 -8.365 1.283 1.00 24.43 C ATOM 1618 OE1 GLN A 103 14.710 -8.848 1.273 1.00 73.12 O ATOM 1619 NE2 GLN A 103 13.258 -7.383 2.100 1.00 44.44 N ATOM 0 H GLN A 103 10.028 -7.063 -0.783 1.00 20.55 H new ATOM 0 HA GLN A 103 12.758 -6.131 -0.101 1.00 74.14 H new ATOM 0 HB2 GLN A 103 11.775 -8.564 -1.660 1.00 12.33 H new ATOM 0 HB3 GLN A 103 13.461 -8.138 -1.447 1.00 12.33 H new ATOM 0 HG2 GLN A 103 11.536 -8.789 0.817 1.00 35.42 H new ATOM 0 HG3 GLN A 103 12.678 -9.919 0.118 1.00 35.42 H new ATOM 0 HE21 GLN A 103 12.312 -7.001 2.085 1.00 44.44 H new ATOM 0 HE22 GLN A 103 13.950 -7.005 2.747 1.00 44.44 H new ATOM 1628 N GLY A 104 11.089 -5.425 -2.696 1.00 4.22 N ATOM 1629 CA GLY A 104 11.090 -4.781 -4.005 1.00 63.02 C ATOM 1630 C GLY A 104 11.301 -5.767 -5.151 1.00 23.32 C ATOM 1631 O GLY A 104 11.680 -5.373 -6.253 1.00 32.25 O ATOM 0 H GLY A 104 10.171 -5.496 -2.256 1.00 4.22 H new ATOM 0 HA2 GLY A 104 10.143 -4.261 -4.149 1.00 63.02 H new ATOM 0 HA3 GLY A 104 11.876 -4.026 -4.032 1.00 63.02 H new ATOM 1635 N GLN A 105 11.039 -7.050 -4.889 1.00 2.32 N ATOM 1636 CA GLN A 105 11.216 -8.110 -5.894 1.00 45.24 C ATOM 1637 C GLN A 105 10.389 -7.835 -7.157 1.00 43.03 C ATOM 1638 O GLN A 105 10.840 -8.091 -8.274 1.00 2.54 O ATOM 1639 CB GLN A 105 10.821 -9.469 -5.299 1.00 23.35 C ATOM 1640 CG GLN A 105 11.635 -9.862 -4.072 1.00 44.01 C ATOM 1641 CD GLN A 105 13.113 -10.044 -4.377 1.00 71.12 C ATOM 1642 OE1 GLN A 105 13.897 -9.103 -4.306 1.00 1.02 O ATOM 1643 NE2 GLN A 105 13.510 -11.254 -4.715 1.00 15.21 N ATOM 0 H GLN A 105 10.702 -7.384 -3.986 1.00 2.32 H new ATOM 0 HA GLN A 105 12.268 -8.127 -6.178 1.00 45.24 H new ATOM 0 HB2 GLN A 105 9.765 -9.445 -5.031 1.00 23.35 H new ATOM 0 HB3 GLN A 105 10.938 -10.238 -6.063 1.00 23.35 H new ATOM 0 HG2 GLN A 105 11.519 -9.097 -3.305 1.00 44.01 H new ATOM 0 HG3 GLN A 105 11.237 -10.789 -3.660 1.00 44.01 H new ATOM 0 HE21 GLN A 105 12.835 -12.017 -4.766 1.00 15.21 H new ATOM 0 HE22 GLN A 105 14.493 -11.428 -4.926 1.00 15.21 H new ATOM 1652 N ASN A 106 9.177 -7.315 -6.963 1.00 51.33 N ATOM 1653 CA ASN A 106 8.282 -6.954 -8.070 1.00 51.32 C ATOM 1654 C ASN A 106 7.478 -5.691 -7.729 1.00 72.42 C ATOM 1655 O ASN A 106 6.319 -5.779 -7.313 1.00 43.21 O ATOM 1656 CB ASN A 106 7.302 -8.096 -8.384 1.00 60.54 C ATOM 1657 CG ASN A 106 7.949 -9.321 -9.000 1.00 4.02 C ATOM 1658 OD1 ASN A 106 8.921 -9.225 -9.744 1.00 13.43 O ATOM 1659 ND2 ASN A 106 7.408 -10.484 -8.702 1.00 12.31 N ATOM 0 H ASN A 106 8.786 -7.131 -6.039 1.00 51.33 H new ATOM 0 HA ASN A 106 8.906 -6.766 -8.943 1.00 51.32 H new ATOM 0 HB2 ASN A 106 6.798 -8.390 -7.463 1.00 60.54 H new ATOM 0 HB3 ASN A 106 6.535 -7.724 -9.063 1.00 60.54 H new ATOM 0 HD21 ASN A 106 7.796 -11.342 -9.093 1.00 12.31 H new ATOM 0 HD22 ASN A 106 6.601 -10.527 -8.080 1.00 12.31 H new ATOM 1666 N PHE A 107 8.079 -4.514 -7.886 1.00 73.24 N ATOM 1667 CA PHE A 107 7.371 -3.271 -7.567 1.00 21.51 C ATOM 1668 C PHE A 107 6.202 -3.034 -8.534 1.00 64.13 C ATOM 1669 O PHE A 107 5.149 -2.554 -8.127 1.00 33.02 O ATOM 1670 CB PHE A 107 8.313 -2.062 -7.574 1.00 43.31 C ATOM 1671 CG PHE A 107 7.623 -0.785 -7.147 1.00 72.12 C ATOM 1672 CD1 PHE A 107 7.383 -0.529 -5.803 1.00 34.31 C ATOM 1673 CD2 PHE A 107 7.201 0.149 -8.086 1.00 74.23 C ATOM 1674 CE1 PHE A 107 6.739 0.627 -5.406 1.00 32.11 C ATOM 1675 CE2 PHE A 107 6.558 1.307 -7.692 1.00 71.24 C ATOM 1676 CZ PHE A 107 6.326 1.546 -6.351 1.00 41.14 C ATOM 0 H PHE A 107 9.033 -4.392 -8.224 1.00 73.24 H new ATOM 0 HA PHE A 107 6.973 -3.384 -6.559 1.00 21.51 H new ATOM 0 HB2 PHE A 107 9.153 -2.257 -6.908 1.00 43.31 H new ATOM 0 HB3 PHE A 107 8.724 -1.932 -8.575 1.00 43.31 H new ATOM 0 HD1 PHE A 107 7.704 -1.243 -5.059 1.00 34.31 H new ATOM 0 HD2 PHE A 107 7.378 -0.032 -9.136 1.00 74.23 H new ATOM 0 HE1 PHE A 107 6.559 0.812 -4.357 1.00 32.11 H new ATOM 0 HE2 PHE A 107 6.237 2.025 -8.432 1.00 71.24 H new ATOM 0 HZ PHE A 107 5.822 2.450 -6.042 1.00 41.14 H new ATOM 1686 N ASN A 108 6.393 -3.370 -9.812 1.00 51.15 N ATOM 1687 CA ASN A 108 5.322 -3.249 -10.811 1.00 12.12 C ATOM 1688 C ASN A 108 4.042 -3.978 -10.357 1.00 12.25 C ATOM 1689 O ASN A 108 2.936 -3.488 -10.567 1.00 60.25 O ATOM 1690 CB ASN A 108 5.791 -3.785 -12.172 1.00 12.02 C ATOM 1691 CG ASN A 108 6.243 -5.231 -12.110 1.00 22.31 C ATOM 1692 OD1 ASN A 108 5.448 -6.149 -12.268 1.00 20.02 O ATOM 1693 ND2 ASN A 108 7.521 -5.448 -11.888 1.00 14.32 N ATOM 0 H ASN A 108 7.274 -3.727 -10.181 1.00 51.15 H new ATOM 0 HA ASN A 108 5.084 -2.190 -10.914 1.00 12.12 H new ATOM 0 HB2 ASN A 108 4.979 -3.694 -12.893 1.00 12.02 H new ATOM 0 HB3 ASN A 108 6.612 -3.168 -12.537 1.00 12.02 H new ATOM 0 HD21 ASN A 108 7.876 -6.403 -11.843 1.00 14.32 H new ATOM 0 HD22 ASN A 108 8.157 -4.661 -11.761 1.00 14.32 H new ATOM 1700 N LYS A 109 4.208 -5.143 -9.725 1.00 63.23 N ATOM 1701 CA LYS A 109 3.082 -5.878 -9.125 1.00 63.33 C ATOM 1702 C LYS A 109 2.337 -5.011 -8.098 1.00 72.41 C ATOM 1703 O LYS A 109 1.108 -4.898 -8.129 1.00 12.13 O ATOM 1704 CB LYS A 109 3.591 -7.157 -8.443 1.00 21.14 C ATOM 1705 CG LYS A 109 4.026 -8.252 -9.410 1.00 64.10 C ATOM 1706 CD LYS A 109 2.836 -8.985 -10.025 1.00 63.41 C ATOM 1707 CE LYS A 109 2.003 -9.692 -8.961 1.00 15.41 C ATOM 1708 NZ LYS A 109 0.902 -10.495 -9.553 1.00 65.33 N ATOM 0 H LYS A 109 5.112 -5.602 -9.613 1.00 63.23 H new ATOM 0 HA LYS A 109 2.389 -6.140 -9.924 1.00 63.33 H new ATOM 0 HB2 LYS A 109 4.433 -6.901 -7.799 1.00 21.14 H new ATOM 0 HB3 LYS A 109 2.804 -7.549 -7.798 1.00 21.14 H new ATOM 0 HG2 LYS A 109 4.630 -7.814 -10.204 1.00 64.10 H new ATOM 0 HG3 LYS A 109 4.659 -8.967 -8.885 1.00 64.10 H new ATOM 0 HD2 LYS A 109 2.210 -8.275 -10.566 1.00 63.41 H new ATOM 0 HD3 LYS A 109 3.193 -9.714 -10.753 1.00 63.41 H new ATOM 0 HE2 LYS A 109 2.648 -10.342 -8.370 1.00 15.41 H new ATOM 0 HE3 LYS A 109 1.585 -8.952 -8.278 1.00 15.41 H new ATOM 0 HZ1 LYS A 109 0.363 -10.957 -8.794 1.00 65.33 H new ATOM 0 HZ2 LYS A 109 0.271 -9.872 -10.096 1.00 65.33 H new ATOM 0 HZ3 LYS A 109 1.301 -11.219 -10.184 1.00 65.33 H new ATOM 1722 N VAL A 110 3.099 -4.401 -7.195 1.00 52.43 N ATOM 1723 CA VAL A 110 2.538 -3.545 -6.146 1.00 21.00 C ATOM 1724 C VAL A 110 1.868 -2.304 -6.748 1.00 45.52 C ATOM 1725 O VAL A 110 0.724 -1.981 -6.429 1.00 40.23 O ATOM 1726 CB VAL A 110 3.637 -3.094 -5.154 1.00 61.04 C ATOM 1727 CG1 VAL A 110 3.035 -2.321 -3.980 1.00 54.42 C ATOM 1728 CG2 VAL A 110 4.445 -4.297 -4.668 1.00 41.41 C ATOM 0 H VAL A 110 4.115 -4.483 -7.166 1.00 52.43 H new ATOM 0 HA VAL A 110 1.791 -4.133 -5.614 1.00 21.00 H new ATOM 0 HB VAL A 110 4.314 -2.419 -5.678 1.00 61.04 H new ATOM 0 HG11 VAL A 110 3.830 -2.017 -3.299 1.00 54.42 H new ATOM 0 HG12 VAL A 110 2.518 -1.437 -4.353 1.00 54.42 H new ATOM 0 HG13 VAL A 110 2.327 -2.958 -3.450 1.00 54.42 H new ATOM 0 HG21 VAL A 110 5.213 -3.962 -3.971 1.00 41.41 H new ATOM 0 HG22 VAL A 110 3.782 -5.002 -4.166 1.00 41.41 H new ATOM 0 HG23 VAL A 110 4.917 -4.787 -5.520 1.00 41.41 H new ATOM 1738 N LEU A 111 2.593 -1.624 -7.631 1.00 15.12 N ATOM 1739 CA LEU A 111 2.104 -0.411 -8.281 1.00 50.34 C ATOM 1740 C LEU A 111 0.814 -0.679 -9.076 1.00 33.30 C ATOM 1741 O LEU A 111 -0.155 0.068 -8.962 1.00 14.11 O ATOM 1742 CB LEU A 111 3.194 0.166 -9.197 1.00 15.21 C ATOM 1743 CG LEU A 111 2.911 1.569 -9.757 1.00 1.40 C ATOM 1744 CD1 LEU A 111 2.696 2.571 -8.623 1.00 33.40 C ATOM 1745 CD2 LEU A 111 4.050 2.019 -10.670 1.00 51.10 C ATOM 0 H LEU A 111 3.534 -1.897 -7.916 1.00 15.12 H new ATOM 0 HA LEU A 111 1.865 0.318 -7.507 1.00 50.34 H new ATOM 0 HB2 LEU A 111 4.132 0.197 -8.642 1.00 15.21 H new ATOM 0 HB3 LEU A 111 3.341 -0.517 -10.033 1.00 15.21 H new ATOM 0 HG LEU A 111 1.996 1.526 -10.347 1.00 1.40 H new ATOM 0 HD11 LEU A 111 2.497 3.557 -9.042 1.00 33.40 H new ATOM 0 HD12 LEU A 111 1.847 2.257 -8.016 1.00 33.40 H new ATOM 0 HD13 LEU A 111 3.590 2.614 -8.001 1.00 33.40 H new ATOM 0 HD21 LEU A 111 3.834 3.014 -11.058 1.00 51.10 H new ATOM 0 HD22 LEU A 111 4.981 2.045 -10.104 1.00 51.10 H new ATOM 0 HD23 LEU A 111 4.149 1.320 -11.500 1.00 51.10 H new ATOM 1757 N SER A 112 0.804 -1.750 -9.872 1.00 33.30 N ATOM 1758 CA SER A 112 -0.402 -2.150 -10.619 1.00 60.03 C ATOM 1759 C SER A 112 -1.602 -2.344 -9.680 1.00 42.22 C ATOM 1760 O SER A 112 -2.734 -1.987 -10.019 1.00 65.12 O ATOM 1761 CB SER A 112 -0.155 -3.444 -11.414 1.00 71.24 C ATOM 1762 OG SER A 112 0.782 -3.242 -12.462 1.00 2.40 O ATOM 0 H SER A 112 1.611 -2.357 -10.019 1.00 33.30 H new ATOM 0 HA SER A 112 -0.631 -1.344 -11.316 1.00 60.03 H new ATOM 0 HB2 SER A 112 0.211 -4.220 -10.742 1.00 71.24 H new ATOM 0 HB3 SER A 112 -1.097 -3.801 -11.831 1.00 71.24 H new ATOM 0 HG SER A 112 1.691 -3.272 -12.098 1.00 2.40 H new ATOM 1768 N SER A 113 -1.344 -2.910 -8.500 1.00 34.05 N ATOM 1769 CA SER A 113 -2.386 -3.092 -7.477 1.00 73.22 C ATOM 1770 C SER A 113 -2.885 -1.740 -6.945 1.00 72.50 C ATOM 1771 O SER A 113 -4.088 -1.474 -6.933 1.00 40.13 O ATOM 1772 CB SER A 113 -1.862 -3.942 -6.310 1.00 42.42 C ATOM 1773 OG SER A 113 -2.852 -4.108 -5.309 1.00 25.30 O ATOM 0 H SER A 113 -0.423 -3.252 -8.225 1.00 34.05 H new ATOM 0 HA SER A 113 -3.220 -3.610 -7.950 1.00 73.22 H new ATOM 0 HB2 SER A 113 -1.549 -4.918 -6.680 1.00 42.42 H new ATOM 0 HB3 SER A 113 -0.981 -3.467 -5.878 1.00 42.42 H new ATOM 0 HG SER A 113 -3.455 -4.837 -5.563 1.00 25.30 H new ATOM 1779 N LEU A 114 -1.949 -0.884 -6.526 1.00 11.11 N ATOM 1780 CA LEU A 114 -2.282 0.456 -6.023 1.00 4.04 C ATOM 1781 C LEU A 114 -3.088 1.263 -7.056 1.00 31.03 C ATOM 1782 O LEU A 114 -4.105 1.875 -6.728 1.00 40.35 O ATOM 1783 CB LEU A 114 -0.997 1.215 -5.657 1.00 74.41 C ATOM 1784 CG LEU A 114 -0.131 0.561 -4.564 1.00 43.31 C ATOM 1785 CD1 LEU A 114 1.163 1.345 -4.354 1.00 32.20 C ATOM 1786 CD2 LEU A 114 -0.910 0.444 -3.254 1.00 12.45 C ATOM 0 H LEU A 114 -0.951 -1.094 -6.524 1.00 11.11 H new ATOM 0 HA LEU A 114 -2.900 0.334 -5.134 1.00 4.04 H new ATOM 0 HB2 LEU A 114 -0.392 1.327 -6.557 1.00 74.41 H new ATOM 0 HB3 LEU A 114 -1.269 2.218 -5.329 1.00 74.41 H new ATOM 0 HG LEU A 114 0.131 -0.444 -4.896 1.00 43.31 H new ATOM 0 HD11 LEU A 114 1.758 0.864 -3.578 1.00 32.20 H new ATOM 0 HD12 LEU A 114 1.730 1.367 -5.284 1.00 32.20 H new ATOM 0 HD13 LEU A 114 0.926 2.364 -4.050 1.00 32.20 H new ATOM 0 HD21 LEU A 114 -0.279 -0.021 -2.496 1.00 12.45 H new ATOM 0 HD22 LEU A 114 -1.209 1.437 -2.918 1.00 12.45 H new ATOM 0 HD23 LEU A 114 -1.798 -0.168 -3.412 1.00 12.45 H new ATOM 1798 N VAL A 115 -2.625 1.253 -8.305 1.00 3.35 N ATOM 1799 CA VAL A 115 -3.331 1.930 -9.400 1.00 64.34 C ATOM 1800 C VAL A 115 -4.743 1.360 -9.586 1.00 30.33 C ATOM 1801 O VAL A 115 -5.702 2.108 -9.763 1.00 13.53 O ATOM 1802 CB VAL A 115 -2.555 1.816 -10.736 1.00 61.43 C ATOM 1803 CG1 VAL A 115 -3.327 2.471 -11.882 1.00 64.34 C ATOM 1804 CG2 VAL A 115 -1.165 2.430 -10.601 1.00 3.14 C ATOM 0 H VAL A 115 -1.764 0.784 -8.587 1.00 3.35 H new ATOM 0 HA VAL A 115 -3.402 2.982 -9.124 1.00 64.34 H new ATOM 0 HB VAL A 115 -2.444 0.758 -10.972 1.00 61.43 H new ATOM 0 HG11 VAL A 115 -2.757 2.375 -12.806 1.00 64.34 H new ATOM 0 HG12 VAL A 115 -4.293 1.979 -11.998 1.00 64.34 H new ATOM 0 HG13 VAL A 115 -3.482 3.527 -11.660 1.00 64.34 H new ATOM 0 HG21 VAL A 115 -0.634 2.341 -11.549 1.00 3.14 H new ATOM 0 HG22 VAL A 115 -1.257 3.483 -10.334 1.00 3.14 H new ATOM 0 HG23 VAL A 115 -0.610 1.906 -9.824 1.00 3.14 H new ATOM 1814 N THR A 116 -4.872 0.033 -9.537 1.00 73.25 N ATOM 1815 CA THR A 116 -6.190 -0.613 -9.630 1.00 2.43 C ATOM 1816 C THR A 116 -7.088 -0.191 -8.465 1.00 30.55 C ATOM 1817 O THR A 116 -8.283 0.045 -8.640 1.00 61.31 O ATOM 1818 CB THR A 116 -6.091 -2.159 -9.648 1.00 1.41 C ATOM 1819 OG1 THR A 116 -5.291 -2.590 -10.761 1.00 54.23 O ATOM 1820 CG2 THR A 116 -7.478 -2.800 -9.737 1.00 1.10 C ATOM 0 H THR A 116 -4.090 -0.614 -9.434 1.00 73.25 H new ATOM 0 HA THR A 116 -6.624 -0.284 -10.574 1.00 2.43 H new ATOM 0 HB THR A 116 -5.622 -2.476 -8.716 1.00 1.41 H new ATOM 0 HG1 THR A 116 -4.345 -2.421 -10.569 1.00 54.23 H new ATOM 0 HG21 THR A 116 -7.377 -3.885 -9.748 1.00 1.10 H new ATOM 0 HG22 THR A 116 -8.074 -2.499 -8.875 1.00 1.10 H new ATOM 0 HG23 THR A 116 -7.972 -2.472 -10.652 1.00 1.10 H new ATOM 1828 N LEU A 117 -6.496 -0.091 -7.276 1.00 1.04 N ATOM 1829 CA LEU A 117 -7.213 0.381 -6.089 1.00 63.12 C ATOM 1830 C LEU A 117 -7.712 1.820 -6.299 1.00 33.13 C ATOM 1831 O LEU A 117 -8.832 2.161 -5.923 1.00 64.12 O ATOM 1832 CB LEU A 117 -6.298 0.300 -4.857 1.00 52.32 C ATOM 1833 CG LEU A 117 -6.940 0.700 -3.517 1.00 60.01 C ATOM 1834 CD1 LEU A 117 -8.143 -0.184 -3.201 1.00 71.31 C ATOM 1835 CD2 LEU A 117 -5.911 0.628 -2.393 1.00 14.52 C ATOM 0 H LEU A 117 -5.519 -0.331 -7.107 1.00 1.04 H new ATOM 0 HA LEU A 117 -8.080 -0.259 -5.923 1.00 63.12 H new ATOM 0 HB2 LEU A 117 -5.927 -0.721 -4.770 1.00 52.32 H new ATOM 0 HB3 LEU A 117 -5.432 0.940 -5.028 1.00 52.32 H new ATOM 0 HG LEU A 117 -7.292 1.728 -3.602 1.00 60.01 H new ATOM 0 HD11 LEU A 117 -8.578 0.120 -2.249 1.00 71.31 H new ATOM 0 HD12 LEU A 117 -8.888 -0.080 -3.990 1.00 71.31 H new ATOM 0 HD13 LEU A 117 -7.824 -1.224 -3.138 1.00 71.31 H new ATOM 0 HD21 LEU A 117 -6.380 0.914 -1.451 1.00 14.52 H new ATOM 0 HD22 LEU A 117 -5.529 -0.390 -2.314 1.00 14.52 H new ATOM 0 HD23 LEU A 117 -5.088 1.309 -2.609 1.00 14.52 H new ATOM 1847 N ASN A 118 -6.872 2.650 -6.914 1.00 34.13 N ATOM 1848 CA ASN A 118 -7.257 4.017 -7.289 1.00 1.34 C ATOM 1849 C ASN A 118 -8.392 4.004 -8.333 1.00 11.22 C ATOM 1850 O ASN A 118 -9.380 4.716 -8.189 1.00 32.23 O ATOM 1851 CB ASN A 118 -6.033 4.769 -7.835 1.00 50.32 C ATOM 1852 CG ASN A 118 -6.362 6.174 -8.316 1.00 60.31 C ATOM 1853 OD1 ASN A 118 -6.680 6.388 -9.479 1.00 31.44 O ATOM 1854 ND2 ASN A 118 -6.276 7.143 -7.427 1.00 45.34 N ATOM 0 H ASN A 118 -5.915 2.402 -7.166 1.00 34.13 H new ATOM 0 HA ASN A 118 -7.626 4.531 -6.401 1.00 1.34 H new ATOM 0 HB2 ASN A 118 -5.272 4.827 -7.056 1.00 50.32 H new ATOM 0 HB3 ASN A 118 -5.603 4.201 -8.659 1.00 50.32 H new ATOM 0 HD21 ASN A 118 -6.477 8.105 -7.700 1.00 45.34 H new ATOM 0 HD22 ASN A 118 -6.008 6.931 -6.466 1.00 45.34 H new ATOM 1861 N LYS A 119 -8.239 3.176 -9.367 1.00 55.31 N ATOM 1862 CA LYS A 119 -9.247 3.042 -10.432 1.00 72.20 C ATOM 1863 C LYS A 119 -10.629 2.660 -9.873 1.00 32.42 C ATOM 1864 O LYS A 119 -11.615 3.365 -10.089 1.00 54.21 O ATOM 1865 CB LYS A 119 -8.791 1.985 -11.451 1.00 52.20 C ATOM 1866 CG LYS A 119 -7.553 2.383 -12.250 1.00 3.33 C ATOM 1867 CD LYS A 119 -6.961 1.203 -13.024 1.00 13.10 C ATOM 1868 CE LYS A 119 -7.966 0.574 -13.987 1.00 62.54 C ATOM 1869 NZ LYS A 119 -7.382 -0.582 -14.719 1.00 63.12 N ATOM 0 H LYS A 119 -7.420 2.581 -9.494 1.00 55.31 H new ATOM 0 HA LYS A 119 -9.343 4.013 -10.919 1.00 72.20 H new ATOM 0 HB2 LYS A 119 -8.586 1.053 -10.924 1.00 52.20 H new ATOM 0 HB3 LYS A 119 -9.609 1.787 -12.144 1.00 52.20 H new ATOM 0 HG2 LYS A 119 -7.813 3.179 -12.948 1.00 3.33 H new ATOM 0 HG3 LYS A 119 -6.800 2.786 -11.573 1.00 3.33 H new ATOM 0 HD2 LYS A 119 -6.088 1.540 -13.583 1.00 13.10 H new ATOM 0 HD3 LYS A 119 -6.615 0.447 -12.319 1.00 13.10 H new ATOM 0 HE2 LYS A 119 -8.845 0.246 -13.432 1.00 62.54 H new ATOM 0 HE3 LYS A 119 -8.303 1.324 -14.702 1.00 62.54 H new ATOM 0 HZ1 LYS A 119 -8.095 -0.981 -15.362 1.00 63.12 H new ATOM 0 HZ2 LYS A 119 -6.558 -0.264 -15.269 1.00 63.12 H new ATOM 0 HZ3 LYS A 119 -7.084 -1.309 -14.038 1.00 63.12 H new ATOM 1883 N VAL A 120 -10.693 1.540 -9.148 1.00 0.34 N ATOM 1884 CA VAL A 120 -11.965 1.039 -8.617 1.00 41.24 C ATOM 1885 C VAL A 120 -12.616 2.028 -7.629 1.00 41.44 C ATOM 1886 O VAL A 120 -13.818 2.278 -7.700 1.00 32.43 O ATOM 1887 CB VAL A 120 -11.804 -0.349 -7.938 1.00 13.32 C ATOM 1888 CG1 VAL A 120 -11.344 -1.396 -8.951 1.00 1.43 C ATOM 1889 CG2 VAL A 120 -10.833 -0.279 -6.761 1.00 1.15 C ATOM 0 H VAL A 120 -9.883 0.965 -8.916 1.00 0.34 H new ATOM 0 HA VAL A 120 -12.625 0.931 -9.478 1.00 41.24 H new ATOM 0 HB VAL A 120 -12.779 -0.646 -7.552 1.00 13.32 H new ATOM 0 HG11 VAL A 120 -11.238 -2.361 -8.455 1.00 1.43 H new ATOM 0 HG12 VAL A 120 -12.081 -1.478 -9.749 1.00 1.43 H new ATOM 0 HG13 VAL A 120 -10.384 -1.097 -9.373 1.00 1.43 H new ATOM 0 HG21 VAL A 120 -10.741 -1.265 -6.306 1.00 1.15 H new ATOM 0 HG22 VAL A 120 -9.856 0.050 -7.115 1.00 1.15 H new ATOM 0 HG23 VAL A 120 -11.208 0.428 -6.021 1.00 1.15 H new ATOM 1899 N THR A 121 -11.822 2.610 -6.727 1.00 24.22 N ATOM 1900 CA THR A 121 -12.357 3.558 -5.737 1.00 3.35 C ATOM 1901 C THR A 121 -12.678 4.915 -6.373 1.00 13.10 C ATOM 1902 O THR A 121 -13.546 5.643 -5.890 1.00 32.51 O ATOM 1903 CB THR A 121 -11.399 3.764 -4.541 1.00 54.45 C ATOM 1904 OG1 THR A 121 -10.145 4.298 -4.989 1.00 51.15 O ATOM 1905 CG2 THR A 121 -11.174 2.447 -3.800 1.00 5.13 C ATOM 0 H THR A 121 -10.818 2.447 -6.658 1.00 24.22 H new ATOM 0 HA THR A 121 -13.279 3.112 -5.363 1.00 3.35 H new ATOM 0 HB THR A 121 -11.858 4.476 -3.855 1.00 54.45 H new ATOM 0 HG1 THR A 121 -9.666 3.617 -5.506 1.00 51.15 H new ATOM 0 HG21 THR A 121 -10.497 2.612 -2.962 1.00 5.13 H new ATOM 0 HG22 THR A 121 -12.127 2.071 -3.428 1.00 5.13 H new ATOM 0 HG23 THR A 121 -10.737 1.717 -4.481 1.00 5.13 H new ATOM 1913 N ALA A 122 -11.983 5.254 -7.458 1.00 21.33 N ATOM 1914 CA ALA A 122 -12.328 6.439 -8.252 1.00 51.34 C ATOM 1915 C ALA A 122 -13.685 6.239 -8.931 1.00 33.21 C ATOM 1916 O ALA A 122 -14.486 7.167 -9.048 1.00 44.40 O ATOM 1917 CB ALA A 122 -11.246 6.731 -9.289 1.00 10.24 C ATOM 0 H ALA A 122 -11.181 4.730 -7.808 1.00 21.33 H new ATOM 0 HA ALA A 122 -12.394 7.297 -7.583 1.00 51.34 H new ATOM 0 HB1 ALA A 122 -11.523 7.613 -9.866 1.00 10.24 H new ATOM 0 HB2 ALA A 122 -10.297 6.911 -8.784 1.00 10.24 H new ATOM 0 HB3 ALA A 122 -11.144 5.877 -9.959 1.00 10.24 H new ATOM 1923 N ASP A 123 -13.937 5.010 -9.377 1.00 60.32 N ATOM 1924 CA ASP A 123 -15.240 4.630 -9.919 1.00 0.11 C ATOM 1925 C ASP A 123 -16.330 4.739 -8.837 1.00 12.54 C ATOM 1926 O ASP A 123 -17.467 5.118 -9.116 1.00 40.23 O ATOM 1927 CB ASP A 123 -15.170 3.204 -10.480 1.00 12.22 C ATOM 1928 CG ASP A 123 -16.437 2.803 -11.210 1.00 11.31 C ATOM 1929 OD1 ASP A 123 -16.696 3.357 -12.300 1.00 63.21 O ATOM 1930 OD2 ASP A 123 -17.185 1.944 -10.702 1.00 24.42 O ATOM 0 H ASP A 123 -13.251 4.256 -9.373 1.00 60.32 H new ATOM 0 HA ASP A 123 -15.502 5.313 -10.727 1.00 0.11 H new ATOM 0 HB2 ASP A 123 -14.322 3.126 -11.161 1.00 12.22 H new ATOM 0 HB3 ASP A 123 -14.988 2.505 -9.664 1.00 12.22 H new