USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 607 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 THR OG1 : rot -94:sc= 1.08 USER MOD Set 1.2: A 81 THR OG1 : rot 171:sc= 0.483 USER MOD Set 2.1: A 66 LYS NZ :NH3+ 178:sc= 0 (180deg=0) USER MOD Set 2.2: A 89 GLN : amide:sc= -0.356 K(o=-0.41,f=-1.3) USER MOD Set 2.3: A 90 LYS NZ :NH3+ 161:sc= -0.0533 (180deg=-0.346) USER MOD Set 3.1: A 37 MET CE :methyl 165:sc= -0.412 (180deg=-1.56) USER MOD Set 3.2: A 48 LYS NZ :NH3+ 159:sc= -0.0295 (180deg=0) USER MOD Single : A 23 TYR OH : rot -178:sc= -0.598 USER MOD Single : A 25 SER OG : rot 180:sc= 0.00495 USER MOD Single : A 29 ASN : amide:sc= -0.129 K(o=-0.13,f=-0.69) USER MOD Single : A 30 ASN : amide:sc= -0.0393 K(o=-0.039,f=-0.64) USER MOD Single : A 35 GLN :FLIP amide:sc= -0.0681 F(o=-0.8,f=-0.068) USER MOD Single : A 41 THR OG1 : rot 38:sc= 0.00254 USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 150:sc= -0.0663 (180deg=-0.596) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 67 TYR OH : rot -160:sc= 0.106 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.0306 X(o=-0.031,f=-0.12) USER MOD Single : A 80 SER OG : rot 180:sc= -0.136 USER MOD Single : A 82 LYS NZ :NH3+ -174:sc= -1.25 (180deg=-1.29) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -1.1 X(o=-1.1,f=-0.9) USER MOD Single : A 98 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 100 THR OG1 : rot 180:sc=-0.000811 USER MOD Single : A 102 SER OG : rot 180:sc= 0.0105 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -113:sc= -0.169 (180deg=-1.12) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.723 USER MOD Single : A 109 THR OG1 : rot -13:sc= 0.154 USER MOD ----------------------------------------------------------------- ATOM 257 N ALA A 19 42.938 -30.646 -15.863 1.00 24.43 N ATOM 258 CA ALA A 19 41.981 -31.334 -15.007 1.00 2.44 C ATOM 259 C ALA A 19 40.975 -30.357 -14.410 1.00 23.02 C ATOM 260 O ALA A 19 41.250 -29.163 -14.293 1.00 11.12 O ATOM 261 CB ALA A 19 42.709 -32.086 -13.900 1.00 40.12 C ATOM 0 HA ALA A 19 41.433 -32.050 -15.620 1.00 2.44 H new ATOM 0 HB1 ALA A 19 41.982 -32.596 -13.268 1.00 40.12 H new ATOM 0 HB2 ALA A 19 43.384 -32.820 -14.341 1.00 40.12 H new ATOM 0 HB3 ALA A 19 43.283 -31.381 -13.298 1.00 40.12 H new ATOM 267 N GLU A 20 39.807 -30.872 -14.035 1.00 1.14 N ATOM 268 CA GLU A 20 38.760 -30.041 -13.451 1.00 13.32 C ATOM 269 C GLU A 20 38.727 -28.665 -14.109 1.00 13.42 C ATOM 270 O GLU A 20 38.730 -27.641 -13.427 1.00 70.24 O ATOM 271 CB GLU A 20 38.975 -29.894 -11.944 1.00 54.44 C ATOM 272 CG GLU A 20 40.271 -29.191 -11.580 1.00 41.31 C ATOM 273 CD GLU A 20 41.437 -30.150 -11.442 1.00 42.45 C ATOM 274 OE1 GLU A 20 41.198 -31.329 -11.105 1.00 11.22 O ATOM 275 OE2 GLU A 20 42.587 -29.723 -11.670 1.00 24.11 O ATOM 0 H GLU A 20 39.563 -31.858 -14.125 1.00 1.14 H new ATOM 0 HA GLU A 20 37.802 -30.531 -13.627 1.00 13.32 H new ATOM 0 HB2 GLU A 20 38.139 -29.339 -11.519 1.00 54.44 H new ATOM 0 HB3 GLU A 20 38.967 -30.883 -11.486 1.00 54.44 H new ATOM 0 HG2 GLU A 20 40.504 -28.449 -12.344 1.00 41.31 H new ATOM 0 HG3 GLU A 20 40.136 -28.652 -10.642 1.00 41.31 H new ATOM 282 N TRP A 21 38.696 -28.652 -15.436 1.00 64.34 N ATOM 283 CA TRP A 21 38.663 -27.401 -16.187 1.00 61.55 C ATOM 284 C TRP A 21 37.435 -26.577 -15.818 1.00 52.50 C ATOM 285 O TRP A 21 36.325 -27.102 -15.732 1.00 54.40 O ATOM 286 CB TRP A 21 38.670 -27.684 -17.689 1.00 30.31 C ATOM 287 CG TRP A 21 39.912 -28.382 -18.157 1.00 52.35 C ATOM 288 CD1 TRP A 21 40.260 -29.681 -17.921 1.00 42.53 C ATOM 289 CD2 TRP A 21 40.970 -27.817 -18.938 1.00 51.34 C ATOM 290 NE1 TRP A 21 41.470 -29.959 -18.509 1.00 23.13 N ATOM 291 CE2 TRP A 21 41.925 -28.831 -19.140 1.00 34.32 C ATOM 292 CE3 TRP A 21 41.202 -26.555 -19.491 1.00 44.01 C ATOM 293 CZ2 TRP A 21 43.093 -28.619 -19.868 1.00 21.24 C ATOM 294 CZ3 TRP A 21 42.361 -26.345 -20.212 1.00 0.30 C ATOM 295 CH2 TRP A 21 43.295 -27.373 -20.396 1.00 72.43 C ATOM 0 H TRP A 21 38.693 -29.492 -16.015 1.00 64.34 H new ATOM 0 HA TRP A 21 39.553 -26.827 -15.929 1.00 61.55 H new ATOM 0 HB2 TRP A 21 37.802 -28.294 -17.940 1.00 30.31 H new ATOM 0 HB3 TRP A 21 38.565 -26.743 -18.229 1.00 30.31 H new ATOM 0 HD1 TRP A 21 39.670 -30.387 -17.355 1.00 42.53 H new ATOM 0 HE1 TRP A 21 41.951 -30.858 -18.481 1.00 23.13 H new ATOM 0 HE3 TRP A 21 40.487 -25.757 -19.357 1.00 44.01 H new ATOM 0 HZ2 TRP A 21 43.814 -29.410 -20.011 1.00 21.24 H new ATOM 0 HZ3 TRP A 21 42.551 -25.372 -20.641 1.00 0.30 H new ATOM 0 HH2 TRP A 21 44.192 -27.178 -20.966 1.00 72.43 H new ATOM 306 N LEU A 22 37.639 -25.282 -15.601 1.00 12.44 N ATOM 307 CA LEU A 22 36.548 -24.385 -15.241 1.00 4.11 C ATOM 308 C LEU A 22 36.153 -23.506 -16.425 1.00 42.44 C ATOM 309 O LEU A 22 36.910 -22.631 -16.841 1.00 61.53 O ATOM 310 CB LEU A 22 36.951 -23.508 -14.054 1.00 14.41 C ATOM 311 CG LEU A 22 37.505 -24.245 -12.834 1.00 13.23 C ATOM 312 CD1 LEU A 22 36.734 -25.534 -12.594 1.00 53.11 C ATOM 313 CD2 LEU A 22 38.988 -24.534 -13.014 1.00 73.23 C ATOM 0 H LEU A 22 38.551 -24.830 -15.668 1.00 12.44 H new ATOM 0 HA LEU A 22 35.689 -24.994 -14.960 1.00 4.11 H new ATOM 0 HB2 LEU A 22 37.701 -22.794 -14.394 1.00 14.41 H new ATOM 0 HB3 LEU A 22 36.080 -22.932 -13.741 1.00 14.41 H new ATOM 0 HG LEU A 22 37.383 -23.605 -11.960 1.00 13.23 H new ATOM 0 HD11 LEU A 22 37.142 -26.045 -11.722 1.00 53.11 H new ATOM 0 HD12 LEU A 22 35.683 -25.302 -12.420 1.00 53.11 H new ATOM 0 HD13 LEU A 22 36.823 -26.180 -13.468 1.00 53.11 H new ATOM 0 HD21 LEU A 22 39.366 -25.059 -12.136 1.00 73.23 H new ATOM 0 HD22 LEU A 22 39.133 -25.155 -13.898 1.00 73.23 H new ATOM 0 HD23 LEU A 22 39.529 -23.596 -13.136 1.00 73.23 H new ATOM 325 N TYR A 23 34.960 -23.745 -16.960 1.00 2.13 N ATOM 326 CA TYR A 23 34.464 -22.976 -18.094 1.00 43.24 C ATOM 327 C TYR A 23 33.405 -21.973 -17.650 1.00 63.12 C ATOM 328 O TYR A 23 32.890 -22.047 -16.536 1.00 43.12 O ATOM 329 CB TYR A 23 33.882 -23.911 -19.155 1.00 35.11 C ATOM 330 CG TYR A 23 34.419 -25.323 -19.078 1.00 3.44 C ATOM 331 CD1 TYR A 23 33.834 -26.263 -18.237 1.00 53.44 C ATOM 332 CD2 TYR A 23 35.509 -25.717 -19.844 1.00 11.00 C ATOM 333 CE1 TYR A 23 34.321 -27.554 -18.163 1.00 30.23 C ATOM 334 CE2 TYR A 23 36.001 -27.006 -19.776 1.00 23.13 C ATOM 335 CZ TYR A 23 35.404 -27.920 -18.934 1.00 15.54 C ATOM 336 OH TYR A 23 35.892 -29.206 -18.862 1.00 73.42 O ATOM 0 H TYR A 23 34.319 -24.465 -16.626 1.00 2.13 H new ATOM 0 HA TYR A 23 35.302 -22.427 -18.523 1.00 43.24 H new ATOM 0 HB2 TYR A 23 32.798 -23.937 -19.049 1.00 35.11 H new ATOM 0 HB3 TYR A 23 34.096 -23.503 -20.143 1.00 35.11 H new ATOM 0 HD1 TYR A 23 32.985 -25.980 -17.632 1.00 53.44 H new ATOM 0 HD2 TYR A 23 35.980 -25.003 -20.504 1.00 11.00 H new ATOM 0 HE1 TYR A 23 33.856 -28.273 -17.505 1.00 30.23 H new ATOM 0 HE2 TYR A 23 36.849 -27.296 -20.379 1.00 23.13 H new ATOM 0 HH TYR A 23 36.676 -29.292 -19.444 1.00 73.42 H new ATOM 346 N GLY A 24 33.082 -21.031 -18.533 1.00 74.23 N ATOM 347 CA GLY A 24 32.085 -20.026 -18.217 1.00 24.45 C ATOM 348 C GLY A 24 30.752 -20.300 -18.883 1.00 54.21 C ATOM 349 O GLY A 24 30.239 -21.418 -18.822 1.00 43.15 O ATOM 0 H GLY A 24 33.494 -20.947 -19.462 1.00 74.23 H new ATOM 0 HA2 GLY A 24 31.946 -19.984 -17.137 1.00 24.45 H new ATOM 0 HA3 GLY A 24 32.449 -19.047 -18.529 1.00 24.45 H new ATOM 353 N SER A 25 30.189 -19.279 -19.519 1.00 65.54 N ATOM 354 CA SER A 25 28.903 -19.414 -20.195 1.00 33.25 C ATOM 355 C SER A 25 29.016 -20.349 -21.395 1.00 61.40 C ATOM 356 O SER A 25 30.117 -20.691 -21.828 1.00 41.40 O ATOM 357 CB SER A 25 28.395 -18.044 -20.647 1.00 13.41 C ATOM 358 OG SER A 25 29.410 -17.318 -21.317 1.00 30.14 O ATOM 0 H SER A 25 30.602 -18.349 -19.581 1.00 65.54 H new ATOM 0 HA SER A 25 28.192 -19.842 -19.489 1.00 33.25 H new ATOM 0 HB2 SER A 25 27.538 -18.171 -21.308 1.00 13.41 H new ATOM 0 HB3 SER A 25 28.049 -17.478 -19.782 1.00 13.41 H new ATOM 0 HG SER A 25 29.059 -16.447 -21.597 1.00 30.14 H new ATOM 364 N CYS A 26 27.870 -20.758 -21.928 1.00 23.32 N ATOM 365 CA CYS A 26 27.837 -21.653 -23.078 1.00 23.25 C ATOM 366 C CYS A 26 27.503 -20.887 -24.355 1.00 72.00 C ATOM 367 O CYS A 26 26.585 -20.066 -24.377 1.00 74.34 O ATOM 368 CB CYS A 26 26.812 -22.767 -22.855 1.00 74.31 C ATOM 369 SG CYS A 26 27.399 -24.113 -21.777 1.00 32.21 S ATOM 0 H CYS A 26 26.951 -20.483 -21.581 1.00 23.32 H new ATOM 0 HA CYS A 26 28.827 -22.096 -23.190 1.00 23.25 H new ATOM 0 HB2 CYS A 26 25.911 -22.335 -22.421 1.00 74.31 H new ATOM 0 HB3 CYS A 26 26.531 -23.186 -23.821 1.00 74.31 H new ATOM 375 N VAL A 27 28.254 -21.161 -25.417 1.00 12.23 N ATOM 376 CA VAL A 27 28.037 -20.500 -26.698 1.00 73.20 C ATOM 377 C VAL A 27 27.437 -21.461 -27.719 1.00 24.24 C ATOM 378 O VAL A 27 28.086 -22.418 -28.139 1.00 61.43 O ATOM 379 CB VAL A 27 29.349 -19.924 -27.262 1.00 21.53 C ATOM 380 CG1 VAL A 27 29.072 -19.061 -28.483 1.00 22.23 C ATOM 381 CG2 VAL A 27 30.083 -19.128 -26.192 1.00 32.15 C ATOM 0 H VAL A 27 29.018 -21.836 -25.415 1.00 12.23 H new ATOM 0 HA VAL A 27 27.338 -19.683 -26.517 1.00 73.20 H new ATOM 0 HB VAL A 27 29.987 -20.752 -27.570 1.00 21.53 H new ATOM 0 HG11 VAL A 27 30.011 -18.663 -28.868 1.00 22.23 H new ATOM 0 HG12 VAL A 27 28.591 -19.664 -29.253 1.00 22.23 H new ATOM 0 HG13 VAL A 27 28.415 -18.237 -28.205 1.00 22.23 H new ATOM 0 HG21 VAL A 27 31.008 -18.728 -26.607 1.00 32.15 H new ATOM 0 HG22 VAL A 27 29.452 -18.306 -25.853 1.00 32.15 H new ATOM 0 HG23 VAL A 27 30.315 -19.779 -25.349 1.00 32.15 H new ATOM 391 N ALA A 28 26.195 -21.198 -28.112 1.00 12.14 N ATOM 392 CA ALA A 28 25.509 -22.039 -29.085 1.00 31.35 C ATOM 393 C ALA A 28 26.198 -21.981 -30.443 1.00 72.31 C ATOM 394 O ALA A 28 26.739 -20.945 -30.832 1.00 3.41 O ATOM 395 CB ALA A 28 24.052 -21.617 -29.211 1.00 12.21 C ATOM 0 H ALA A 28 25.644 -20.410 -27.772 1.00 12.14 H new ATOM 0 HA ALA A 28 25.549 -23.069 -28.731 1.00 31.35 H new ATOM 0 HB1 ALA A 28 23.551 -22.253 -29.941 1.00 12.21 H new ATOM 0 HB2 ALA A 28 23.559 -21.717 -28.244 1.00 12.21 H new ATOM 0 HB3 ALA A 28 24.001 -20.579 -29.539 1.00 12.21 H new ATOM 401 N ASN A 29 26.175 -23.098 -31.162 1.00 22.43 N ATOM 402 CA ASN A 29 26.800 -23.175 -32.477 1.00 64.24 C ATOM 403 C ASN A 29 26.318 -22.038 -33.375 1.00 73.13 C ATOM 404 O ASN A 29 27.051 -21.083 -33.631 1.00 4.44 O ATOM 405 CB ASN A 29 26.494 -24.522 -33.134 1.00 52.41 C ATOM 406 CG ASN A 29 27.673 -25.473 -33.078 1.00 2.51 C ATOM 407 OD1 ASN A 29 28.821 -25.068 -33.261 1.00 54.35 O ATOM 408 ND2 ASN A 29 27.394 -26.747 -32.824 1.00 60.35 N ATOM 0 H ASN A 29 25.730 -23.963 -30.856 1.00 22.43 H new ATOM 0 HA ASN A 29 27.878 -23.080 -32.345 1.00 64.24 H new ATOM 0 HB2 ASN A 29 25.638 -24.979 -32.638 1.00 52.41 H new ATOM 0 HB3 ASN A 29 26.210 -24.360 -34.174 1.00 52.41 H new ATOM 0 HD21 ASN A 29 28.147 -27.434 -32.774 1.00 60.35 H new ATOM 0 HD22 ASN A 29 26.427 -27.038 -32.679 1.00 60.35 H new ATOM 415 N ASN A 30 25.083 -22.150 -33.850 1.00 4.34 N ATOM 416 CA ASN A 30 24.502 -21.132 -34.719 1.00 61.22 C ATOM 417 C ASN A 30 22.984 -21.096 -34.577 1.00 14.41 C ATOM 418 O ASN A 30 22.261 -21.657 -35.399 1.00 44.44 O ATOM 419 CB ASN A 30 24.884 -21.397 -36.176 1.00 30.42 C ATOM 420 CG ASN A 30 24.759 -20.160 -37.042 1.00 63.25 C ATOM 421 OD1 ASN A 30 25.133 -19.060 -36.632 1.00 73.11 O ATOM 422 ND2 ASN A 30 24.227 -20.331 -38.247 1.00 42.14 N ATOM 0 H ASN A 30 24.464 -22.935 -33.648 1.00 4.34 H new ATOM 0 HA ASN A 30 24.899 -20.163 -34.417 1.00 61.22 H new ATOM 0 HB2 ASN A 30 25.909 -21.764 -36.218 1.00 30.42 H new ATOM 0 HB3 ASN A 30 24.246 -22.184 -36.578 1.00 30.42 H new ATOM 0 HD21 ASN A 30 24.115 -19.533 -38.873 1.00 42.14 H new ATOM 0 HD22 ASN A 30 23.931 -21.260 -38.546 1.00 42.14 H new ATOM 429 N GLY A 31 22.508 -20.433 -33.528 1.00 12.31 N ATOM 430 CA GLY A 31 21.078 -20.337 -33.297 1.00 62.45 C ATOM 431 C GLY A 31 20.737 -19.425 -32.135 1.00 33.54 C ATOM 432 O GLY A 31 20.924 -18.211 -32.215 1.00 23.43 O ATOM 0 H GLY A 31 23.087 -19.960 -32.834 1.00 12.31 H new ATOM 0 HA2 GLY A 31 20.592 -19.967 -34.200 1.00 62.45 H new ATOM 0 HA3 GLY A 31 20.677 -21.332 -33.104 1.00 62.45 H new ATOM 436 N ASP A 32 20.238 -20.010 -31.052 1.00 74.04 N ATOM 437 CA ASP A 32 19.870 -19.242 -29.870 1.00 20.14 C ATOM 438 C ASP A 32 20.031 -20.081 -28.606 1.00 23.22 C ATOM 439 O ASP A 32 20.524 -19.598 -27.584 1.00 73.14 O ATOM 440 CB ASP A 32 18.429 -18.743 -29.986 1.00 1.43 C ATOM 441 CG ASP A 32 17.856 -18.311 -28.650 1.00 74.11 C ATOM 442 OD1 ASP A 32 18.497 -17.483 -27.971 1.00 25.01 O ATOM 443 OD2 ASP A 32 16.767 -18.802 -28.285 1.00 11.03 O ATOM 0 H ASP A 32 20.079 -21.014 -30.969 1.00 74.04 H new ATOM 0 HA ASP A 32 20.538 -18.383 -29.803 1.00 20.14 H new ATOM 0 HB2 ASP A 32 18.393 -17.905 -30.682 1.00 1.43 H new ATOM 0 HB3 ASP A 32 17.807 -19.533 -30.406 1.00 1.43 H new ATOM 448 N CYS A 33 19.610 -21.339 -28.679 1.00 72.33 N ATOM 449 CA CYS A 33 19.705 -22.246 -27.542 1.00 35.34 C ATOM 450 C CYS A 33 19.762 -23.698 -28.007 1.00 45.22 C ATOM 451 O CYS A 33 19.204 -24.051 -29.045 1.00 64.52 O ATOM 452 CB CYS A 33 18.515 -22.046 -26.602 1.00 63.15 C ATOM 453 SG CYS A 33 16.911 -21.908 -27.455 1.00 3.35 S ATOM 0 H CYS A 33 19.199 -21.754 -29.515 1.00 72.33 H new ATOM 0 HA CYS A 33 20.626 -22.019 -27.005 1.00 35.34 H new ATOM 0 HB2 CYS A 33 18.473 -22.882 -25.904 1.00 63.15 H new ATOM 0 HB3 CYS A 33 18.679 -21.145 -26.011 1.00 63.15 H new ATOM 459 N GLY A 34 20.441 -24.538 -27.230 1.00 21.41 N ATOM 460 CA GLY A 34 20.559 -25.941 -27.578 1.00 41.12 C ATOM 461 C GLY A 34 21.947 -26.488 -27.318 1.00 14.15 C ATOM 462 O GLY A 34 22.763 -25.841 -26.661 1.00 31.31 O ATOM 0 H GLY A 34 20.911 -24.270 -26.365 1.00 21.41 H new ATOM 0 HA2 GLY A 34 19.832 -26.517 -27.005 1.00 41.12 H new ATOM 0 HA3 GLY A 34 20.311 -26.073 -28.631 1.00 41.12 H new ATOM 466 N GLN A 35 22.216 -27.686 -27.829 1.00 64.53 N ATOM 467 CA GLN A 35 23.515 -28.321 -27.645 1.00 52.21 C ATOM 468 C GLN A 35 24.554 -27.718 -28.586 1.00 3.23 C ATOM 469 O GLN A 35 24.435 -27.820 -29.805 1.00 65.04 O ATOM 470 CB GLN A 35 23.408 -29.827 -27.883 1.00 54.44 C ATOM 471 CG GLN A 35 24.258 -30.657 -26.934 1.00 64.30 C ATOM 472 CD GLN A 35 25.472 -31.260 -27.614 1.00 12.44 C ATOM 473 OE1 GLN A 35 26.419 -30.413 -27.995 1.00 51.41 O flip ATOM 474 NE2 GLN A 35 25.556 -32.476 -27.792 1.00 24.12 N flip ATOM 0 H GLN A 35 21.551 -28.236 -28.373 1.00 64.53 H new ATOM 0 HA GLN A 35 23.835 -28.144 -26.618 1.00 52.21 H new ATOM 0 HB2 GLN A 35 22.366 -30.129 -27.782 1.00 54.44 H new ATOM 0 HB3 GLN A 35 23.705 -30.046 -28.909 1.00 54.44 H new ATOM 0 HG2 GLN A 35 24.585 -30.031 -26.103 1.00 64.30 H new ATOM 0 HG3 GLN A 35 23.649 -31.456 -26.511 1.00 64.30 H new ATOM 0 HE21 GLN A 35 24.803 -33.090 -27.482 1.00 24.12 H new ATOM 0 HE22 GLN A 35 26.379 -32.869 -28.249 1.00 24.12 H new ATOM 483 N GLY A 36 25.573 -27.090 -28.007 1.00 33.44 N ATOM 484 CA GLY A 36 26.618 -26.478 -28.809 1.00 55.51 C ATOM 485 C GLY A 36 27.999 -26.686 -28.217 1.00 64.13 C ATOM 486 O GLY A 36 28.361 -27.801 -27.847 1.00 14.21 O ATOM 0 H GLY A 36 25.694 -26.994 -26.999 1.00 33.44 H new ATOM 0 HA2 GLY A 36 26.591 -26.895 -29.816 1.00 55.51 H new ATOM 0 HA3 GLY A 36 26.423 -25.410 -28.901 1.00 55.51 H new ATOM 490 N MET A 37 28.771 -25.608 -28.129 1.00 3.30 N ATOM 491 CA MET A 37 30.119 -25.678 -27.580 1.00 24.15 C ATOM 492 C MET A 37 30.319 -24.621 -26.497 1.00 13.32 C ATOM 493 O MET A 37 29.550 -23.663 -26.400 1.00 11.32 O ATOM 494 CB MET A 37 31.157 -25.490 -28.688 1.00 44.43 C ATOM 495 CG MET A 37 32.571 -25.848 -28.264 1.00 11.05 C ATOM 496 SD MET A 37 33.604 -26.361 -29.650 1.00 65.34 S ATOM 497 CE MET A 37 33.263 -25.053 -30.827 1.00 24.31 C ATOM 0 H MET A 37 28.486 -24.676 -28.431 1.00 3.30 H new ATOM 0 HA MET A 37 30.251 -26.663 -27.133 1.00 24.15 H new ATOM 0 HB2 MET A 37 30.877 -26.104 -29.544 1.00 44.43 H new ATOM 0 HB3 MET A 37 31.138 -24.452 -29.020 1.00 44.43 H new ATOM 0 HG2 MET A 37 33.028 -24.988 -27.774 1.00 11.05 H new ATOM 0 HG3 MET A 37 32.533 -26.651 -27.528 1.00 11.05 H new ATOM 0 HE1 MET A 37 34.011 -25.072 -31.619 1.00 24.31 H new ATOM 0 HE2 MET A 37 32.273 -25.201 -31.259 1.00 24.31 H new ATOM 0 HE3 MET A 37 33.297 -24.089 -30.319 1.00 24.31 H new ATOM 507 N ARG A 38 31.355 -24.801 -25.684 1.00 3.11 N ATOM 508 CA ARG A 38 31.655 -23.864 -24.608 1.00 51.31 C ATOM 509 C ARG A 38 33.162 -23.703 -24.432 1.00 35.44 C ATOM 510 O ARG A 38 33.890 -24.686 -24.300 1.00 10.25 O ATOM 511 CB ARG A 38 31.026 -24.342 -23.297 1.00 44.13 C ATOM 512 CG ARG A 38 31.720 -23.803 -22.057 1.00 72.02 C ATOM 513 CD ARG A 38 30.747 -23.644 -20.898 1.00 72.05 C ATOM 514 NE ARG A 38 30.238 -24.932 -20.434 1.00 43.42 N ATOM 515 CZ ARG A 38 29.706 -25.120 -19.230 1.00 63.13 C ATOM 516 NH1 ARG A 38 29.616 -24.108 -18.376 1.00 14.52 N ATOM 517 NH2 ARG A 38 29.263 -26.320 -18.879 1.00 14.34 N ATOM 0 H ARG A 38 32.001 -25.588 -25.750 1.00 3.11 H new ATOM 0 HA ARG A 38 31.232 -22.895 -24.875 1.00 51.31 H new ATOM 0 HB2 ARG A 38 29.978 -24.042 -23.276 1.00 44.13 H new ATOM 0 HB3 ARG A 38 31.046 -25.431 -23.270 1.00 44.13 H new ATOM 0 HG2 ARG A 38 32.525 -24.478 -21.767 1.00 72.02 H new ATOM 0 HG3 ARG A 38 32.177 -22.840 -22.284 1.00 72.02 H new ATOM 0 HD2 ARG A 38 31.244 -23.132 -20.074 1.00 72.05 H new ATOM 0 HD3 ARG A 38 29.913 -23.014 -21.208 1.00 72.05 H new ATOM 0 HE ARG A 38 30.294 -25.730 -21.067 1.00 43.42 H new ATOM 0 HH11 ARG A 38 29.955 -23.184 -18.643 1.00 14.52 H new ATOM 0 HH12 ARG A 38 29.208 -24.254 -17.453 1.00 14.52 H new ATOM 0 HH21 ARG A 38 29.330 -27.100 -19.533 1.00 14.34 H new ATOM 0 HH22 ARG A 38 28.855 -26.463 -17.955 1.00 14.34 H new ATOM 531 N GLU A 39 33.621 -22.455 -24.431 1.00 34.31 N ATOM 532 CA GLU A 39 35.042 -22.165 -24.274 1.00 11.23 C ATOM 533 C GLU A 39 35.357 -21.756 -22.837 1.00 51.24 C ATOM 534 O GLU A 39 34.876 -20.734 -22.351 1.00 65.34 O ATOM 535 CB GLU A 39 35.470 -21.055 -25.237 1.00 13.32 C ATOM 536 CG GLU A 39 36.136 -21.571 -26.501 1.00 70.44 C ATOM 537 CD GLU A 39 35.416 -21.131 -27.760 1.00 53.22 C ATOM 538 OE1 GLU A 39 34.372 -21.735 -28.088 1.00 72.33 O ATOM 539 OE2 GLU A 39 35.894 -20.183 -28.418 1.00 40.33 O ATOM 0 H GLU A 39 33.031 -21.630 -24.537 1.00 34.31 H new ATOM 0 HA GLU A 39 35.600 -23.072 -24.507 1.00 11.23 H new ATOM 0 HB2 GLU A 39 34.595 -20.466 -25.512 1.00 13.32 H new ATOM 0 HB3 GLU A 39 36.157 -20.384 -24.722 1.00 13.32 H new ATOM 0 HG2 GLU A 39 37.167 -21.218 -26.534 1.00 70.44 H new ATOM 0 HG3 GLU A 39 36.173 -22.660 -26.469 1.00 70.44 H new ATOM 546 N GLY A 40 36.168 -22.565 -22.161 1.00 74.53 N ATOM 547 CA GLY A 40 36.534 -22.272 -20.789 1.00 32.03 C ATOM 548 C GLY A 40 38.029 -22.096 -20.611 1.00 14.22 C ATOM 549 O GLY A 40 38.814 -22.451 -21.492 1.00 0.10 O ATOM 0 H GLY A 40 36.578 -23.419 -22.540 1.00 74.53 H new ATOM 0 HA2 GLY A 40 36.024 -21.364 -20.466 1.00 32.03 H new ATOM 0 HA3 GLY A 40 36.187 -23.079 -20.144 1.00 32.03 H new ATOM 553 N THR A 41 38.428 -21.545 -19.468 1.00 42.44 N ATOM 554 CA THR A 41 39.838 -21.319 -19.179 1.00 51.33 C ATOM 555 C THR A 41 40.253 -22.019 -17.890 1.00 54.31 C ATOM 556 O THR A 41 39.479 -22.096 -16.936 1.00 21.20 O ATOM 557 CB THR A 41 40.153 -19.816 -19.059 1.00 32.34 C ATOM 558 OG1 THR A 41 41.500 -19.634 -18.606 1.00 74.31 O ATOM 559 CG2 THR A 41 39.193 -19.138 -18.095 1.00 2.10 C ATOM 0 H THR A 41 37.793 -21.247 -18.727 1.00 42.44 H new ATOM 0 HA THR A 41 40.403 -21.735 -20.013 1.00 51.33 H new ATOM 0 HB THR A 41 40.036 -19.362 -20.043 1.00 32.34 H new ATOM 0 HG1 THR A 41 42.077 -20.312 -19.015 1.00 74.31 H new ATOM 0 HG21 THR A 41 39.435 -18.077 -18.026 1.00 2.10 H new ATOM 0 HG22 THR A 41 38.171 -19.255 -18.457 1.00 2.10 H new ATOM 0 HG23 THR A 41 39.283 -19.595 -17.110 1.00 2.10 H new ATOM 567 N CYS A 42 41.481 -22.528 -17.868 1.00 44.21 N ATOM 568 CA CYS A 42 42.000 -23.221 -16.696 1.00 2.53 C ATOM 569 C CYS A 42 43.463 -22.859 -16.453 1.00 63.30 C ATOM 570 O CYS A 42 44.342 -23.225 -17.231 1.00 55.44 O ATOM 571 CB CYS A 42 41.861 -24.735 -16.869 1.00 54.24 C ATOM 572 SG CYS A 42 42.480 -25.706 -15.457 1.00 3.23 S ATOM 0 H CYS A 42 42.135 -22.473 -18.649 1.00 44.21 H new ATOM 0 HA CYS A 42 41.417 -22.905 -15.831 1.00 2.53 H new ATOM 0 HB2 CYS A 42 40.810 -24.976 -17.029 1.00 54.24 H new ATOM 0 HB3 CYS A 42 42.398 -25.038 -17.768 1.00 54.24 H new ATOM 0 HG CYS A 42 42.317 -26.973 -15.697 1.00 3.23 H new ATOM 578 N ASN A 43 43.714 -22.136 -15.367 1.00 13.14 N ATOM 579 CA ASN A 43 45.070 -21.723 -15.020 1.00 53.12 C ATOM 580 C ASN A 43 45.595 -20.692 -16.015 1.00 42.01 C ATOM 581 O ASN A 43 45.667 -19.503 -15.709 1.00 64.02 O ATOM 582 CB ASN A 43 46.002 -22.937 -14.987 1.00 61.24 C ATOM 583 CG ASN A 43 46.531 -23.223 -13.594 1.00 65.30 C ATOM 584 OD1 ASN A 43 47.717 -23.044 -13.320 1.00 42.23 O ATOM 585 ND2 ASN A 43 45.648 -23.668 -12.708 1.00 64.21 N ATOM 0 H ASN A 43 42.997 -21.824 -14.712 1.00 13.14 H new ATOM 0 HA ASN A 43 45.043 -21.267 -14.030 1.00 53.12 H new ATOM 0 HB2 ASN A 43 45.467 -23.812 -15.356 1.00 61.24 H new ATOM 0 HB3 ASN A 43 46.840 -22.767 -15.663 1.00 61.24 H new ATOM 0 HD21 ASN A 43 45.943 -23.877 -11.754 1.00 64.21 H new ATOM 0 HD22 ASN A 43 44.674 -23.801 -12.981 1.00 64.21 H new ATOM 592 N GLU A 44 45.960 -21.158 -17.206 1.00 23.33 N ATOM 593 CA GLU A 44 46.479 -20.275 -18.244 1.00 11.31 C ATOM 594 C GLU A 44 46.265 -20.880 -19.628 1.00 30.34 C ATOM 595 O GLU A 44 46.976 -20.547 -20.577 1.00 41.52 O ATOM 596 CB GLU A 44 47.968 -20.003 -18.016 1.00 52.34 C ATOM 597 CG GLU A 44 48.412 -18.628 -18.487 1.00 75.32 C ATOM 598 CD GLU A 44 49.889 -18.581 -18.830 1.00 61.24 C ATOM 599 OE1 GLU A 44 50.306 -19.303 -19.760 1.00 33.01 O ATOM 600 OE2 GLU A 44 50.627 -17.820 -18.169 1.00 34.41 O ATOM 0 H GLU A 44 45.906 -22.140 -17.475 1.00 23.33 H new ATOM 0 HA GLU A 44 45.934 -19.332 -18.191 1.00 11.31 H new ATOM 0 HB2 GLU A 44 48.189 -20.103 -16.953 1.00 52.34 H new ATOM 0 HB3 GLU A 44 48.552 -20.763 -18.536 1.00 52.34 H new ATOM 0 HG2 GLU A 44 47.830 -18.342 -19.363 1.00 75.32 H new ATOM 0 HG3 GLU A 44 48.199 -17.895 -17.709 1.00 75.32 H new ATOM 607 N GLN A 45 45.285 -21.772 -19.734 1.00 61.34 N ATOM 608 CA GLN A 45 44.980 -22.424 -21.001 1.00 52.30 C ATOM 609 C GLN A 45 43.478 -22.425 -21.267 1.00 21.42 C ATOM 610 O GLN A 45 42.678 -22.170 -20.366 1.00 1.24 O ATOM 611 CB GLN A 45 45.510 -23.860 -21.000 1.00 40.11 C ATOM 612 CG GLN A 45 46.935 -23.982 -20.484 1.00 5.51 C ATOM 613 CD GLN A 45 47.416 -25.418 -20.433 1.00 40.01 C ATOM 614 OE1 GLN A 45 47.165 -26.202 -21.349 1.00 62.54 O ATOM 615 NE2 GLN A 45 48.112 -25.772 -19.359 1.00 12.40 N ATOM 0 H GLN A 45 44.689 -22.059 -18.958 1.00 61.34 H new ATOM 0 HA GLN A 45 45.470 -21.862 -21.796 1.00 52.30 H new ATOM 0 HB2 GLN A 45 44.856 -24.479 -20.386 1.00 40.11 H new ATOM 0 HB3 GLN A 45 45.465 -24.256 -22.015 1.00 40.11 H new ATOM 0 HG2 GLN A 45 47.600 -23.403 -21.124 1.00 5.51 H new ATOM 0 HG3 GLN A 45 46.995 -23.547 -19.486 1.00 5.51 H new ATOM 0 HE21 GLN A 45 48.297 -25.090 -18.624 1.00 12.40 H new ATOM 0 HE22 GLN A 45 48.462 -26.726 -19.270 1.00 12.40 H new ATOM 624 N THR A 46 43.101 -22.711 -22.509 1.00 63.40 N ATOM 625 CA THR A 46 41.696 -22.742 -22.893 1.00 72.32 C ATOM 626 C THR A 46 41.282 -24.137 -23.350 1.00 3.15 C ATOM 627 O THR A 46 42.112 -24.920 -23.813 1.00 71.45 O ATOM 628 CB THR A 46 41.400 -21.736 -24.020 1.00 62.21 C ATOM 629 OG1 THR A 46 42.603 -21.431 -24.734 1.00 62.31 O ATOM 630 CG2 THR A 46 40.797 -20.456 -23.460 1.00 14.11 C ATOM 0 H THR A 46 43.750 -22.925 -23.266 1.00 63.40 H new ATOM 0 HA THR A 46 41.120 -22.466 -22.010 1.00 72.32 H new ATOM 0 HB THR A 46 40.680 -22.190 -24.701 1.00 62.21 H new ATOM 0 HG1 THR A 46 42.405 -20.792 -25.450 1.00 62.31 H new ATOM 0 HG21 THR A 46 40.597 -19.761 -24.275 1.00 14.11 H new ATOM 0 HG22 THR A 46 39.865 -20.688 -22.944 1.00 14.11 H new ATOM 0 HG23 THR A 46 41.496 -20.001 -22.759 1.00 14.11 H new ATOM 638 N ARG A 47 39.995 -24.440 -23.216 1.00 32.11 N ATOM 639 CA ARG A 47 39.472 -25.740 -23.615 1.00 41.40 C ATOM 640 C ARG A 47 38.043 -25.615 -24.135 1.00 53.41 C ATOM 641 O ARG A 47 37.353 -24.635 -23.857 1.00 4.11 O ATOM 642 CB ARG A 47 39.513 -26.714 -22.435 1.00 3.24 C ATOM 643 CG ARG A 47 39.238 -28.157 -22.826 1.00 61.03 C ATOM 644 CD ARG A 47 40.206 -28.639 -23.894 1.00 52.43 C ATOM 645 NE ARG A 47 40.066 -30.069 -24.154 1.00 13.13 N ATOM 646 CZ ARG A 47 40.553 -30.672 -25.233 1.00 70.53 C ATOM 647 NH1 ARG A 47 41.208 -29.971 -26.148 1.00 1.40 N ATOM 648 NH2 ARG A 47 40.386 -31.978 -25.399 1.00 30.23 N ATOM 0 H ARG A 47 39.296 -23.803 -22.834 1.00 32.11 H new ATOM 0 HA ARG A 47 40.100 -26.125 -24.418 1.00 41.40 H new ATOM 0 HB2 ARG A 47 40.493 -26.655 -21.960 1.00 3.24 H new ATOM 0 HB3 ARG A 47 38.780 -26.402 -21.692 1.00 3.24 H new ATOM 0 HG2 ARG A 47 39.318 -28.795 -21.946 1.00 61.03 H new ATOM 0 HG3 ARG A 47 38.216 -28.247 -23.193 1.00 61.03 H new ATOM 0 HD2 ARG A 47 40.034 -28.084 -24.816 1.00 52.43 H new ATOM 0 HD3 ARG A 47 41.228 -28.426 -23.580 1.00 52.43 H new ATOM 0 HE ARG A 47 39.567 -30.636 -23.469 1.00 13.13 H new ATOM 0 HH11 ARG A 47 41.339 -28.967 -26.024 1.00 1.40 H new ATOM 0 HH12 ARG A 47 41.581 -30.436 -26.976 1.00 1.40 H new ATOM 0 HH21 ARG A 47 39.883 -32.521 -24.697 1.00 30.23 H new ATOM 0 HH22 ARG A 47 40.761 -32.439 -26.228 1.00 30.23 H new ATOM 662 N LYS A 48 37.604 -26.616 -24.892 1.00 62.41 N ATOM 663 CA LYS A 48 36.258 -26.620 -25.452 1.00 65.33 C ATOM 664 C LYS A 48 35.468 -27.829 -24.960 1.00 43.32 C ATOM 665 O LYS A 48 35.989 -28.942 -24.905 1.00 55.13 O ATOM 666 CB LYS A 48 36.318 -26.624 -26.981 1.00 33.25 C ATOM 667 CG LYS A 48 36.146 -25.248 -27.600 1.00 53.44 C ATOM 668 CD LYS A 48 36.731 -25.190 -29.001 1.00 54.23 C ATOM 669 CE LYS A 48 36.296 -23.932 -29.736 1.00 22.24 C ATOM 670 NZ LYS A 48 36.447 -24.069 -31.211 1.00 44.20 N ATOM 0 H LYS A 48 38.162 -27.435 -25.132 1.00 62.41 H new ATOM 0 HA LYS A 48 35.750 -25.715 -25.118 1.00 65.33 H new ATOM 0 HB2 LYS A 48 37.275 -27.039 -27.298 1.00 33.25 H new ATOM 0 HB3 LYS A 48 35.541 -27.286 -27.365 1.00 33.25 H new ATOM 0 HG2 LYS A 48 35.087 -24.994 -27.636 1.00 53.44 H new ATOM 0 HG3 LYS A 48 36.631 -24.502 -26.971 1.00 53.44 H new ATOM 0 HD2 LYS A 48 37.819 -25.221 -28.943 1.00 54.23 H new ATOM 0 HD3 LYS A 48 36.416 -26.069 -29.564 1.00 54.23 H new ATOM 0 HE2 LYS A 48 35.255 -23.713 -29.497 1.00 22.24 H new ATOM 0 HE3 LYS A 48 36.888 -23.085 -29.388 1.00 22.24 H new ATOM 0 HZ1 LYS A 48 35.835 -23.377 -31.688 1.00 44.20 H new ATOM 0 HZ2 LYS A 48 37.438 -23.896 -31.476 1.00 44.20 H new ATOM 0 HZ3 LYS A 48 36.174 -25.030 -31.500 1.00 44.20 H new ATOM 684 N VAL A 49 34.208 -27.601 -24.605 1.00 22.31 N ATOM 685 CA VAL A 49 33.344 -28.672 -24.120 1.00 31.15 C ATOM 686 C VAL A 49 31.899 -28.452 -24.553 1.00 23.51 C ATOM 687 O VAL A 49 31.422 -27.318 -24.610 1.00 71.12 O ATOM 688 CB VAL A 49 33.398 -28.784 -22.585 1.00 21.22 C ATOM 689 CG1 VAL A 49 34.837 -28.898 -22.107 1.00 23.30 C ATOM 690 CG2 VAL A 49 32.705 -27.594 -21.940 1.00 3.23 C ATOM 0 H VAL A 49 33.762 -26.684 -24.644 1.00 22.31 H new ATOM 0 HA VAL A 49 33.713 -29.599 -24.558 1.00 31.15 H new ATOM 0 HB VAL A 49 32.870 -29.689 -22.285 1.00 21.22 H new ATOM 0 HG11 VAL A 49 34.854 -28.976 -21.020 1.00 23.30 H new ATOM 0 HG12 VAL A 49 35.296 -29.786 -22.542 1.00 23.30 H new ATOM 0 HG13 VAL A 49 35.394 -28.014 -22.416 1.00 23.30 H new ATOM 0 HG21 VAL A 49 32.753 -27.689 -20.855 1.00 3.23 H new ATOM 0 HG22 VAL A 49 33.203 -26.674 -22.246 1.00 3.23 H new ATOM 0 HG23 VAL A 49 31.662 -27.565 -22.256 1.00 3.23 H new ATOM 700 N LYS A 50 31.206 -29.543 -24.858 1.00 15.42 N ATOM 701 CA LYS A 50 29.813 -29.473 -25.283 1.00 63.51 C ATOM 702 C LYS A 50 28.876 -29.461 -24.080 1.00 65.35 C ATOM 703 O LYS A 50 28.995 -30.291 -23.180 1.00 65.14 O ATOM 704 CB LYS A 50 29.477 -30.654 -26.196 1.00 43.54 C ATOM 705 CG LYS A 50 30.587 -31.006 -27.169 1.00 40.35 C ATOM 706 CD LYS A 50 30.853 -29.874 -28.147 1.00 4.21 C ATOM 707 CE LYS A 50 32.337 -29.554 -28.238 1.00 72.32 C ATOM 708 NZ LYS A 50 33.154 -30.774 -28.489 1.00 44.04 N ATOM 0 H LYS A 50 31.587 -30.488 -24.819 1.00 15.42 H new ATOM 0 HA LYS A 50 29.674 -28.544 -25.836 1.00 63.51 H new ATOM 0 HB2 LYS A 50 29.255 -31.526 -25.581 1.00 43.54 H new ATOM 0 HB3 LYS A 50 28.573 -30.422 -26.758 1.00 43.54 H new ATOM 0 HG2 LYS A 50 31.499 -31.231 -26.616 1.00 40.35 H new ATOM 0 HG3 LYS A 50 30.317 -31.907 -27.719 1.00 40.35 H new ATOM 0 HD2 LYS A 50 30.478 -30.148 -29.133 1.00 4.21 H new ATOM 0 HD3 LYS A 50 30.306 -28.985 -27.833 1.00 4.21 H new ATOM 0 HE2 LYS A 50 32.505 -28.834 -29.039 1.00 72.32 H new ATOM 0 HE3 LYS A 50 32.664 -29.082 -27.311 1.00 72.32 H new ATOM 0 HZ1 LYS A 50 34.005 -30.517 -29.028 1.00 44.04 H new ATOM 0 HZ2 LYS A 50 33.434 -31.197 -27.581 1.00 44.04 H new ATOM 0 HZ3 LYS A 50 32.594 -31.461 -29.033 1.00 44.04 H new ATOM 722 N CYS A 51 27.942 -28.515 -24.073 1.00 21.53 N ATOM 723 CA CYS A 51 26.983 -28.395 -22.981 1.00 64.42 C ATOM 724 C CYS A 51 25.574 -28.168 -23.519 1.00 31.41 C ATOM 725 O CYS A 51 25.381 -27.959 -24.717 1.00 71.30 O ATOM 726 CB CYS A 51 27.378 -27.246 -22.051 1.00 12.20 C ATOM 727 SG CYS A 51 27.793 -25.698 -22.916 1.00 32.25 S ATOM 0 H CYS A 51 27.829 -27.820 -24.811 1.00 21.53 H new ATOM 0 HA CYS A 51 26.992 -29.328 -22.417 1.00 64.42 H new ATOM 0 HB2 CYS A 51 26.558 -27.054 -21.359 1.00 12.20 H new ATOM 0 HB3 CYS A 51 28.234 -27.556 -21.452 1.00 12.20 H new ATOM 733 N ARG A 52 24.591 -28.209 -22.625 1.00 22.31 N ATOM 734 CA ARG A 52 23.201 -28.008 -23.008 1.00 44.35 C ATOM 735 C ARG A 52 22.710 -26.628 -22.579 1.00 13.44 C ATOM 736 O ARG A 52 22.702 -26.303 -21.392 1.00 1.14 O ATOM 737 CB ARG A 52 22.316 -29.090 -22.386 1.00 75.40 C ATOM 738 CG ARG A 52 20.851 -28.696 -22.285 1.00 55.41 C ATOM 739 CD ARG A 52 20.451 -28.403 -20.848 1.00 10.14 C ATOM 740 NE ARG A 52 19.034 -28.067 -20.732 1.00 10.23 N ATOM 741 CZ ARG A 52 18.054 -28.947 -20.901 1.00 51.11 C ATOM 742 NH1 ARG A 52 18.336 -30.211 -21.193 1.00 42.24 N ATOM 743 NH2 ARG A 52 16.789 -28.566 -20.780 1.00 21.43 N ATOM 0 H ARG A 52 24.733 -28.380 -21.630 1.00 22.31 H new ATOM 0 HA ARG A 52 23.139 -28.075 -24.094 1.00 44.35 H new ATOM 0 HB2 ARG A 52 22.398 -30.000 -22.980 1.00 75.40 H new ATOM 0 HB3 ARG A 52 22.690 -29.325 -21.389 1.00 75.40 H new ATOM 0 HG2 ARG A 52 20.666 -27.816 -22.902 1.00 55.41 H new ATOM 0 HG3 ARG A 52 20.229 -29.499 -22.680 1.00 55.41 H new ATOM 0 HD2 ARG A 52 20.670 -29.271 -20.227 1.00 10.14 H new ATOM 0 HD3 ARG A 52 21.052 -27.578 -20.465 1.00 10.14 H new ATOM 0 HE ARG A 52 18.784 -27.104 -20.509 1.00 10.23 H new ATOM 0 HH11 ARG A 52 19.307 -30.508 -21.288 1.00 42.24 H new ATOM 0 HH12 ARG A 52 17.582 -30.885 -21.322 1.00 42.24 H new ATOM 0 HH21 ARG A 52 16.568 -27.596 -20.557 1.00 21.43 H new ATOM 0 HH22 ARG A 52 16.038 -29.243 -20.910 1.00 21.43 H new ATOM 757 N VAL A 53 22.304 -25.820 -23.552 1.00 55.21 N ATOM 758 CA VAL A 53 21.813 -24.475 -23.275 1.00 53.12 C ATOM 759 C VAL A 53 20.314 -24.375 -23.527 1.00 41.23 C ATOM 760 O VAL A 53 19.861 -24.164 -24.653 1.00 45.23 O ATOM 761 CB VAL A 53 22.539 -23.425 -24.137 1.00 24.21 C ATOM 762 CG1 VAL A 53 22.256 -22.022 -23.619 1.00 74.05 C ATOM 763 CG2 VAL A 53 24.034 -23.699 -24.164 1.00 44.21 C ATOM 0 H VAL A 53 22.305 -26.073 -24.540 1.00 55.21 H new ATOM 0 HA VAL A 53 22.015 -24.274 -22.223 1.00 53.12 H new ATOM 0 HB VAL A 53 22.162 -23.494 -25.157 1.00 24.21 H new ATOM 0 HG11 VAL A 53 22.777 -21.293 -24.240 1.00 74.05 H new ATOM 0 HG12 VAL A 53 21.184 -21.830 -23.656 1.00 74.05 H new ATOM 0 HG13 VAL A 53 22.605 -21.937 -22.590 1.00 74.05 H new ATOM 0 HG21 VAL A 53 24.531 -22.947 -24.778 1.00 44.21 H new ATOM 0 HG22 VAL A 53 24.430 -23.658 -23.149 1.00 44.21 H new ATOM 0 HG23 VAL A 53 24.215 -24.688 -24.585 1.00 44.21 H new ATOM 773 N PRO A 54 19.521 -24.530 -22.456 1.00 22.41 N ATOM 774 CA PRO A 54 18.060 -24.460 -22.535 1.00 50.13 C ATOM 775 C PRO A 54 17.561 -23.047 -22.821 1.00 31.53 C ATOM 776 O PRO A 54 18.213 -22.064 -22.467 1.00 42.14 O ATOM 777 CB PRO A 54 17.606 -24.915 -21.145 1.00 61.34 C ATOM 778 CG PRO A 54 18.755 -24.599 -20.250 1.00 64.13 C ATOM 779 CD PRO A 54 19.992 -24.784 -21.084 1.00 31.02 C ATOM 0 HA PRO A 54 17.667 -25.071 -23.348 1.00 50.13 H new ATOM 0 HB2 PRO A 54 16.704 -24.390 -20.831 1.00 61.34 H new ATOM 0 HB3 PRO A 54 17.376 -25.980 -21.133 1.00 61.34 H new ATOM 0 HG2 PRO A 54 18.687 -23.578 -19.873 1.00 64.13 H new ATOM 0 HG3 PRO A 54 18.767 -25.259 -19.382 1.00 64.13 H new ATOM 0 HD2 PRO A 54 20.779 -24.088 -20.794 1.00 31.02 H new ATOM 0 HD3 PRO A 54 20.400 -25.789 -20.979 1.00 31.02 H new ATOM 787 N CYS A 55 16.402 -22.952 -23.463 1.00 41.23 N ATOM 788 CA CYS A 55 15.815 -21.661 -23.797 1.00 44.34 C ATOM 789 C CYS A 55 15.035 -21.094 -22.614 1.00 34.15 C ATOM 790 O CYS A 55 14.043 -21.674 -22.176 1.00 53.35 O ATOM 791 CB CYS A 55 14.894 -21.793 -25.012 1.00 34.14 C ATOM 792 SG CYS A 55 15.570 -22.832 -26.348 1.00 5.02 S ATOM 0 H CYS A 55 15.850 -23.756 -23.763 1.00 41.23 H new ATOM 0 HA CYS A 55 16.627 -20.974 -24.037 1.00 44.34 H new ATOM 0 HB2 CYS A 55 13.941 -22.211 -24.688 1.00 34.14 H new ATOM 0 HB3 CYS A 55 14.688 -20.799 -25.408 1.00 34.14 H new ATOM 798 N ASN A 56 15.494 -19.957 -22.100 1.00 62.11 N ATOM 799 CA ASN A 56 14.840 -19.312 -20.967 1.00 75.23 C ATOM 800 C ASN A 56 15.633 -18.094 -20.504 1.00 3.32 C ATOM 801 O ASN A 56 15.268 -16.955 -20.797 1.00 55.32 O ATOM 802 CB ASN A 56 14.681 -20.302 -19.812 1.00 71.30 C ATOM 803 CG ASN A 56 14.409 -19.609 -18.490 1.00 11.34 C ATOM 804 OD1 ASN A 56 13.560 -18.723 -18.406 1.00 43.43 O ATOM 805 ND2 ASN A 56 15.131 -20.013 -17.451 1.00 50.41 N ATOM 0 H ASN A 56 16.315 -19.464 -22.450 1.00 62.11 H new ATOM 0 HA ASN A 56 13.853 -18.980 -21.289 1.00 75.23 H new ATOM 0 HB2 ASN A 56 13.864 -20.988 -20.035 1.00 71.30 H new ATOM 0 HB3 ASN A 56 15.586 -20.903 -19.725 1.00 71.30 H new ATOM 0 HD21 ASN A 56 14.992 -19.584 -16.536 1.00 50.41 H new ATOM 0 HD22 ASN A 56 15.824 -20.752 -17.568 1.00 50.41 H new ATOM 944 N CYS A 65 14.740 -4.870 -9.311 1.00 53.23 N ATOM 945 CA CYS A 65 15.237 -3.589 -9.800 1.00 42.15 C ATOM 946 C CYS A 65 16.168 -3.786 -10.992 1.00 64.42 C ATOM 947 O CYS A 65 16.998 -4.696 -11.003 1.00 73.30 O ATOM 948 CB CYS A 65 15.969 -2.843 -8.683 1.00 3.45 C ATOM 949 SG CYS A 65 15.872 -1.028 -8.813 1.00 55.32 S ATOM 0 HA CYS A 65 14.382 -2.995 -10.124 1.00 42.15 H new ATOM 0 HB2 CYS A 65 15.554 -3.150 -7.723 1.00 3.45 H new ATOM 0 HB3 CYS A 65 17.017 -3.141 -8.688 1.00 3.45 H new ATOM 955 N LYS A 66 16.026 -2.926 -11.994 1.00 32.22 N ATOM 956 CA LYS A 66 16.855 -3.002 -13.192 1.00 22.04 C ATOM 957 C LYS A 66 18.155 -2.226 -13.003 1.00 54.13 C ATOM 958 O LYS A 66 18.172 -1.164 -12.380 1.00 42.51 O ATOM 959 CB LYS A 66 16.093 -2.455 -14.401 1.00 32.42 C ATOM 960 CG LYS A 66 15.246 -3.498 -15.109 1.00 71.10 C ATOM 961 CD LYS A 66 16.075 -4.324 -16.079 1.00 20.44 C ATOM 962 CE LYS A 66 15.195 -5.103 -17.043 1.00 11.22 C ATOM 963 NZ LYS A 66 14.998 -4.376 -18.327 1.00 4.00 N ATOM 0 H LYS A 66 15.344 -2.167 -12.001 1.00 32.22 H new ATOM 0 HA LYS A 66 17.099 -4.049 -13.369 1.00 22.04 H new ATOM 0 HB2 LYS A 66 15.450 -1.637 -14.075 1.00 32.42 H new ATOM 0 HB3 LYS A 66 16.807 -2.036 -15.110 1.00 32.42 H new ATOM 0 HG2 LYS A 66 14.785 -4.155 -14.372 1.00 71.10 H new ATOM 0 HG3 LYS A 66 14.436 -3.006 -15.648 1.00 71.10 H new ATOM 0 HD2 LYS A 66 16.740 -3.668 -16.641 1.00 20.44 H new ATOM 0 HD3 LYS A 66 16.707 -5.016 -15.522 1.00 20.44 H new ATOM 0 HE2 LYS A 66 15.646 -6.075 -17.242 1.00 11.22 H new ATOM 0 HE3 LYS A 66 14.226 -5.290 -16.580 1.00 11.22 H new ATOM 0 HZ1 LYS A 66 14.421 -4.956 -18.969 1.00 4.00 H new ATOM 0 HZ2 LYS A 66 14.513 -3.474 -18.144 1.00 4.00 H new ATOM 0 HZ3 LYS A 66 15.922 -4.190 -18.766 1.00 4.00 H new ATOM 977 N TYR A 67 19.242 -2.763 -13.547 1.00 33.34 N ATOM 978 CA TYR A 67 20.548 -2.121 -13.438 1.00 44.54 C ATOM 979 C TYR A 67 21.403 -2.413 -14.666 1.00 52.33 C ATOM 980 O TYR A 67 21.274 -3.466 -15.291 1.00 75.33 O ATOM 981 CB TYR A 67 21.268 -2.595 -12.175 1.00 33.22 C ATOM 982 CG TYR A 67 20.876 -1.833 -10.931 1.00 1.11 C ATOM 983 CD1 TYR A 67 19.772 -2.215 -10.176 1.00 33.24 C ATOM 984 CD2 TYR A 67 21.607 -0.730 -10.508 1.00 52.22 C ATOM 985 CE1 TYR A 67 19.411 -1.520 -9.039 1.00 43.44 C ATOM 986 CE2 TYR A 67 21.254 -0.030 -9.370 1.00 41.35 C ATOM 987 CZ TYR A 67 20.153 -0.429 -8.640 1.00 25.34 C ATOM 988 OH TYR A 67 19.797 0.265 -7.506 1.00 54.13 O ATOM 0 H TYR A 67 19.245 -3.640 -14.067 1.00 33.34 H new ATOM 0 HA TYR A 67 20.392 -1.044 -13.376 1.00 44.54 H new ATOM 0 HB2 TYR A 67 21.058 -3.654 -12.023 1.00 33.22 H new ATOM 0 HB3 TYR A 67 22.344 -2.502 -12.324 1.00 33.22 H new ATOM 0 HD1 TYR A 67 19.188 -3.069 -10.484 1.00 33.24 H new ATOM 0 HD2 TYR A 67 22.467 -0.414 -11.079 1.00 52.22 H new ATOM 0 HE1 TYR A 67 18.551 -1.830 -8.464 1.00 43.44 H new ATOM 0 HE2 TYR A 67 21.836 0.823 -9.054 1.00 41.35 H new ATOM 0 HH TYR A 67 20.191 1.162 -7.534 1.00 54.13 H new ATOM 998 N LYS A 68 22.277 -1.473 -15.008 1.00 62.11 N ATOM 999 CA LYS A 68 23.157 -1.628 -16.160 1.00 42.23 C ATOM 1000 C LYS A 68 24.446 -2.344 -15.768 1.00 75.12 C ATOM 1001 O LYS A 68 25.380 -1.726 -15.255 1.00 63.13 O ATOM 1002 CB LYS A 68 23.484 -0.262 -16.767 1.00 63.30 C ATOM 1003 CG LYS A 68 23.349 -0.218 -18.279 1.00 52.41 C ATOM 1004 CD LYS A 68 22.302 0.792 -18.716 1.00 13.31 C ATOM 1005 CE LYS A 68 22.679 2.204 -18.296 1.00 23.14 C ATOM 1006 NZ LYS A 68 22.604 3.161 -19.434 1.00 12.12 N ATOM 0 H LYS A 68 22.395 -0.595 -14.503 1.00 62.11 H new ATOM 0 HA LYS A 68 22.637 -2.233 -16.903 1.00 42.23 H new ATOM 0 HB2 LYS A 68 22.824 0.487 -16.330 1.00 63.30 H new ATOM 0 HB3 LYS A 68 24.503 0.013 -16.494 1.00 63.30 H new ATOM 0 HG2 LYS A 68 24.311 0.038 -18.724 1.00 52.41 H new ATOM 0 HG3 LYS A 68 23.079 -1.207 -18.650 1.00 52.41 H new ATOM 0 HD2 LYS A 68 22.187 0.752 -19.799 1.00 13.31 H new ATOM 0 HD3 LYS A 68 21.337 0.528 -18.283 1.00 13.31 H new ATOM 0 HE2 LYS A 68 22.014 2.535 -17.499 1.00 23.14 H new ATOM 0 HE3 LYS A 68 23.690 2.204 -17.888 1.00 23.14 H new ATOM 0 HZ1 LYS A 68 22.868 4.112 -19.106 1.00 12.12 H new ATOM 0 HZ2 LYS A 68 23.258 2.860 -20.185 1.00 12.12 H new ATOM 0 HZ3 LYS A 68 21.634 3.181 -19.807 1.00 12.12 H new ATOM 1020 N PHE A 69 24.491 -3.649 -16.014 1.00 72.55 N ATOM 1021 CA PHE A 69 25.666 -4.448 -15.688 1.00 54.14 C ATOM 1022 C PHE A 69 26.649 -4.473 -16.855 1.00 12.43 C ATOM 1023 O PHE A 69 26.266 -4.715 -17.999 1.00 43.22 O ATOM 1024 CB PHE A 69 25.253 -5.875 -15.324 1.00 14.42 C ATOM 1025 CG PHE A 69 24.452 -5.963 -14.056 1.00 55.40 C ATOM 1026 CD1 PHE A 69 24.820 -5.235 -12.936 1.00 73.13 C ATOM 1027 CD2 PHE A 69 23.330 -6.774 -13.984 1.00 14.34 C ATOM 1028 CE1 PHE A 69 24.085 -5.313 -11.769 1.00 41.02 C ATOM 1029 CE2 PHE A 69 22.591 -6.855 -12.819 1.00 75.43 C ATOM 1030 CZ PHE A 69 22.969 -6.125 -11.711 1.00 12.24 C ATOM 0 H PHE A 69 23.727 -4.176 -16.438 1.00 72.55 H new ATOM 0 HA PHE A 69 26.159 -3.990 -14.831 1.00 54.14 H new ATOM 0 HB2 PHE A 69 24.669 -6.296 -16.143 1.00 14.42 H new ATOM 0 HB3 PHE A 69 26.148 -6.489 -15.222 1.00 14.42 H new ATOM 0 HD1 PHE A 69 25.692 -4.599 -12.976 1.00 73.13 H new ATOM 0 HD2 PHE A 69 23.030 -7.349 -14.848 1.00 14.34 H new ATOM 0 HE1 PHE A 69 24.382 -4.740 -10.903 1.00 41.02 H new ATOM 0 HE2 PHE A 69 21.718 -7.489 -12.776 1.00 75.43 H new ATOM 0 HZ PHE A 69 22.393 -6.188 -10.800 1.00 12.24 H new ATOM 1040 N GLY A 70 27.920 -4.221 -16.557 1.00 74.14 N ATOM 1041 CA GLY A 70 28.938 -4.218 -17.591 1.00 40.43 C ATOM 1042 C GLY A 70 30.019 -5.251 -17.341 1.00 54.03 C ATOM 1043 O GLY A 70 30.962 -5.003 -16.592 1.00 35.11 O ATOM 0 H GLY A 70 28.263 -4.019 -15.618 1.00 74.14 H new ATOM 0 HA2 GLY A 70 28.471 -4.411 -18.557 1.00 40.43 H new ATOM 0 HA3 GLY A 70 29.391 -3.228 -17.648 1.00 40.43 H new ATOM 1047 N ASN A 71 29.881 -6.414 -17.971 1.00 40.14 N ATOM 1048 CA ASN A 71 30.854 -7.490 -17.813 1.00 45.31 C ATOM 1049 C ASN A 71 31.023 -7.857 -16.342 1.00 63.22 C ATOM 1050 O ASN A 71 30.340 -7.313 -15.473 1.00 3.23 O ATOM 1051 CB ASN A 71 32.202 -7.077 -18.406 1.00 1.11 C ATOM 1052 CG ASN A 71 32.859 -8.201 -19.184 1.00 54.34 C ATOM 1053 OD1 ASN A 71 32.292 -8.719 -20.147 1.00 24.41 O ATOM 1054 ND2 ASN A 71 34.061 -8.584 -18.769 1.00 65.11 N ATOM 0 H ASN A 71 29.105 -6.635 -18.595 1.00 40.14 H new ATOM 0 HA ASN A 71 30.483 -8.365 -18.347 1.00 45.31 H new ATOM 0 HB2 ASN A 71 32.060 -6.219 -19.063 1.00 1.11 H new ATOM 0 HB3 ASN A 71 32.867 -6.757 -17.603 1.00 1.11 H new ATOM 0 HD21 ASN A 71 34.552 -9.336 -19.253 1.00 65.11 H new ATOM 0 HD22 ASN A 71 34.493 -8.127 -17.966 1.00 65.11 H new ATOM 1061 N TRP A 72 31.937 -8.781 -16.069 1.00 44.24 N ATOM 1062 CA TRP A 72 32.197 -9.220 -14.704 1.00 42.42 C ATOM 1063 C TRP A 72 33.653 -8.979 -14.322 1.00 51.14 C ATOM 1064 O TRP A 72 34.554 -9.133 -15.145 1.00 71.14 O ATOM 1065 CB TRP A 72 31.854 -10.704 -14.549 1.00 25.54 C ATOM 1066 CG TRP A 72 30.456 -11.037 -14.971 1.00 53.14 C ATOM 1067 CD1 TRP A 72 30.066 -11.560 -16.171 1.00 64.53 C ATOM 1068 CD2 TRP A 72 29.263 -10.869 -14.198 1.00 33.20 C ATOM 1069 NE1 TRP A 72 28.701 -11.726 -16.190 1.00 50.13 N ATOM 1070 CE2 TRP A 72 28.186 -11.311 -14.991 1.00 22.15 C ATOM 1071 CE3 TRP A 72 29.001 -10.390 -12.912 1.00 4.44 C ATOM 1072 CZ2 TRP A 72 26.870 -11.286 -14.538 1.00 40.43 C ATOM 1073 CZ3 TRP A 72 27.693 -10.366 -12.465 1.00 10.44 C ATOM 1074 CH2 TRP A 72 26.641 -10.813 -13.276 1.00 12.22 C ATOM 0 H TRP A 72 32.511 -9.241 -16.776 1.00 44.24 H new ATOM 0 HA TRP A 72 31.565 -8.637 -14.035 1.00 42.42 H new ATOM 0 HB2 TRP A 72 32.555 -11.295 -15.139 1.00 25.54 H new ATOM 0 HB3 TRP A 72 31.990 -10.994 -13.507 1.00 25.54 H new ATOM 0 HD1 TRP A 72 30.732 -11.807 -16.985 1.00 64.53 H new ATOM 0 HE1 TRP A 72 28.160 -12.098 -16.971 1.00 50.13 H new ATOM 0 HE3 TRP A 72 29.805 -10.045 -12.279 1.00 4.44 H new ATOM 0 HZ2 TRP A 72 26.058 -11.629 -15.162 1.00 40.43 H new ATOM 0 HZ3 TRP A 72 27.478 -9.996 -11.473 1.00 10.44 H new ATOM 0 HH2 TRP A 72 25.630 -10.783 -12.897 1.00 12.22 H new ATOM 1085 N GLY A 73 33.877 -8.603 -13.067 1.00 32.22 N ATOM 1086 CA GLY A 73 35.227 -8.348 -12.598 1.00 71.44 C ATOM 1087 C GLY A 73 36.061 -9.610 -12.519 1.00 10.43 C ATOM 1088 O GLY A 73 35.750 -10.609 -13.165 1.00 50.31 O ATOM 0 H GLY A 73 33.148 -8.470 -12.366 1.00 32.22 H new ATOM 0 HA2 GLY A 73 35.712 -7.637 -13.266 1.00 71.44 H new ATOM 0 HA3 GLY A 73 35.184 -7.882 -11.613 1.00 71.44 H new ATOM 1092 N GLU A 74 37.127 -9.564 -11.724 1.00 42.21 N ATOM 1093 CA GLU A 74 38.010 -10.714 -11.565 1.00 42.30 C ATOM 1094 C GLU A 74 37.410 -11.730 -10.597 1.00 2.21 C ATOM 1095 O GLU A 74 37.008 -11.383 -9.485 1.00 71.13 O ATOM 1096 CB GLU A 74 39.383 -10.263 -11.064 1.00 15.32 C ATOM 1097 CG GLU A 74 39.361 -9.696 -9.654 1.00 72.31 C ATOM 1098 CD GLU A 74 39.850 -10.688 -8.618 1.00 10.11 C ATOM 1099 OE1 GLU A 74 39.624 -11.902 -8.805 1.00 13.33 O ATOM 1100 OE2 GLU A 74 40.459 -10.251 -7.619 1.00 44.32 O ATOM 0 H GLU A 74 37.399 -8.744 -11.181 1.00 42.21 H new ATOM 0 HA GLU A 74 38.125 -11.191 -12.538 1.00 42.30 H new ATOM 0 HB2 GLU A 74 40.068 -11.110 -11.095 1.00 15.32 H new ATOM 0 HB3 GLU A 74 39.778 -9.508 -11.744 1.00 15.32 H new ATOM 0 HG2 GLU A 74 39.983 -8.801 -9.617 1.00 72.31 H new ATOM 0 HG3 GLU A 74 38.345 -9.389 -9.406 1.00 72.31 H new ATOM 1107 N CYS A 75 37.354 -12.987 -11.025 1.00 50.13 N ATOM 1108 CA CYS A 75 36.805 -14.053 -10.199 1.00 53.52 C ATOM 1109 C CYS A 75 37.855 -14.588 -9.230 1.00 64.45 C ATOM 1110 O CYS A 75 38.970 -14.923 -9.630 1.00 1.23 O ATOM 1111 CB CYS A 75 36.281 -15.191 -11.079 1.00 11.22 C ATOM 1112 SG CYS A 75 34.829 -14.744 -12.084 1.00 70.20 S ATOM 0 H CYS A 75 37.683 -13.291 -11.941 1.00 50.13 H new ATOM 0 HA CYS A 75 35.979 -13.640 -9.620 1.00 53.52 H new ATOM 0 HB2 CYS A 75 37.081 -15.521 -11.742 1.00 11.22 H new ATOM 0 HB3 CYS A 75 36.023 -16.038 -10.444 1.00 11.22 H new ATOM 1118 N ASP A 76 37.491 -14.666 -7.954 1.00 64.44 N ATOM 1119 CA ASP A 76 38.402 -15.160 -6.929 1.00 43.44 C ATOM 1120 C ASP A 76 38.099 -16.617 -6.591 1.00 34.31 C ATOM 1121 O ASP A 76 37.116 -16.916 -5.915 1.00 11.34 O ATOM 1122 CB ASP A 76 38.300 -14.299 -5.669 1.00 12.32 C ATOM 1123 CG ASP A 76 39.568 -13.514 -5.400 1.00 21.24 C ATOM 1124 OD1 ASP A 76 40.456 -14.042 -4.698 1.00 25.14 O ATOM 1125 OD2 ASP A 76 39.673 -12.370 -5.892 1.00 55.31 O ATOM 0 H ASP A 76 36.572 -14.393 -7.606 1.00 64.44 H new ATOM 0 HA ASP A 76 39.418 -15.100 -7.319 1.00 43.44 H new ATOM 0 HB2 ASP A 76 37.463 -13.608 -5.771 1.00 12.32 H new ATOM 0 HB3 ASP A 76 38.083 -14.938 -4.813 1.00 12.32 H new ATOM 1130 N ALA A 77 38.952 -17.519 -7.067 1.00 21.01 N ATOM 1131 CA ALA A 77 38.777 -18.944 -6.815 1.00 43.42 C ATOM 1132 C ALA A 77 38.919 -19.260 -5.331 1.00 20.35 C ATOM 1133 O ALA A 77 38.507 -20.324 -4.870 1.00 42.54 O ATOM 1134 CB ALA A 77 39.777 -19.751 -7.628 1.00 42.13 C ATOM 0 H ALA A 77 39.771 -17.288 -7.629 1.00 21.01 H new ATOM 0 HA ALA A 77 37.769 -19.221 -7.123 1.00 43.42 H new ATOM 0 HB1 ALA A 77 39.634 -20.813 -7.430 1.00 42.13 H new ATOM 0 HB2 ALA A 77 39.624 -19.556 -8.690 1.00 42.13 H new ATOM 0 HB3 ALA A 77 40.790 -19.463 -7.348 1.00 42.13 H new ATOM 1140 N ALA A 78 39.510 -18.331 -4.586 1.00 62.15 N ATOM 1141 CA ALA A 78 39.706 -18.509 -3.154 1.00 14.24 C ATOM 1142 C ALA A 78 38.374 -18.502 -2.411 1.00 53.12 C ATOM 1143 O ALA A 78 38.237 -19.123 -1.356 1.00 23.41 O ATOM 1144 CB ALA A 78 40.624 -17.426 -2.607 1.00 41.30 C ATOM 0 H ALA A 78 39.862 -17.446 -4.952 1.00 62.15 H new ATOM 0 HA ALA A 78 40.175 -19.480 -2.996 1.00 14.24 H new ATOM 0 HB1 ALA A 78 40.761 -17.572 -1.536 1.00 41.30 H new ATOM 0 HB2 ALA A 78 41.591 -17.482 -3.107 1.00 41.30 H new ATOM 0 HB3 ALA A 78 40.179 -16.447 -2.786 1.00 41.30 H new ATOM 1150 N THR A 79 37.396 -17.797 -2.968 1.00 72.11 N ATOM 1151 CA THR A 79 36.075 -17.708 -2.357 1.00 64.33 C ATOM 1152 C THR A 79 35.006 -18.291 -3.273 1.00 71.53 C ATOM 1153 O THR A 79 33.879 -18.544 -2.846 1.00 74.32 O ATOM 1154 CB THR A 79 35.709 -16.249 -2.023 1.00 73.41 C ATOM 1155 OG1 THR A 79 34.396 -16.193 -1.453 1.00 23.13 O ATOM 1156 CG2 THR A 79 35.765 -15.377 -3.268 1.00 44.33 C ATOM 0 H THR A 79 37.493 -17.279 -3.841 1.00 72.11 H new ATOM 0 HA THR A 79 36.113 -18.286 -1.434 1.00 64.33 H new ATOM 0 HB THR A 79 36.435 -15.871 -1.303 1.00 73.41 H new ATOM 0 HG1 THR A 79 33.741 -16.011 -2.158 1.00 23.13 H new ATOM 0 HG21 THR A 79 35.503 -14.352 -3.006 1.00 44.33 H new ATOM 0 HG22 THR A 79 36.773 -15.399 -3.683 1.00 44.33 H new ATOM 0 HG23 THR A 79 35.060 -15.754 -4.008 1.00 44.33 H new ATOM 1164 N SER A 80 35.365 -18.502 -4.536 1.00 43.24 N ATOM 1165 CA SER A 80 34.433 -19.052 -5.514 1.00 75.00 C ATOM 1166 C SER A 80 33.257 -18.107 -5.737 1.00 1.13 C ATOM 1167 O SER A 80 32.123 -18.542 -5.930 1.00 43.33 O ATOM 1168 CB SER A 80 33.923 -20.418 -5.050 1.00 54.22 C ATOM 1169 OG SER A 80 34.854 -21.043 -4.183 1.00 54.15 O ATOM 0 H SER A 80 36.294 -18.300 -4.906 1.00 43.24 H new ATOM 0 HA SER A 80 34.964 -19.171 -6.458 1.00 75.00 H new ATOM 0 HB2 SER A 80 32.968 -20.298 -4.538 1.00 54.22 H new ATOM 0 HB3 SER A 80 33.743 -21.056 -5.916 1.00 54.22 H new ATOM 0 HG SER A 80 34.504 -21.913 -3.899 1.00 54.15 H new ATOM 1175 N THR A 81 33.538 -16.807 -5.711 1.00 0.05 N ATOM 1176 CA THR A 81 32.506 -15.798 -5.910 1.00 41.51 C ATOM 1177 C THR A 81 33.081 -14.540 -6.550 1.00 5.32 C ATOM 1178 O THR A 81 34.184 -14.107 -6.211 1.00 52.40 O ATOM 1179 CB THR A 81 31.828 -15.419 -4.579 1.00 53.23 C ATOM 1180 OG1 THR A 81 32.782 -15.464 -3.512 1.00 34.20 O ATOM 1181 CG2 THR A 81 30.673 -16.361 -4.273 1.00 34.34 C ATOM 0 H THR A 81 34.472 -16.429 -5.554 1.00 0.05 H new ATOM 0 HA THR A 81 31.763 -16.234 -6.578 1.00 41.51 H new ATOM 0 HB THR A 81 31.436 -14.406 -4.672 1.00 53.23 H new ATOM 0 HG1 THR A 81 32.384 -15.085 -2.701 1.00 34.20 H new ATOM 0 HG21 THR A 81 30.210 -16.074 -3.329 1.00 34.34 H new ATOM 0 HG22 THR A 81 29.934 -16.302 -5.072 1.00 34.34 H new ATOM 0 HG23 THR A 81 31.046 -17.382 -4.198 1.00 34.34 H new ATOM 1189 N LYS A 82 32.329 -13.955 -7.476 1.00 12.14 N ATOM 1190 CA LYS A 82 32.764 -12.745 -8.163 1.00 2.20 C ATOM 1191 C LYS A 82 31.948 -11.540 -7.708 1.00 45.15 C ATOM 1192 O LYS A 82 30.825 -11.685 -7.225 1.00 32.14 O ATOM 1193 CB LYS A 82 32.635 -12.919 -9.678 1.00 35.05 C ATOM 1194 CG LYS A 82 31.225 -13.253 -10.134 1.00 2.34 C ATOM 1195 CD LYS A 82 30.921 -12.648 -11.494 1.00 52.31 C ATOM 1196 CE LYS A 82 31.245 -13.619 -12.621 1.00 1.12 C ATOM 1197 NZ LYS A 82 30.101 -14.525 -12.916 1.00 13.44 N ATOM 0 H LYS A 82 31.415 -14.300 -7.768 1.00 12.14 H new ATOM 0 HA LYS A 82 33.810 -12.570 -7.912 1.00 2.20 H new ATOM 0 HB2 LYS A 82 32.959 -12.002 -10.170 1.00 35.05 H new ATOM 0 HB3 LYS A 82 33.310 -13.711 -10.003 1.00 35.05 H new ATOM 0 HG2 LYS A 82 31.104 -14.335 -10.181 1.00 2.34 H new ATOM 0 HG3 LYS A 82 30.508 -12.883 -9.402 1.00 2.34 H new ATOM 0 HD2 LYS A 82 29.868 -12.370 -11.543 1.00 52.31 H new ATOM 0 HD3 LYS A 82 31.498 -11.733 -11.624 1.00 52.31 H new ATOM 0 HE2 LYS A 82 31.506 -13.059 -13.519 1.00 1.12 H new ATOM 0 HE3 LYS A 82 32.118 -14.212 -12.350 1.00 1.12 H new ATOM 0 HZ1 LYS A 82 30.393 -15.236 -13.616 1.00 13.44 H new ATOM 0 HZ2 LYS A 82 29.802 -15.002 -12.042 1.00 13.44 H new ATOM 0 HZ3 LYS A 82 29.308 -13.970 -13.296 1.00 13.44 H new ATOM 1211 N SER A 83 32.518 -10.350 -7.869 1.00 41.22 N ATOM 1212 CA SER A 83 31.845 -9.119 -7.473 1.00 10.55 C ATOM 1213 C SER A 83 31.747 -8.151 -8.647 1.00 60.41 C ATOM 1214 O SER A 83 32.605 -8.142 -9.531 1.00 62.42 O ATOM 1215 CB SER A 83 32.587 -8.457 -6.311 1.00 60.14 C ATOM 1216 OG SER A 83 32.044 -8.854 -5.065 1.00 54.31 O ATOM 0 H SER A 83 33.445 -10.213 -8.271 1.00 41.22 H new ATOM 0 HA SER A 83 30.836 -9.374 -7.151 1.00 10.55 H new ATOM 0 HB2 SER A 83 33.643 -8.723 -6.352 1.00 60.14 H new ATOM 0 HB3 SER A 83 32.527 -7.373 -6.408 1.00 60.14 H new ATOM 0 HG SER A 83 32.538 -8.418 -4.339 1.00 54.31 H new ATOM 1222 N ARG A 84 30.697 -7.336 -8.651 1.00 32.45 N ATOM 1223 CA ARG A 84 30.487 -6.364 -9.717 1.00 51.01 C ATOM 1224 C ARG A 84 29.659 -5.183 -9.220 1.00 2.23 C ATOM 1225 O ARG A 84 29.157 -5.191 -8.094 1.00 33.44 O ATOM 1226 CB ARG A 84 29.788 -7.024 -10.907 1.00 55.53 C ATOM 1227 CG ARG A 84 30.748 -7.539 -11.968 1.00 22.23 C ATOM 1228 CD ARG A 84 31.485 -6.399 -12.651 1.00 32.13 C ATOM 1229 NE ARG A 84 32.789 -6.149 -12.043 1.00 64.00 N ATOM 1230 CZ ARG A 84 33.645 -5.235 -12.488 1.00 42.31 C ATOM 1231 NH1 ARG A 84 33.336 -4.490 -13.540 1.00 62.11 N ATOM 1232 NH2 ARG A 84 34.812 -5.065 -11.880 1.00 34.24 N ATOM 0 H ARG A 84 29.978 -7.330 -7.927 1.00 32.45 H new ATOM 0 HA ARG A 84 31.462 -5.995 -10.035 1.00 51.01 H new ATOM 0 HB2 ARG A 84 29.180 -7.853 -10.546 1.00 55.53 H new ATOM 0 HB3 ARG A 84 29.108 -6.305 -11.363 1.00 55.53 H new ATOM 0 HG2 ARG A 84 31.468 -8.217 -11.510 1.00 22.23 H new ATOM 0 HG3 ARG A 84 30.196 -8.114 -12.711 1.00 22.23 H new ATOM 0 HD2 ARG A 84 31.616 -6.633 -13.707 1.00 32.13 H new ATOM 0 HD3 ARG A 84 30.881 -5.493 -12.598 1.00 32.13 H new ATOM 0 HE ARG A 84 33.058 -6.707 -11.232 1.00 64.00 H new ATOM 0 HH11 ARG A 84 32.440 -4.618 -14.010 1.00 62.11 H new ATOM 0 HH12 ARG A 84 33.995 -3.789 -13.880 1.00 62.11 H new ATOM 0 HH21 ARG A 84 35.053 -5.636 -11.070 1.00 34.24 H new ATOM 0 HH22 ARG A 84 35.468 -4.363 -12.223 1.00 34.24 H new ATOM 1246 N THR A 85 29.521 -4.166 -10.064 1.00 24.53 N ATOM 1247 CA THR A 85 28.756 -2.977 -9.712 1.00 30.24 C ATOM 1248 C THR A 85 27.800 -2.584 -10.832 1.00 33.35 C ATOM 1249 O THR A 85 28.218 -2.365 -11.968 1.00 52.32 O ATOM 1250 CB THR A 85 29.683 -1.786 -9.400 1.00 34.20 C ATOM 1251 OG1 THR A 85 30.960 -1.983 -10.018 1.00 55.10 O ATOM 1252 CG2 THR A 85 29.860 -1.615 -7.899 1.00 70.02 C ATOM 0 H THR A 85 29.930 -4.142 -10.998 1.00 24.53 H new ATOM 0 HA THR A 85 28.181 -3.224 -8.820 1.00 30.24 H new ATOM 0 HB THR A 85 29.223 -0.882 -9.800 1.00 34.20 H new ATOM 0 HG1 THR A 85 31.542 -1.221 -9.816 1.00 55.10 H new ATOM 0 HG21 THR A 85 30.518 -0.768 -7.704 1.00 70.02 H new ATOM 0 HG22 THR A 85 28.890 -1.434 -7.436 1.00 70.02 H new ATOM 0 HG23 THR A 85 30.299 -2.520 -7.479 1.00 70.02 H new ATOM 1260 N GLY A 86 26.516 -2.496 -10.504 1.00 43.02 N ATOM 1261 CA GLY A 86 25.520 -2.127 -11.494 1.00 11.14 C ATOM 1262 C GLY A 86 25.004 -0.717 -11.301 1.00 43.45 C ATOM 1263 O GLY A 86 24.677 -0.315 -10.182 1.00 61.55 O ATOM 0 H GLY A 86 26.146 -2.674 -9.570 1.00 43.02 H new ATOM 0 HA2 GLY A 86 25.952 -2.219 -12.491 1.00 11.14 H new ATOM 0 HA3 GLY A 86 24.685 -2.826 -11.443 1.00 11.14 H new ATOM 1267 N THR A 87 24.928 0.041 -12.391 1.00 14.43 N ATOM 1268 CA THR A 87 24.450 1.415 -12.336 1.00 40.45 C ATOM 1269 C THR A 87 22.953 1.489 -12.613 1.00 15.22 C ATOM 1270 O THR A 87 22.460 0.903 -13.580 1.00 22.23 O ATOM 1271 CB THR A 87 25.192 2.310 -13.348 1.00 14.31 C ATOM 1272 OG1 THR A 87 26.599 2.286 -13.083 1.00 10.43 O ATOM 1273 CG2 THR A 87 24.682 3.741 -13.281 1.00 4.12 C ATOM 0 H THR A 87 25.192 -0.276 -13.324 1.00 14.43 H new ATOM 0 HA THR A 87 24.649 1.777 -11.327 1.00 40.45 H new ATOM 0 HB THR A 87 25.005 1.922 -14.349 1.00 14.31 H new ATOM 0 HG1 THR A 87 27.064 2.856 -13.731 1.00 10.43 H new ATOM 0 HG21 THR A 87 25.221 4.353 -14.004 1.00 4.12 H new ATOM 0 HG22 THR A 87 23.617 3.759 -13.512 1.00 4.12 H new ATOM 0 HG23 THR A 87 24.842 4.138 -12.279 1.00 4.12 H new ATOM 1281 N LEU A 88 22.233 2.210 -11.762 1.00 3.33 N ATOM 1282 CA LEU A 88 20.790 2.360 -11.915 1.00 40.53 C ATOM 1283 C LEU A 88 20.457 3.200 -13.144 1.00 31.13 C ATOM 1284 O LEU A 88 21.121 4.197 -13.423 1.00 42.13 O ATOM 1285 CB LEU A 88 20.188 3.004 -10.664 1.00 54.11 C ATOM 1286 CG LEU A 88 18.663 3.120 -10.637 1.00 44.12 C ATOM 1287 CD1 LEU A 88 18.022 1.743 -10.713 1.00 12.04 C ATOM 1288 CD2 LEU A 88 18.207 3.855 -9.385 1.00 32.14 C ATOM 0 H LEU A 88 22.625 2.701 -10.958 1.00 3.33 H new ATOM 0 HA LEU A 88 20.359 1.368 -12.048 1.00 40.53 H new ATOM 0 HB2 LEU A 88 20.504 2.427 -9.795 1.00 54.11 H new ATOM 0 HB3 LEU A 88 20.610 4.003 -10.555 1.00 54.11 H new ATOM 0 HG LEU A 88 18.345 3.694 -11.507 1.00 44.12 H new ATOM 0 HD11 LEU A 88 16.937 1.845 -10.693 1.00 12.04 H new ATOM 0 HD12 LEU A 88 18.323 1.252 -11.639 1.00 12.04 H new ATOM 0 HD13 LEU A 88 18.346 1.143 -9.862 1.00 12.04 H new ATOM 0 HD21 LEU A 88 17.119 3.929 -9.382 1.00 32.14 H new ATOM 0 HD22 LEU A 88 18.536 3.308 -8.502 1.00 32.14 H new ATOM 0 HD23 LEU A 88 18.638 4.856 -9.373 1.00 32.14 H new ATOM 1300 N GLN A 89 19.424 2.790 -13.873 1.00 11.44 N ATOM 1301 CA GLN A 89 19.003 3.505 -15.071 1.00 34.13 C ATOM 1302 C GLN A 89 17.603 4.084 -14.896 1.00 72.03 C ATOM 1303 O GLN A 89 17.357 5.250 -15.207 1.00 55.12 O ATOM 1304 CB GLN A 89 19.036 2.574 -16.284 1.00 62.34 C ATOM 1305 CG GLN A 89 18.564 1.162 -15.980 1.00 35.41 C ATOM 1306 CD GLN A 89 18.603 0.259 -17.198 1.00 31.33 C ATOM 1307 OE1 GLN A 89 19.481 -0.596 -17.323 1.00 12.54 O ATOM 1308 NE2 GLN A 89 17.651 0.445 -18.104 1.00 13.11 N ATOM 0 H GLN A 89 18.863 1.966 -13.655 1.00 11.44 H new ATOM 0 HA GLN A 89 19.698 4.328 -15.235 1.00 34.13 H new ATOM 0 HB2 GLN A 89 18.412 2.995 -17.072 1.00 62.34 H new ATOM 0 HB3 GLN A 89 20.054 2.532 -16.672 1.00 62.34 H new ATOM 0 HG2 GLN A 89 19.189 0.735 -15.196 1.00 35.41 H new ATOM 0 HG3 GLN A 89 17.546 1.199 -15.592 1.00 35.41 H new ATOM 0 HE21 GLN A 89 16.943 1.165 -17.960 1.00 13.11 H new ATOM 0 HE22 GLN A 89 17.627 -0.132 -18.945 1.00 13.11 H new ATOM 1317 N LYS A 90 16.687 3.262 -14.395 1.00 21.21 N ATOM 1318 CA LYS A 90 15.311 3.691 -14.178 1.00 41.21 C ATOM 1319 C LYS A 90 14.728 3.035 -12.929 1.00 42.22 C ATOM 1320 O LYS A 90 15.218 2.001 -12.474 1.00 23.44 O ATOM 1321 CB LYS A 90 14.450 3.350 -15.396 1.00 52.23 C ATOM 1322 CG LYS A 90 14.790 2.011 -16.026 1.00 2.45 C ATOM 1323 CD LYS A 90 14.489 0.858 -15.081 1.00 20.21 C ATOM 1324 CE LYS A 90 13.884 -0.325 -15.821 1.00 32.21 C ATOM 1325 NZ LYS A 90 14.689 -0.703 -17.015 1.00 70.15 N ATOM 0 H LYS A 90 16.873 2.294 -14.132 1.00 21.21 H new ATOM 0 HA LYS A 90 15.312 4.771 -14.033 1.00 41.21 H new ATOM 0 HB2 LYS A 90 13.401 3.346 -15.099 1.00 52.23 H new ATOM 0 HB3 LYS A 90 14.567 4.134 -16.144 1.00 52.23 H new ATOM 0 HG2 LYS A 90 14.221 1.886 -16.947 1.00 2.45 H new ATOM 0 HG3 LYS A 90 15.845 1.993 -16.299 1.00 2.45 H new ATOM 0 HD2 LYS A 90 15.407 0.546 -14.582 1.00 20.21 H new ATOM 0 HD3 LYS A 90 13.802 1.193 -14.304 1.00 20.21 H new ATOM 0 HE2 LYS A 90 13.813 -1.178 -15.146 1.00 32.21 H new ATOM 0 HE3 LYS A 90 12.868 -0.079 -16.131 1.00 32.21 H new ATOM 0 HZ1 LYS A 90 14.450 -1.674 -17.302 1.00 70.15 H new ATOM 0 HZ2 LYS A 90 14.479 -0.050 -17.796 1.00 70.15 H new ATOM 0 HZ3 LYS A 90 15.701 -0.650 -16.782 1.00 70.15 H new ATOM 1339 N ALA A 91 13.679 3.641 -12.383 1.00 62.22 N ATOM 1340 CA ALA A 91 13.027 3.113 -11.191 1.00 75.21 C ATOM 1341 C ALA A 91 11.724 2.407 -11.545 1.00 41.32 C ATOM 1342 O ALA A 91 10.929 2.909 -12.343 1.00 22.22 O ATOM 1343 CB ALA A 91 12.769 4.232 -10.192 1.00 74.42 C ATOM 0 H ALA A 91 13.263 4.498 -12.747 1.00 62.22 H new ATOM 0 HA ALA A 91 13.694 2.381 -10.736 1.00 75.21 H new ATOM 0 HB1 ALA A 91 12.282 3.824 -9.306 1.00 74.42 H new ATOM 0 HB2 ALA A 91 13.716 4.690 -9.906 1.00 74.42 H new ATOM 0 HB3 ALA A 91 12.124 4.984 -10.647 1.00 74.42 H new ATOM 1349 N LEU A 92 11.507 1.239 -10.950 1.00 40.20 N ATOM 1350 CA LEU A 92 10.299 0.463 -11.203 1.00 14.30 C ATOM 1351 C LEU A 92 9.240 0.741 -10.141 1.00 64.20 C ATOM 1352 O LEU A 92 8.485 -0.150 -9.752 1.00 33.15 O ATOM 1353 CB LEU A 92 10.627 -1.031 -11.233 1.00 52.23 C ATOM 1354 CG LEU A 92 11.965 -1.413 -11.866 1.00 73.44 C ATOM 1355 CD1 LEU A 92 12.271 -2.882 -11.623 1.00 13.23 C ATOM 1356 CD2 LEU A 92 11.956 -1.107 -13.356 1.00 31.51 C ATOM 0 H LEU A 92 12.153 0.809 -10.288 1.00 40.20 H new ATOM 0 HA LEU A 92 9.901 0.762 -12.173 1.00 14.30 H new ATOM 0 HB2 LEU A 92 10.612 -1.406 -10.210 1.00 52.23 H new ATOM 0 HB3 LEU A 92 9.832 -1.546 -11.773 1.00 52.23 H new ATOM 0 HG LEU A 92 12.750 -0.818 -11.398 1.00 73.44 H new ATOM 0 HD11 LEU A 92 13.227 -3.135 -12.081 1.00 13.23 H new ATOM 0 HD12 LEU A 92 12.321 -3.071 -10.551 1.00 13.23 H new ATOM 0 HD13 LEU A 92 11.484 -3.495 -12.063 1.00 13.23 H new ATOM 0 HD21 LEU A 92 12.916 -1.385 -13.790 1.00 31.51 H new ATOM 0 HD22 LEU A 92 11.161 -1.675 -13.839 1.00 31.51 H new ATOM 0 HD23 LEU A 92 11.784 -0.041 -13.508 1.00 31.51 H new ATOM 1368 N PHE A 93 9.188 1.985 -9.676 1.00 51.10 N ATOM 1369 CA PHE A 93 8.221 2.383 -8.660 1.00 40.33 C ATOM 1370 C PHE A 93 8.279 1.444 -7.459 1.00 24.11 C ATOM 1371 O PHE A 93 9.186 0.623 -7.342 1.00 40.01 O ATOM 1372 CB PHE A 93 6.807 2.391 -9.247 1.00 65.13 C ATOM 1373 CG PHE A 93 6.692 3.180 -10.521 1.00 14.33 C ATOM 1374 CD1 PHE A 93 7.026 4.524 -10.552 1.00 2.23 C ATOM 1375 CD2 PHE A 93 6.251 2.576 -11.688 1.00 12.12 C ATOM 1376 CE1 PHE A 93 6.920 5.251 -11.723 1.00 52.44 C ATOM 1377 CE2 PHE A 93 6.144 3.297 -12.861 1.00 33.42 C ATOM 1378 CZ PHE A 93 6.480 4.637 -12.879 1.00 11.32 C ATOM 0 H PHE A 93 9.805 2.735 -9.987 1.00 51.10 H new ATOM 0 HA PHE A 93 8.474 3.389 -8.326 1.00 40.33 H new ATOM 0 HB2 PHE A 93 6.494 1.364 -9.435 1.00 65.13 H new ATOM 0 HB3 PHE A 93 6.118 2.804 -8.510 1.00 65.13 H new ATOM 0 HD1 PHE A 93 7.373 5.009 -9.652 1.00 2.23 H new ATOM 0 HD2 PHE A 93 5.988 1.529 -11.680 1.00 12.12 H new ATOM 0 HE1 PHE A 93 7.181 6.299 -11.734 1.00 52.44 H new ATOM 0 HE2 PHE A 93 5.798 2.814 -13.763 1.00 33.42 H new ATOM 0 HZ PHE A 93 6.399 5.203 -13.795 1.00 11.32 H new ATOM 1388 N ASN A 94 7.302 1.575 -6.567 1.00 1.21 N ATOM 1389 CA ASN A 94 7.241 0.739 -5.373 1.00 1.54 C ATOM 1390 C ASN A 94 8.320 1.142 -4.372 1.00 15.14 C ATOM 1391 O ASN A 94 8.025 1.681 -3.306 1.00 72.31 O ATOM 1392 CB ASN A 94 7.401 -0.735 -5.746 1.00 73.13 C ATOM 1393 CG ASN A 94 6.700 -1.080 -7.047 1.00 10.34 C ATOM 1394 OD1 ASN A 94 5.570 -0.654 -7.289 1.00 34.51 O ATOM 1395 ND2 ASN A 94 7.369 -1.856 -7.891 1.00 74.42 N ATOM 0 H ASN A 94 6.543 2.251 -6.648 1.00 1.21 H new ATOM 0 HA ASN A 94 6.266 0.884 -4.909 1.00 1.54 H new ATOM 0 HB2 ASN A 94 8.461 -0.972 -5.833 1.00 73.13 H new ATOM 0 HB3 ASN A 94 7.000 -1.356 -4.945 1.00 73.13 H new ATOM 0 HD21 ASN A 94 6.949 -2.122 -8.781 1.00 74.42 H new ATOM 0 HD22 ASN A 94 8.303 -2.186 -7.649 1.00 74.42 H new ATOM 1402 N VAL A 95 9.575 0.874 -4.724 1.00 45.24 N ATOM 1403 CA VAL A 95 10.700 1.208 -3.859 1.00 21.32 C ATOM 1404 C VAL A 95 11.832 1.849 -4.654 1.00 23.22 C ATOM 1405 O VAL A 95 12.191 1.377 -5.732 1.00 10.51 O ATOM 1406 CB VAL A 95 11.238 -0.037 -3.131 1.00 4.34 C ATOM 1407 CG1 VAL A 95 12.322 0.352 -2.138 1.00 31.30 C ATOM 1408 CG2 VAL A 95 10.106 -0.776 -2.433 1.00 4.21 C ATOM 0 H VAL A 95 9.837 0.427 -5.602 1.00 45.24 H new ATOM 0 HA VAL A 95 10.331 1.919 -3.120 1.00 21.32 H new ATOM 0 HB VAL A 95 11.678 -0.707 -3.870 1.00 4.34 H new ATOM 0 HG11 VAL A 95 12.690 -0.541 -1.633 1.00 31.30 H new ATOM 0 HG12 VAL A 95 13.144 0.835 -2.667 1.00 31.30 H new ATOM 0 HG13 VAL A 95 11.910 1.042 -1.401 1.00 31.30 H new ATOM 0 HG21 VAL A 95 10.504 -1.653 -1.923 1.00 4.21 H new ATOM 0 HG22 VAL A 95 9.635 -0.116 -1.705 1.00 4.21 H new ATOM 0 HG23 VAL A 95 9.367 -1.089 -3.170 1.00 4.21 H new ATOM 1418 N GLU A 96 12.393 2.926 -4.113 1.00 31.25 N ATOM 1419 CA GLU A 96 13.486 3.630 -4.772 1.00 22.10 C ATOM 1420 C GLU A 96 14.770 2.808 -4.725 1.00 24.24 C ATOM 1421 O GLU A 96 15.041 2.113 -3.745 1.00 41.31 O ATOM 1422 CB GLU A 96 13.715 4.993 -4.112 1.00 55.31 C ATOM 1423 CG GLU A 96 13.985 4.908 -2.620 1.00 24.42 C ATOM 1424 CD GLU A 96 15.315 5.525 -2.232 1.00 34.32 C ATOM 1425 OE1 GLU A 96 15.362 6.756 -2.029 1.00 31.13 O ATOM 1426 OE2 GLU A 96 16.309 4.775 -2.134 1.00 1.34 O ATOM 0 H GLU A 96 12.108 3.330 -3.220 1.00 31.25 H new ATOM 0 HA GLU A 96 13.210 3.781 -5.816 1.00 22.10 H new ATOM 0 HB2 GLU A 96 14.557 5.486 -4.598 1.00 55.31 H new ATOM 0 HB3 GLU A 96 12.839 5.620 -4.279 1.00 55.31 H new ATOM 0 HG2 GLU A 96 13.183 5.412 -2.080 1.00 24.42 H new ATOM 0 HG3 GLU A 96 13.969 3.863 -2.311 1.00 24.42 H new ATOM 1433 N CYS A 97 15.559 2.892 -5.791 1.00 10.12 N ATOM 1434 CA CYS A 97 16.814 2.156 -5.874 1.00 30.41 C ATOM 1435 C CYS A 97 18.007 3.097 -5.731 1.00 64.24 C ATOM 1436 O CYS A 97 17.969 4.237 -6.194 1.00 35.30 O ATOM 1437 CB CYS A 97 16.901 1.403 -7.203 1.00 13.33 C ATOM 1438 SG CYS A 97 16.603 -0.389 -7.063 1.00 33.22 S ATOM 0 H CYS A 97 15.351 3.463 -6.610 1.00 10.12 H new ATOM 0 HA CYS A 97 16.840 1.438 -5.055 1.00 30.41 H new ATOM 0 HB2 CYS A 97 16.176 1.828 -7.897 1.00 13.33 H new ATOM 0 HB3 CYS A 97 17.889 1.564 -7.635 1.00 13.33 H new ATOM 1444 N GLN A 98 19.064 2.612 -5.088 1.00 1.33 N ATOM 1445 CA GLN A 98 20.267 3.410 -4.885 1.00 13.32 C ATOM 1446 C GLN A 98 20.947 3.718 -6.214 1.00 52.42 C ATOM 1447 O GLN A 98 20.804 2.971 -7.183 1.00 41.21 O ATOM 1448 CB GLN A 98 21.239 2.677 -3.958 1.00 20.53 C ATOM 1449 CG GLN A 98 21.371 3.317 -2.586 1.00 13.13 C ATOM 1450 CD GLN A 98 22.293 2.541 -1.667 1.00 12.24 C ATOM 1451 OE1 GLN A 98 22.348 1.311 -1.717 1.00 4.42 O ATOM 1452 NE2 GLN A 98 23.024 3.256 -0.819 1.00 75.11 N ATOM 0 H GLN A 98 19.112 1.670 -4.699 1.00 1.33 H new ATOM 0 HA GLN A 98 19.974 4.352 -4.422 1.00 13.32 H new ATOM 0 HB2 GLN A 98 20.906 1.646 -3.838 1.00 20.53 H new ATOM 0 HB3 GLN A 98 22.221 2.642 -4.429 1.00 20.53 H new ATOM 0 HG2 GLN A 98 21.747 4.334 -2.698 1.00 13.13 H new ATOM 0 HG3 GLN A 98 20.385 3.391 -2.127 1.00 13.13 H new ATOM 0 HE21 GLN A 98 22.947 4.273 -0.811 1.00 75.11 H new ATOM 0 HE22 GLN A 98 23.662 2.788 -0.176 1.00 75.11 H new ATOM 1461 N GLN A 99 21.688 4.821 -6.253 1.00 42.13 N ATOM 1462 CA GLN A 99 22.389 5.228 -7.465 1.00 42.24 C ATOM 1463 C GLN A 99 23.232 4.083 -8.017 1.00 4.50 C ATOM 1464 O GLN A 99 23.241 3.828 -9.222 1.00 3.32 O ATOM 1465 CB GLN A 99 23.276 6.441 -7.183 1.00 12.24 C ATOM 1466 CG GLN A 99 23.995 6.969 -8.415 1.00 41.53 C ATOM 1467 CD GLN A 99 23.161 7.971 -9.190 1.00 51.44 C ATOM 1468 OE1 GLN A 99 21.940 7.834 -9.290 1.00 42.22 O ATOM 1469 NE2 GLN A 99 23.814 8.983 -9.744 1.00 34.31 N ATOM 0 H GLN A 99 21.818 5.448 -5.459 1.00 42.13 H new ATOM 0 HA GLN A 99 21.643 5.498 -8.213 1.00 42.24 H new ATOM 0 HB2 GLN A 99 22.664 7.238 -6.760 1.00 12.24 H new ATOM 0 HB3 GLN A 99 24.015 6.173 -6.428 1.00 12.24 H new ATOM 0 HG2 GLN A 99 24.931 7.438 -8.112 1.00 41.53 H new ATOM 0 HG3 GLN A 99 24.253 6.134 -9.067 1.00 41.53 H new ATOM 0 HE21 GLN A 99 24.826 9.058 -9.636 1.00 34.31 H new ATOM 0 HE22 GLN A 99 23.305 9.687 -10.278 1.00 34.31 H new ATOM 1478 N THR A 100 23.939 3.393 -7.127 1.00 0.20 N ATOM 1479 CA THR A 100 24.786 2.276 -7.524 1.00 34.31 C ATOM 1480 C THR A 100 24.714 1.142 -6.508 1.00 74.41 C ATOM 1481 O THR A 100 24.524 1.377 -5.314 1.00 34.33 O ATOM 1482 CB THR A 100 26.254 2.713 -7.685 1.00 11.23 C ATOM 1483 OG1 THR A 100 26.318 4.104 -8.021 1.00 45.35 O ATOM 1484 CG2 THR A 100 26.948 1.894 -8.764 1.00 44.41 C ATOM 0 H THR A 100 23.941 3.589 -6.126 1.00 0.20 H new ATOM 0 HA THR A 100 24.412 1.923 -8.485 1.00 34.31 H new ATOM 0 HB THR A 100 26.765 2.544 -6.737 1.00 11.23 H new ATOM 0 HG1 THR A 100 27.255 4.374 -8.120 1.00 45.35 H new ATOM 0 HG21 THR A 100 27.983 2.221 -8.859 1.00 44.41 H new ATOM 0 HG22 THR A 100 26.924 0.839 -8.492 1.00 44.41 H new ATOM 0 HG23 THR A 100 26.434 2.035 -9.715 1.00 44.41 H new ATOM 1492 N VAL A 101 24.868 -0.087 -6.987 1.00 41.22 N ATOM 1493 CA VAL A 101 24.822 -1.258 -6.120 1.00 41.11 C ATOM 1494 C VAL A 101 25.734 -2.364 -6.639 1.00 23.42 C ATOM 1495 O VAL A 101 25.907 -2.524 -7.848 1.00 23.02 O ATOM 1496 CB VAL A 101 23.388 -1.808 -5.994 1.00 14.14 C ATOM 1497 CG1 VAL A 101 22.433 -0.713 -5.545 1.00 22.55 C ATOM 1498 CG2 VAL A 101 22.934 -2.416 -7.312 1.00 64.32 C ATOM 0 H VAL A 101 25.026 -0.298 -7.972 1.00 41.22 H new ATOM 0 HA VAL A 101 25.168 -0.937 -5.138 1.00 41.11 H new ATOM 0 HB VAL A 101 23.383 -2.593 -5.237 1.00 14.14 H new ATOM 0 HG11 VAL A 101 21.425 -1.121 -5.462 1.00 22.55 H new ATOM 0 HG12 VAL A 101 22.750 -0.329 -4.576 1.00 22.55 H new ATOM 0 HG13 VAL A 101 22.438 0.096 -6.275 1.00 22.55 H new ATOM 0 HG21 VAL A 101 21.919 -2.800 -7.205 1.00 64.32 H new ATOM 0 HG22 VAL A 101 22.954 -1.653 -8.090 1.00 64.32 H new ATOM 0 HG23 VAL A 101 23.603 -3.232 -7.586 1.00 64.32 H new ATOM 1508 N SER A 102 26.316 -3.125 -5.718 1.00 71.01 N ATOM 1509 CA SER A 102 27.214 -4.214 -6.084 1.00 14.45 C ATOM 1510 C SER A 102 26.448 -5.527 -6.223 1.00 62.21 C ATOM 1511 O SER A 102 25.352 -5.680 -5.683 1.00 2.45 O ATOM 1512 CB SER A 102 28.320 -4.365 -5.035 1.00 52.15 C ATOM 1513 OG SER A 102 27.783 -4.351 -3.724 1.00 23.33 O ATOM 0 H SER A 102 26.182 -3.008 -4.714 1.00 71.01 H new ATOM 0 HA SER A 102 27.665 -3.973 -7.047 1.00 14.45 H new ATOM 0 HB2 SER A 102 28.858 -5.298 -5.201 1.00 52.15 H new ATOM 0 HB3 SER A 102 29.042 -3.556 -5.144 1.00 52.15 H new ATOM 0 HG SER A 102 28.508 -4.451 -3.072 1.00 23.33 H new ATOM 1519 N VAL A 103 27.033 -6.471 -6.953 1.00 25.05 N ATOM 1520 CA VAL A 103 26.407 -7.771 -7.164 1.00 12.52 C ATOM 1521 C VAL A 103 27.398 -8.904 -6.920 1.00 32.03 C ATOM 1522 O VAL A 103 28.606 -8.679 -6.829 1.00 52.10 O ATOM 1523 CB VAL A 103 25.841 -7.896 -8.591 1.00 15.42 C ATOM 1524 CG1 VAL A 103 25.249 -6.572 -9.048 1.00 75.23 C ATOM 1525 CG2 VAL A 103 26.921 -8.369 -9.551 1.00 71.55 C ATOM 0 H VAL A 103 27.939 -6.360 -7.408 1.00 25.05 H new ATOM 0 HA VAL A 103 25.588 -7.848 -6.449 1.00 12.52 H new ATOM 0 HB VAL A 103 25.043 -8.639 -8.585 1.00 15.42 H new ATOM 0 HG11 VAL A 103 24.854 -6.679 -10.058 1.00 75.23 H new ATOM 0 HG12 VAL A 103 24.444 -6.281 -8.373 1.00 75.23 H new ATOM 0 HG13 VAL A 103 26.024 -5.805 -9.041 1.00 75.23 H new ATOM 0 HG21 VAL A 103 26.505 -8.452 -10.555 1.00 71.55 H new ATOM 0 HG22 VAL A 103 27.742 -7.652 -9.557 1.00 71.55 H new ATOM 0 HG23 VAL A 103 27.292 -9.343 -9.230 1.00 71.55 H new ATOM 1535 N THR A 104 26.881 -10.124 -6.817 1.00 40.24 N ATOM 1536 CA THR A 104 27.719 -11.293 -6.583 1.00 1.44 C ATOM 1537 C THR A 104 27.264 -12.474 -7.433 1.00 1.42 C ATOM 1538 O THR A 104 26.081 -12.609 -7.746 1.00 62.50 O ATOM 1539 CB THR A 104 27.706 -11.707 -5.099 1.00 75.33 C ATOM 1540 OG1 THR A 104 27.565 -10.548 -4.269 1.00 51.53 O ATOM 1541 CG2 THR A 104 28.983 -12.447 -4.733 1.00 10.34 C ATOM 0 H THR A 104 25.884 -10.328 -6.892 1.00 40.24 H new ATOM 0 HA THR A 104 28.735 -11.015 -6.865 1.00 1.44 H new ATOM 0 HB THR A 104 26.859 -12.374 -4.937 1.00 75.33 H new ATOM 0 HG1 THR A 104 27.556 -10.819 -3.327 1.00 51.53 H new ATOM 0 HG21 THR A 104 28.951 -12.729 -3.681 1.00 10.34 H new ATOM 0 HG22 THR A 104 29.073 -13.343 -5.347 1.00 10.34 H new ATOM 0 HG23 THR A 104 29.842 -11.799 -4.909 1.00 10.34 H new ATOM 1549 N LYS A 105 28.210 -13.330 -7.802 1.00 34.51 N ATOM 1550 CA LYS A 105 27.907 -14.502 -8.614 1.00 14.02 C ATOM 1551 C LYS A 105 28.864 -15.648 -8.296 1.00 2.21 C ATOM 1552 O LYS A 105 30.037 -15.440 -7.982 1.00 62.04 O ATOM 1553 CB LYS A 105 27.991 -14.154 -10.102 1.00 3.11 C ATOM 1554 CG LYS A 105 26.634 -13.974 -10.762 1.00 3.23 C ATOM 1555 CD LYS A 105 26.740 -14.018 -12.276 1.00 70.14 C ATOM 1556 CE LYS A 105 27.018 -15.427 -12.775 1.00 42.44 C ATOM 1557 NZ LYS A 105 25.938 -16.376 -12.385 1.00 54.35 N ATOM 0 H LYS A 105 29.194 -13.234 -7.551 1.00 34.51 H new ATOM 0 HA LYS A 105 26.892 -14.822 -8.378 1.00 14.02 H new ATOM 0 HB2 LYS A 105 28.568 -13.237 -10.220 1.00 3.11 H new ATOM 0 HB3 LYS A 105 28.536 -14.942 -10.621 1.00 3.11 H new ATOM 0 HG2 LYS A 105 25.956 -14.756 -10.421 1.00 3.23 H new ATOM 0 HG3 LYS A 105 26.202 -13.022 -10.454 1.00 3.23 H new ATOM 0 HD2 LYS A 105 25.813 -13.651 -12.717 1.00 70.14 H new ATOM 0 HD3 LYS A 105 27.536 -13.351 -12.605 1.00 70.14 H new ATOM 0 HE2 LYS A 105 27.117 -15.415 -13.860 1.00 42.44 H new ATOM 0 HE3 LYS A 105 27.970 -15.774 -12.372 1.00 42.44 H new ATOM 0 HZ1 LYS A 105 26.312 -17.067 -11.703 1.00 54.35 H new ATOM 0 HZ2 LYS A 105 25.154 -15.850 -11.950 1.00 54.35 H new ATOM 0 HZ3 LYS A 105 25.593 -16.875 -13.230 1.00 54.35 H new ATOM 1571 N PRO A 106 28.356 -16.886 -8.377 1.00 44.22 N ATOM 1572 CA PRO A 106 29.149 -18.088 -8.103 1.00 31.20 C ATOM 1573 C PRO A 106 30.203 -18.344 -9.176 1.00 45.44 C ATOM 1574 O PRO A 106 30.061 -19.253 -9.994 1.00 63.41 O ATOM 1575 CB PRO A 106 28.106 -19.207 -8.099 1.00 53.14 C ATOM 1576 CG PRO A 106 26.998 -18.697 -8.953 1.00 53.02 C ATOM 1577 CD PRO A 106 26.966 -17.208 -8.744 1.00 42.22 C ATOM 0 HA PRO A 106 29.708 -18.005 -7.171 1.00 31.20 H new ATOM 0 HB2 PRO A 106 28.519 -20.134 -8.498 1.00 53.14 H new ATOM 0 HB3 PRO A 106 27.760 -19.421 -7.088 1.00 53.14 H new ATOM 0 HG2 PRO A 106 27.170 -18.940 -10.002 1.00 53.02 H new ATOM 0 HG3 PRO A 106 26.048 -19.151 -8.672 1.00 53.02 H new ATOM 0 HD2 PRO A 106 26.656 -16.682 -9.647 1.00 42.22 H new ATOM 0 HD3 PRO A 106 26.267 -16.928 -7.956 1.00 42.22 H new ATOM 1585 N CYS A 107 31.258 -17.536 -9.166 1.00 53.12 N ATOM 1586 CA CYS A 107 32.336 -17.676 -10.138 1.00 3.31 C ATOM 1587 C CYS A 107 33.668 -17.938 -9.439 1.00 55.25 C ATOM 1588 O CYS A 107 33.925 -17.419 -8.353 1.00 40.32 O ATOM 1589 CB CYS A 107 32.440 -16.416 -11.000 1.00 62.42 C ATOM 1590 SG CYS A 107 33.727 -16.498 -12.286 1.00 54.12 S ATOM 0 H CYS A 107 31.389 -16.778 -8.496 1.00 53.12 H new ATOM 0 HA CYS A 107 32.107 -18.528 -10.777 1.00 3.31 H new ATOM 0 HB2 CYS A 107 31.477 -16.234 -11.476 1.00 62.42 H new ATOM 0 HB3 CYS A 107 32.642 -15.562 -10.353 1.00 62.42 H new ATOM 1596 N THR A 108 34.511 -18.748 -10.072 1.00 13.32 N ATOM 1597 CA THR A 108 35.815 -19.080 -9.513 1.00 12.21 C ATOM 1598 C THR A 108 36.905 -19.011 -10.577 1.00 42.23 C ATOM 1599 O THR A 108 36.693 -19.407 -11.724 1.00 63.21 O ATOM 1600 CB THR A 108 35.815 -20.488 -8.885 1.00 73.54 C ATOM 1601 OG1 THR A 108 37.156 -20.890 -8.586 1.00 4.41 O ATOM 1602 CG2 THR A 108 35.175 -21.499 -9.826 1.00 1.53 C ATOM 0 H THR A 108 34.314 -19.186 -10.972 1.00 13.32 H new ATOM 0 HA THR A 108 36.022 -18.343 -8.737 1.00 12.21 H new ATOM 0 HB THR A 108 35.233 -20.452 -7.964 1.00 73.54 H new ATOM 0 HG1 THR A 108 37.148 -21.785 -8.186 1.00 4.41 H new ATOM 0 HG21 THR A 108 35.186 -22.485 -9.362 1.00 1.53 H new ATOM 0 HG22 THR A 108 34.145 -21.205 -10.030 1.00 1.53 H new ATOM 0 HG23 THR A 108 35.735 -21.531 -10.761 1.00 1.53 H new ATOM 1610 N THR A 109 38.072 -18.506 -10.191 1.00 45.52 N ATOM 1611 CA THR A 109 39.195 -18.384 -11.112 1.00 40.44 C ATOM 1612 C THR A 109 40.509 -18.221 -10.358 1.00 34.10 C ATOM 1613 O THR A 109 40.716 -17.231 -9.655 1.00 11.53 O ATOM 1614 CB THR A 109 39.010 -17.189 -12.067 1.00 22.13 C ATOM 1615 OG1 THR A 109 37.829 -17.369 -12.854 1.00 45.03 O ATOM 1616 CG2 THR A 109 40.217 -17.037 -12.980 1.00 63.41 C ATOM 0 H THR A 109 38.264 -18.174 -9.246 1.00 45.52 H new ATOM 0 HA THR A 109 39.227 -19.304 -11.696 1.00 40.44 H new ATOM 0 HB THR A 109 38.911 -16.284 -11.468 1.00 22.13 H new ATOM 0 HG1 THR A 109 37.517 -18.294 -12.769 1.00 45.03 H new ATOM 0 HG21 THR A 109 40.065 -16.187 -13.646 1.00 63.41 H new ATOM 0 HG22 THR A 109 41.110 -16.871 -12.378 1.00 63.41 H new ATOM 0 HG23 THR A 109 40.342 -17.944 -13.572 1.00 63.41 H new