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 Set 1.1: A 76 CYS SG : rot -149:sc= -2.09! USER MOD Set 1.2: A 102 TYR OH : rot 51:sc= 0.157 USER MOD Single : A 13 SER OG : rot 31:sc= 0.0411 USER MOD Single : A 16 GLN : amide:sc=-4.93e-05 K(o=-4.9e-05,f=-0.83) USER MOD Single : A 17 THR OG1 : rot 87:sc= 1.02 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 USER MOD Single : A 31 LYS NZ :NH3+ -153:sc= 1.23 (180deg=0.529) USER MOD Single : A 32 LYS NZ :NH3+ -109:sc= -0.731 (180deg=-2.82!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -0.03 USER MOD Single : A 42 GLN : amide:sc= -0.353 K(o=-0.35,f=-2.2) USER MOD Single : A 44 SER OG : rot -130:sc= -0.0746 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 CYS SG : rot 67:sc= -1.99 USER MOD Single : A 62 THR OG1 : rot 91:sc= 0.987 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 78 SER OG : rot 160:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 1.98 K(o=2,f=-5.3!) USER MOD Single : A 87 CYS SG : rot 85:sc= -0.773 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= -0.351 K(o=-0.35,f=-5.5!) USER MOD Single : A 103 GLN : amide:sc= -0.522 X(o=-0.52,f=-0.83) USER MOD Single : A 105 GLN : amide:sc= -1.05 K(o=-1.1,f=-3.9e-05) USER MOD Single : A 106 ASN : amide:sc= 0.903 K(o=0.9,f=0) USER MOD Single : A 108 ASN : amide:sc= -0.807 K(o=-0.81,f=-12!) USER MOD Single : A 109 LYS NZ :NH3+ -177:sc= 1.94 (180deg=1.71) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 84:sc= 0.619 USER MOD Single : A 118 ASN : amide:sc= -0.374 X(o=-0.37,f=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 THR OG1 : rot -83:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 195 N SER A 13 3.309 5.811 -13.095 1.00 1.12 N ATOM 196 CA SER A 13 2.089 5.432 -12.357 1.00 2.20 C ATOM 197 C SER A 13 2.239 5.610 -10.833 1.00 72.33 C ATOM 198 O SER A 13 1.253 5.614 -10.098 1.00 5.11 O ATOM 199 CB SER A 13 1.706 3.976 -12.676 1.00 61.21 C ATOM 200 OG SER A 13 1.469 3.793 -14.067 1.00 24.11 O ATOM 0 HA SER A 13 1.297 6.105 -12.687 1.00 2.20 H new ATOM 0 HB2 SER A 13 2.504 3.309 -12.351 1.00 61.21 H new ATOM 0 HB3 SER A 13 0.813 3.702 -12.114 1.00 61.21 H new ATOM 0 HG SER A 13 2.031 4.412 -14.579 1.00 24.11 H new ATOM 206 N ALA A 14 3.476 5.752 -10.363 1.00 33.54 N ATOM 207 CA ALA A 14 3.747 5.980 -8.940 1.00 42.10 C ATOM 208 C ALA A 14 3.501 7.441 -8.519 1.00 53.30 C ATOM 209 O ALA A 14 3.010 7.692 -7.423 1.00 43.12 O ATOM 210 CB ALA A 14 5.173 5.567 -8.609 1.00 10.44 C ATOM 0 H ALA A 14 4.311 5.713 -10.947 1.00 33.54 H new ATOM 0 HA ALA A 14 3.047 5.365 -8.374 1.00 42.10 H new ATOM 0 HB1 ALA A 14 5.365 5.740 -7.550 1.00 10.44 H new ATOM 0 HB2 ALA A 14 5.307 4.509 -8.834 1.00 10.44 H new ATOM 0 HB3 ALA A 14 5.870 6.156 -9.205 1.00 10.44 H new ATOM 216 N GLU A 15 3.835 8.399 -9.393 1.00 3.44 N ATOM 217 CA GLU A 15 3.692 9.835 -9.074 1.00 71.31 C ATOM 218 C GLU A 15 2.252 10.184 -8.664 1.00 62.30 C ATOM 219 O GLU A 15 2.016 10.810 -7.624 1.00 52.01 O ATOM 220 CB GLU A 15 4.104 10.702 -10.278 1.00 52.54 C ATOM 221 CG GLU A 15 5.545 10.495 -10.728 1.00 31.42 C ATOM 222 CD GLU A 15 5.947 11.417 -11.870 1.00 11.33 C ATOM 223 OE1 GLU A 15 5.685 11.068 -13.043 1.00 14.24 O ATOM 224 OE2 GLU A 15 6.531 12.490 -11.595 1.00 44.11 O ATOM 0 H GLU A 15 4.205 8.212 -10.325 1.00 3.44 H new ATOM 0 HA GLU A 15 4.351 10.044 -8.232 1.00 71.31 H new ATOM 0 HB2 GLU A 15 3.439 10.485 -11.114 1.00 52.54 H new ATOM 0 HB3 GLU A 15 3.962 11.752 -10.022 1.00 52.54 H new ATOM 0 HG2 GLU A 15 6.212 10.661 -9.882 1.00 31.42 H new ATOM 0 HG3 GLU A 15 5.678 9.459 -11.040 1.00 31.42 H new ATOM 231 N GLN A 16 1.295 9.779 -9.495 1.00 5.03 N ATOM 232 CA GLN A 16 -0.127 9.997 -9.216 1.00 32.12 C ATOM 233 C GLN A 16 -0.557 9.278 -7.922 1.00 23.03 C ATOM 234 O GLN A 16 -1.359 9.798 -7.146 1.00 11.11 O ATOM 235 CB GLN A 16 -0.974 9.524 -10.412 1.00 41.14 C ATOM 236 CG GLN A 16 -0.803 8.045 -10.749 1.00 13.12 C ATOM 237 CD GLN A 16 -1.469 7.652 -12.059 1.00 43.12 C ATOM 238 OE1 GLN A 16 -1.565 8.445 -12.988 1.00 5.30 O ATOM 239 NE2 GLN A 16 -1.927 6.421 -12.146 1.00 23.43 N ATOM 0 H GLN A 16 1.478 9.294 -10.374 1.00 5.03 H new ATOM 0 HA GLN A 16 -0.291 11.064 -9.068 1.00 32.12 H new ATOM 0 HB2 GLN A 16 -2.025 9.718 -10.199 1.00 41.14 H new ATOM 0 HB3 GLN A 16 -0.711 10.118 -11.287 1.00 41.14 H new ATOM 0 HG2 GLN A 16 0.260 7.811 -10.804 1.00 13.12 H new ATOM 0 HG3 GLN A 16 -1.220 7.444 -9.941 1.00 13.12 H new ATOM 0 HE21 GLN A 16 -1.832 5.784 -11.355 1.00 23.43 H new ATOM 0 HE22 GLN A 16 -2.377 6.104 -13.005 1.00 23.43 H new ATOM 248 N THR A 17 0.013 8.094 -7.686 1.00 61.44 N ATOM 249 CA THR A 17 -0.282 7.312 -6.475 1.00 45.23 C ATOM 250 C THR A 17 0.220 8.021 -5.208 1.00 34.21 C ATOM 251 O THR A 17 -0.484 8.073 -4.201 1.00 1.25 O ATOM 252 CB THR A 17 0.339 5.892 -6.546 1.00 72.54 C ATOM 253 OG1 THR A 17 -0.156 5.200 -7.703 1.00 43.52 O ATOM 254 CG2 THR A 17 0.021 5.080 -5.292 1.00 2.10 C ATOM 0 H THR A 17 0.683 7.652 -8.316 1.00 61.44 H new ATOM 0 HA THR A 17 -1.367 7.221 -6.423 1.00 45.23 H new ATOM 0 HB THR A 17 1.421 6.003 -6.615 1.00 72.54 H new ATOM 0 HG1 THR A 17 0.404 5.415 -8.478 1.00 43.52 H new ATOM 0 HG21 THR A 17 0.471 4.091 -5.375 1.00 2.10 H new ATOM 0 HG22 THR A 17 0.424 5.590 -4.417 1.00 2.10 H new ATOM 0 HG23 THR A 17 -1.059 4.979 -5.188 1.00 2.10 H new ATOM 262 N VAL A 18 1.436 8.572 -5.261 1.00 2.32 N ATOM 263 CA VAL A 18 1.996 9.331 -4.133 1.00 34.23 C ATOM 264 C VAL A 18 1.061 10.482 -3.735 1.00 35.21 C ATOM 265 O VAL A 18 0.674 10.614 -2.573 1.00 74.02 O ATOM 266 CB VAL A 18 3.399 9.911 -4.464 1.00 55.43 C ATOM 267 CG1 VAL A 18 3.944 10.727 -3.289 1.00 24.21 C ATOM 268 CG2 VAL A 18 4.376 8.798 -4.846 1.00 70.32 C ATOM 0 H VAL A 18 2.053 8.508 -6.071 1.00 2.32 H new ATOM 0 HA VAL A 18 2.096 8.632 -3.303 1.00 34.23 H new ATOM 0 HB VAL A 18 3.291 10.577 -5.320 1.00 55.43 H new ATOM 0 HG11 VAL A 18 4.927 11.122 -3.545 1.00 24.21 H new ATOM 0 HG12 VAL A 18 3.266 11.553 -3.074 1.00 24.21 H new ATOM 0 HG13 VAL A 18 4.028 10.088 -2.410 1.00 24.21 H new ATOM 0 HG21 VAL A 18 5.350 9.231 -5.073 1.00 70.32 H new ATOM 0 HG22 VAL A 18 4.474 8.099 -4.015 1.00 70.32 H new ATOM 0 HG23 VAL A 18 4.001 8.270 -5.722 1.00 70.32 H new ATOM 278 N THR A 19 0.691 11.302 -4.719 1.00 4.13 N ATOM 279 CA THR A 19 -0.245 12.414 -4.498 1.00 41.04 C ATOM 280 C THR A 19 -1.566 11.907 -3.889 1.00 74.31 C ATOM 281 O THR A 19 -2.134 12.529 -2.986 1.00 71.21 O ATOM 282 CB THR A 19 -0.552 13.164 -5.820 1.00 21.30 C ATOM 283 OG1 THR A 19 0.672 13.502 -6.499 1.00 45.44 O ATOM 284 CG2 THR A 19 -1.353 14.437 -5.556 1.00 13.54 C ATOM 0 H THR A 19 1.024 11.220 -5.680 1.00 4.13 H new ATOM 0 HA THR A 19 0.234 13.103 -3.803 1.00 41.04 H new ATOM 0 HB THR A 19 -1.146 12.501 -6.449 1.00 21.30 H new ATOM 0 HG1 THR A 19 0.464 13.973 -7.333 1.00 45.44 H new ATOM 0 HG21 THR A 19 -1.554 14.943 -6.500 1.00 13.54 H new ATOM 0 HG22 THR A 19 -2.296 14.180 -5.074 1.00 13.54 H new ATOM 0 HG23 THR A 19 -0.781 15.098 -4.905 1.00 13.54 H new ATOM 292 N TRP A 20 -2.035 10.763 -4.388 1.00 74.11 N ATOM 293 CA TRP A 20 -3.259 10.120 -3.890 1.00 62.33 C ATOM 294 C TRP A 20 -3.122 9.701 -2.409 1.00 2.51 C ATOM 295 O TRP A 20 -4.043 9.887 -1.611 1.00 51.42 O ATOM 296 CB TRP A 20 -3.588 8.905 -4.774 1.00 74.24 C ATOM 297 CG TRP A 20 -4.833 8.165 -4.378 1.00 51.11 C ATOM 298 CD1 TRP A 20 -6.079 8.689 -4.194 1.00 4.31 C ATOM 299 CD2 TRP A 20 -4.950 6.760 -4.143 1.00 5.21 C ATOM 300 NE1 TRP A 20 -6.960 7.696 -3.847 1.00 45.12 N ATOM 301 CE2 TRP A 20 -6.291 6.500 -3.812 1.00 41.43 C ATOM 302 CE3 TRP A 20 -4.046 5.698 -4.182 1.00 30.32 C ATOM 303 CZ2 TRP A 20 -6.750 5.220 -3.517 1.00 21.22 C ATOM 304 CZ3 TRP A 20 -4.501 4.428 -3.892 1.00 10.43 C ATOM 305 CH2 TRP A 20 -5.844 4.198 -3.565 1.00 73.13 C ATOM 0 H TRP A 20 -1.581 10.254 -5.147 1.00 74.11 H new ATOM 0 HA TRP A 20 -4.076 10.840 -3.942 1.00 62.33 H new ATOM 0 HB2 TRP A 20 -3.693 9.240 -5.806 1.00 74.24 H new ATOM 0 HB3 TRP A 20 -2.746 8.214 -4.747 1.00 74.24 H new ATOM 0 HD1 TRP A 20 -6.335 9.732 -4.305 1.00 4.31 H new ATOM 0 HE1 TRP A 20 -7.952 7.827 -3.647 1.00 45.12 H new ATOM 0 HE3 TRP A 20 -3.010 5.867 -4.434 1.00 30.32 H new ATOM 0 HZ2 TRP A 20 -7.784 5.041 -3.260 1.00 21.22 H new ATOM 0 HZ3 TRP A 20 -3.811 3.598 -3.917 1.00 10.43 H new ATOM 0 HH2 TRP A 20 -6.170 3.192 -3.346 1.00 73.13 H new ATOM 316 N LEU A 21 -1.964 9.155 -2.042 1.00 2.31 N ATOM 317 CA LEU A 21 -1.703 8.752 -0.652 1.00 15.02 C ATOM 318 C LEU A 21 -1.633 9.972 0.284 1.00 73.22 C ATOM 319 O LEU A 21 -2.057 9.910 1.445 1.00 41.52 O ATOM 320 CB LEU A 21 -0.393 7.954 -0.565 1.00 22.23 C ATOM 321 CG LEU A 21 -0.352 6.651 -1.382 1.00 10.52 C ATOM 322 CD1 LEU A 21 0.968 5.916 -1.170 1.00 34.42 C ATOM 323 CD2 LEU A 21 -1.531 5.752 -1.026 1.00 74.33 C ATOM 0 H LEU A 21 -1.190 8.980 -2.683 1.00 2.31 H new ATOM 0 HA LEU A 21 -2.532 8.122 -0.329 1.00 15.02 H new ATOM 0 HB2 LEU A 21 0.424 8.595 -0.896 1.00 22.23 H new ATOM 0 HB3 LEU A 21 -0.205 7.712 0.481 1.00 22.23 H new ATOM 0 HG LEU A 21 -0.428 6.913 -2.437 1.00 10.52 H new ATOM 0 HD11 LEU A 21 0.972 4.998 -1.758 1.00 34.42 H new ATOM 0 HD12 LEU A 21 1.794 6.553 -1.486 1.00 34.42 H new ATOM 0 HD13 LEU A 21 1.082 5.671 -0.114 1.00 34.42 H new ATOM 0 HD21 LEU A 21 -1.482 4.837 -1.616 1.00 74.33 H new ATOM 0 HD22 LEU A 21 -1.492 5.503 0.034 1.00 74.33 H new ATOM 0 HD23 LEU A 21 -2.464 6.273 -1.242 1.00 74.33 H new ATOM 335 N ILE A 22 -1.093 11.079 -0.225 1.00 72.12 N ATOM 336 CA ILE A 22 -0.986 12.321 0.551 1.00 12.41 C ATOM 337 C ILE A 22 -2.374 12.908 0.872 1.00 61.31 C ATOM 338 O ILE A 22 -2.673 13.214 2.027 1.00 22.42 O ATOM 339 CB ILE A 22 -0.129 13.381 -0.194 1.00 43.03 C ATOM 340 CG1 ILE A 22 1.297 12.850 -0.420 1.00 33.41 C ATOM 341 CG2 ILE A 22 -0.101 14.705 0.579 1.00 44.43 C ATOM 342 CD1 ILE A 22 2.178 13.783 -1.225 1.00 22.42 C ATOM 0 H ILE A 22 -0.721 11.144 -1.173 1.00 72.12 H new ATOM 0 HA ILE A 22 -0.491 12.066 1.488 1.00 12.41 H new ATOM 0 HB ILE A 22 -0.586 13.571 -1.165 1.00 43.03 H new ATOM 0 HG12 ILE A 22 1.765 12.669 0.548 1.00 33.41 H new ATOM 0 HG13 ILE A 22 1.240 11.889 -0.931 1.00 33.41 H new ATOM 0 HG21 ILE A 22 0.505 15.430 0.037 1.00 44.43 H new ATOM 0 HG22 ILE A 22 -1.117 15.087 0.683 1.00 44.43 H new ATOM 0 HG23 ILE A 22 0.328 14.540 1.567 1.00 44.43 H new ATOM 0 HD11 ILE A 22 3.167 13.339 -1.342 1.00 22.42 H new ATOM 0 HD12 ILE A 22 1.734 13.945 -2.207 1.00 22.42 H new ATOM 0 HD13 ILE A 22 2.268 14.737 -0.706 1.00 22.42 H new ATOM 354 N THR A 23 -3.229 13.040 -0.145 1.00 42.45 N ATOM 355 CA THR A 23 -4.578 13.608 0.051 1.00 3.41 C ATOM 356 C THR A 23 -5.442 12.731 0.977 1.00 31.32 C ATOM 357 O THR A 23 -6.236 13.243 1.768 1.00 51.13 O ATOM 358 CB THR A 23 -5.330 13.832 -1.289 1.00 4.24 C ATOM 359 OG1 THR A 23 -6.610 14.435 -1.044 1.00 42.14 O ATOM 360 CG2 THR A 23 -5.529 12.526 -2.052 1.00 22.12 C ATOM 0 H THR A 23 -3.021 12.766 -1.105 1.00 42.45 H new ATOM 0 HA THR A 23 -4.420 14.578 0.523 1.00 3.41 H new ATOM 0 HB THR A 23 -4.716 14.495 -1.898 1.00 4.24 H new ATOM 0 HG1 THR A 23 -7.075 14.573 -1.896 1.00 42.14 H new ATOM 0 HG21 THR A 23 -6.059 12.726 -2.983 1.00 22.12 H new ATOM 0 HG22 THR A 23 -4.558 12.083 -2.275 1.00 22.12 H new ATOM 0 HG23 THR A 23 -6.112 11.835 -1.444 1.00 22.12 H new ATOM 368 N LEU A 24 -5.271 11.408 0.892 1.00 31.43 N ATOM 369 CA LEU A 24 -5.985 10.476 1.781 1.00 12.45 C ATOM 370 C LEU A 24 -5.440 10.533 3.223 1.00 63.52 C ATOM 371 O LEU A 24 -5.981 9.894 4.127 1.00 74.35 O ATOM 372 CB LEU A 24 -5.896 9.037 1.245 1.00 22.01 C ATOM 373 CG LEU A 24 -6.676 8.755 -0.053 1.00 35.45 C ATOM 374 CD1 LEU A 24 -6.547 7.288 -0.445 1.00 32.33 C ATOM 375 CD2 LEU A 24 -8.145 9.140 0.106 1.00 54.35 C ATOM 0 H LEU A 24 -4.649 10.957 0.222 1.00 31.43 H new ATOM 0 HA LEU A 24 -7.030 10.786 1.801 1.00 12.45 H new ATOM 0 HB2 LEU A 24 -4.846 8.797 1.075 1.00 22.01 H new ATOM 0 HB3 LEU A 24 -6.257 8.359 2.018 1.00 22.01 H new ATOM 0 HG LEU A 24 -6.248 9.364 -0.849 1.00 35.45 H new ATOM 0 HD11 LEU A 24 -7.104 7.107 -1.364 1.00 32.33 H new ATOM 0 HD12 LEU A 24 -5.496 7.045 -0.604 1.00 32.33 H new ATOM 0 HD13 LEU A 24 -6.948 6.662 0.352 1.00 32.33 H new ATOM 0 HD21 LEU A 24 -8.678 8.933 -0.822 1.00 54.35 H new ATOM 0 HD22 LEU A 24 -8.588 8.560 0.916 1.00 54.35 H new ATOM 0 HD23 LEU A 24 -8.220 10.202 0.338 1.00 54.35 H new ATOM 387 N GLY A 25 -4.360 11.291 3.423 1.00 25.04 N ATOM 388 CA GLY A 25 -3.795 11.474 4.756 1.00 71.24 C ATOM 389 C GLY A 25 -3.117 10.227 5.318 1.00 54.34 C ATOM 390 O GLY A 25 -2.948 10.098 6.532 1.00 40.44 O ATOM 0 H GLY A 25 -3.863 11.785 2.681 1.00 25.04 H new ATOM 0 HA2 GLY A 25 -3.069 12.287 4.724 1.00 71.24 H new ATOM 0 HA3 GLY A 25 -4.588 11.782 5.437 1.00 71.24 H new ATOM 394 N VAL A 26 -2.727 9.302 4.444 1.00 52.32 N ATOM 395 CA VAL A 26 -2.055 8.071 4.882 1.00 70.22 C ATOM 396 C VAL A 26 -0.527 8.204 4.802 1.00 12.04 C ATOM 397 O VAL A 26 0.205 7.542 5.542 1.00 63.04 O ATOM 398 CB VAL A 26 -2.517 6.845 4.054 1.00 53.12 C ATOM 399 CG1 VAL A 26 -4.032 6.684 4.140 1.00 25.11 C ATOM 400 CG2 VAL A 26 -2.064 6.954 2.599 1.00 50.51 C ATOM 0 H VAL A 26 -2.861 9.376 3.436 1.00 52.32 H new ATOM 0 HA VAL A 26 -2.337 7.914 5.923 1.00 70.22 H new ATOM 0 HB VAL A 26 -2.050 5.957 4.479 1.00 53.12 H new ATOM 0 HG11 VAL A 26 -4.340 5.819 3.553 1.00 25.11 H new ATOM 0 HG12 VAL A 26 -4.324 6.540 5.180 1.00 25.11 H new ATOM 0 HG13 VAL A 26 -4.516 7.579 3.748 1.00 25.11 H new ATOM 0 HG21 VAL A 26 -2.404 6.079 2.046 1.00 50.51 H new ATOM 0 HG22 VAL A 26 -2.488 7.853 2.152 1.00 50.51 H new ATOM 0 HG23 VAL A 26 -0.976 7.008 2.560 1.00 50.51 H new ATOM 410 N LEU A 27 -0.059 9.080 3.919 1.00 33.41 N ATOM 411 CA LEU A 27 1.376 9.304 3.722 1.00 52.13 C ATOM 412 C LEU A 27 1.747 10.773 3.986 1.00 31.34 C ATOM 413 O LEU A 27 0.925 11.675 3.809 1.00 3.31 O ATOM 414 CB LEU A 27 1.764 8.900 2.291 1.00 71.31 C ATOM 415 CG LEU A 27 3.255 9.034 1.932 1.00 61.10 C ATOM 416 CD1 LEU A 27 4.126 8.241 2.905 1.00 73.10 C ATOM 417 CD2 LEU A 27 3.500 8.582 0.494 1.00 50.23 C ATOM 0 H LEU A 27 -0.655 9.653 3.322 1.00 33.41 H new ATOM 0 HA LEU A 27 1.928 8.690 4.433 1.00 52.13 H new ATOM 0 HB2 LEU A 27 1.465 7.864 2.134 1.00 71.31 H new ATOM 0 HB3 LEU A 27 1.187 9.508 1.594 1.00 71.31 H new ATOM 0 HG LEU A 27 3.532 10.085 2.015 1.00 61.10 H new ATOM 0 HD11 LEU A 27 5.174 8.353 2.629 1.00 73.10 H new ATOM 0 HD12 LEU A 27 3.975 8.616 3.917 1.00 73.10 H new ATOM 0 HD13 LEU A 27 3.850 7.187 2.864 1.00 73.10 H new ATOM 0 HD21 LEU A 27 4.559 8.683 0.256 1.00 50.23 H new ATOM 0 HD22 LEU A 27 3.201 7.539 0.384 1.00 50.23 H new ATOM 0 HD23 LEU A 27 2.915 9.200 -0.187 1.00 50.23 H new ATOM 429 N GLU A 28 2.976 11.000 4.445 1.00 43.23 N ATOM 430 CA GLU A 28 3.481 12.353 4.705 1.00 24.43 C ATOM 431 C GLU A 28 3.679 13.152 3.407 1.00 62.34 C ATOM 432 O GLU A 28 3.891 12.584 2.335 1.00 2.32 O ATOM 433 CB GLU A 28 4.828 12.283 5.447 1.00 45.23 C ATOM 434 CG GLU A 28 5.924 11.571 4.651 1.00 63.54 C ATOM 435 CD GLU A 28 7.308 11.714 5.270 1.00 33.22 C ATOM 436 OE1 GLU A 28 7.531 11.178 6.377 1.00 73.53 O ATOM 437 OE2 GLU A 28 8.183 12.363 4.649 1.00 71.14 O ATOM 0 H GLU A 28 3.648 10.260 4.647 1.00 43.23 H new ATOM 0 HA GLU A 28 2.734 12.860 5.316 1.00 24.43 H new ATOM 0 HB2 GLU A 28 5.158 13.295 5.681 1.00 45.23 H new ATOM 0 HB3 GLU A 28 4.685 11.767 6.396 1.00 45.23 H new ATOM 0 HG2 GLU A 28 5.677 10.512 4.572 1.00 63.54 H new ATOM 0 HG3 GLU A 28 5.944 11.970 3.637 1.00 63.54 H new ATOM 444 N SER A 29 3.607 14.476 3.515 1.00 75.11 N ATOM 445 CA SER A 29 4.002 15.354 2.411 1.00 51.21 C ATOM 446 C SER A 29 5.528 15.492 2.396 1.00 61.43 C ATOM 447 O SER A 29 6.121 15.958 3.369 1.00 54.52 O ATOM 448 CB SER A 29 3.355 16.740 2.541 1.00 12.22 C ATOM 449 OG SER A 29 3.715 17.590 1.458 1.00 21.30 O ATOM 0 H SER A 29 3.281 14.965 4.349 1.00 75.11 H new ATOM 0 HA SER A 29 3.658 14.910 1.477 1.00 51.21 H new ATOM 0 HB2 SER A 29 2.271 16.634 2.576 1.00 12.22 H new ATOM 0 HB3 SER A 29 3.661 17.198 3.481 1.00 12.22 H new ATOM 0 HG SER A 29 3.285 18.463 1.571 1.00 21.30 H new ATOM 455 N PRO A 30 6.180 15.093 1.293 1.00 12.30 N ATOM 456 CA PRO A 30 7.654 15.021 1.211 1.00 1.44 C ATOM 457 C PRO A 30 8.373 16.360 1.454 1.00 12.34 C ATOM 458 O PRO A 30 7.968 17.410 0.946 1.00 60.32 O ATOM 459 CB PRO A 30 7.902 14.541 -0.229 1.00 51.54 C ATOM 460 CG PRO A 30 6.650 14.887 -0.963 1.00 34.23 C ATOM 461 CD PRO A 30 5.546 14.682 0.028 1.00 21.55 C ATOM 0 HA PRO A 30 8.051 14.368 1.989 1.00 1.44 H new ATOM 0 HB2 PRO A 30 8.768 15.036 -0.668 1.00 51.54 H new ATOM 0 HB3 PRO A 30 8.097 13.469 -0.261 1.00 51.54 H new ATOM 0 HG2 PRO A 30 6.674 15.917 -1.319 1.00 34.23 H new ATOM 0 HG3 PRO A 30 6.517 14.250 -1.838 1.00 34.23 H new ATOM 0 HD2 PRO A 30 4.672 15.290 -0.205 1.00 21.55 H new ATOM 0 HD3 PRO A 30 5.214 13.644 0.058 1.00 21.55 H new ATOM 469 N LYS A 31 9.446 16.310 2.240 1.00 75.12 N ATOM 470 CA LYS A 31 10.360 17.449 2.399 1.00 32.44 C ATOM 471 C LYS A 31 11.508 17.335 1.388 1.00 44.15 C ATOM 472 O LYS A 31 12.221 18.303 1.109 1.00 52.53 O ATOM 473 CB LYS A 31 10.924 17.510 3.830 1.00 13.30 C ATOM 474 CG LYS A 31 9.896 17.885 4.900 1.00 14.51 C ATOM 475 CD LYS A 31 8.923 16.748 5.209 1.00 60.50 C ATOM 476 CE LYS A 31 9.613 15.578 5.903 1.00 70.14 C ATOM 477 NZ LYS A 31 8.657 14.495 6.256 1.00 53.44 N ATOM 0 H LYS A 31 9.709 15.487 2.783 1.00 75.12 H new ATOM 0 HA LYS A 31 9.802 18.367 2.215 1.00 32.44 H new ATOM 0 HB2 LYS A 31 11.353 16.540 4.080 1.00 13.30 H new ATOM 0 HB3 LYS A 31 11.738 18.234 3.856 1.00 13.30 H new ATOM 0 HG2 LYS A 31 10.417 18.170 5.814 1.00 14.51 H new ATOM 0 HG3 LYS A 31 9.334 18.758 4.568 1.00 14.51 H new ATOM 0 HD2 LYS A 31 8.118 17.122 5.842 1.00 60.50 H new ATOM 0 HD3 LYS A 31 8.465 16.401 4.283 1.00 60.50 H new ATOM 0 HE2 LYS A 31 10.390 15.177 5.251 1.00 70.14 H new ATOM 0 HE3 LYS A 31 10.107 15.934 6.807 1.00 70.14 H new ATOM 0 HZ1 LYS A 31 9.016 13.969 7.078 1.00 53.44 H new ATOM 0 HZ2 LYS A 31 7.732 14.910 6.488 1.00 53.44 H new ATOM 0 HZ3 LYS A 31 8.553 13.847 5.449 1.00 53.44 H new ATOM 491 N LYS A 32 11.676 16.126 0.859 1.00 21.55 N ATOM 492 CA LYS A 32 12.676 15.839 -0.169 1.00 3.25 C ATOM 493 C LYS A 32 12.082 15.986 -1.575 1.00 22.31 C ATOM 494 O LYS A 32 10.896 15.730 -1.793 1.00 31.31 O ATOM 495 CB LYS A 32 13.209 14.409 0.012 1.00 33.34 C ATOM 496 CG LYS A 32 12.106 13.348 0.003 1.00 32.33 C ATOM 497 CD LYS A 32 12.630 11.928 0.223 1.00 4.42 C ATOM 498 CE LYS A 32 13.500 11.432 -0.932 1.00 40.31 C ATOM 499 NZ LYS A 32 14.897 11.935 -0.842 1.00 42.31 N ATOM 0 H LYS A 32 11.121 15.314 1.131 1.00 21.55 H new ATOM 0 HA LYS A 32 13.490 16.556 -0.061 1.00 3.25 H new ATOM 0 HB2 LYS A 32 13.921 14.190 -0.784 1.00 33.34 H new ATOM 0 HB3 LYS A 32 13.755 14.348 0.954 1.00 33.34 H new ATOM 0 HG2 LYS A 32 11.379 13.584 0.780 1.00 32.33 H new ATOM 0 HG3 LYS A 32 11.579 13.390 -0.950 1.00 32.33 H new ATOM 0 HD2 LYS A 32 13.208 11.898 1.146 1.00 4.42 H new ATOM 0 HD3 LYS A 32 11.786 11.250 0.353 1.00 4.42 H new ATOM 0 HE2 LYS A 32 13.508 10.342 -0.936 1.00 40.31 H new ATOM 0 HE3 LYS A 32 13.061 11.751 -1.878 1.00 40.31 H new ATOM 0 HZ1 LYS A 32 15.060 12.642 -1.587 1.00 42.31 H new ATOM 0 HZ2 LYS A 32 15.049 12.373 0.089 1.00 42.31 H new ATOM 0 HZ3 LYS A 32 15.560 11.143 -0.965 1.00 42.31 H new ATOM 513 N THR A 33 12.908 16.396 -2.529 1.00 75.31 N ATOM 514 CA THR A 33 12.488 16.439 -3.935 1.00 41.33 C ATOM 515 C THR A 33 12.475 15.018 -4.516 1.00 54.13 C ATOM 516 O THR A 33 13.512 14.496 -4.931 1.00 31.43 O ATOM 517 CB THR A 33 13.408 17.345 -4.801 1.00 30.01 C ATOM 518 OG1 THR A 33 13.417 18.684 -4.281 1.00 21.45 O ATOM 519 CG2 THR A 33 12.944 17.377 -6.256 1.00 31.04 C ATOM 0 H THR A 33 13.867 16.703 -2.363 1.00 75.31 H new ATOM 0 HA THR A 33 11.486 16.868 -3.961 1.00 41.33 H new ATOM 0 HB THR A 33 14.414 16.926 -4.763 1.00 30.01 H new ATOM 0 HG1 THR A 33 14.001 19.245 -4.833 1.00 21.45 H new ATOM 0 HG21 THR A 33 13.608 18.019 -6.835 1.00 31.04 H new ATOM 0 HG22 THR A 33 12.965 16.368 -6.667 1.00 31.04 H new ATOM 0 HG23 THR A 33 11.927 17.767 -6.305 1.00 31.04 H new ATOM 527 N ILE A 34 11.304 14.384 -4.500 1.00 15.33 N ATOM 528 CA ILE A 34 11.170 12.984 -4.922 1.00 41.11 C ATOM 529 C ILE A 34 11.518 12.793 -6.407 1.00 62.20 C ATOM 530 O ILE A 34 10.738 13.134 -7.298 1.00 35.23 O ATOM 531 CB ILE A 34 9.743 12.438 -4.648 1.00 42.03 C ATOM 532 CG1 ILE A 34 9.390 12.588 -3.156 1.00 30.32 C ATOM 533 CG2 ILE A 34 9.628 10.974 -5.084 1.00 53.42 C ATOM 534 CD1 ILE A 34 8.009 12.081 -2.797 1.00 73.00 C ATOM 0 H ILE A 34 10.430 14.816 -4.199 1.00 15.33 H new ATOM 0 HA ILE A 34 11.885 12.417 -4.326 1.00 41.11 H new ATOM 0 HB ILE A 34 9.033 13.023 -5.233 1.00 42.03 H new ATOM 0 HG12 ILE A 34 10.129 12.050 -2.562 1.00 30.32 H new ATOM 0 HG13 ILE A 34 9.463 13.640 -2.880 1.00 30.32 H new ATOM 0 HG21 ILE A 34 8.620 10.612 -4.883 1.00 53.42 H new ATOM 0 HG22 ILE A 34 9.835 10.895 -6.151 1.00 53.42 H new ATOM 0 HG23 ILE A 34 10.347 10.372 -4.529 1.00 53.42 H new ATOM 0 HD11 ILE A 34 7.836 12.221 -1.730 1.00 73.00 H new ATOM 0 HD12 ILE A 34 7.260 12.635 -3.362 1.00 73.00 H new ATOM 0 HD13 ILE A 34 7.936 11.021 -3.040 1.00 73.00 H new ATOM 546 N SER A 35 12.706 12.256 -6.657 1.00 10.44 N ATOM 547 CA SER A 35 13.161 11.949 -8.016 1.00 22.32 C ATOM 548 C SER A 35 12.522 10.651 -8.521 1.00 61.25 C ATOM 549 O SER A 35 12.022 10.583 -9.647 1.00 55.22 O ATOM 550 CB SER A 35 14.687 11.813 -8.043 1.00 35.22 C ATOM 551 OG SER A 35 15.125 10.831 -7.114 1.00 32.20 O ATOM 0 H SER A 35 13.382 12.020 -5.930 1.00 10.44 H new ATOM 0 HA SER A 35 12.859 12.767 -8.669 1.00 22.32 H new ATOM 0 HB2 SER A 35 15.014 11.541 -9.047 1.00 35.22 H new ATOM 0 HB3 SER A 35 15.146 12.773 -7.807 1.00 35.22 H new ATOM 0 HG SER A 35 16.102 10.760 -7.149 1.00 32.20 H new ATOM 557 N ASP A 36 12.550 9.624 -7.676 1.00 62.33 N ATOM 558 CA ASP A 36 11.950 8.325 -7.991 1.00 32.55 C ATOM 559 C ASP A 36 10.806 7.997 -7.012 1.00 10.35 C ATOM 560 O ASP A 36 11.041 7.587 -5.872 1.00 23.03 O ATOM 561 CB ASP A 36 13.021 7.226 -7.962 1.00 74.21 C ATOM 562 CG ASP A 36 12.435 5.829 -8.094 1.00 43.54 C ATOM 563 OD1 ASP A 36 11.546 5.624 -8.947 1.00 4.51 O ATOM 564 OD2 ASP A 36 12.844 4.933 -7.329 1.00 3.44 O ATOM 0 H ASP A 36 12.987 9.665 -6.755 1.00 62.33 H new ATOM 0 HA ASP A 36 11.528 8.374 -8.995 1.00 32.55 H new ATOM 0 HB2 ASP A 36 13.731 7.395 -8.772 1.00 74.21 H new ATOM 0 HB3 ASP A 36 13.580 7.294 -7.029 1.00 74.21 H new ATOM 569 N PRO A 37 9.545 8.184 -7.445 1.00 43.23 N ATOM 570 CA PRO A 37 8.369 7.911 -6.600 1.00 54.15 C ATOM 571 C PRO A 37 8.140 6.409 -6.358 1.00 20.11 C ATOM 572 O PRO A 37 7.535 6.019 -5.359 1.00 12.52 O ATOM 573 CB PRO A 37 7.214 8.512 -7.411 1.00 65.14 C ATOM 574 CG PRO A 37 7.676 8.446 -8.827 1.00 64.05 C ATOM 575 CD PRO A 37 9.162 8.678 -8.785 1.00 14.24 C ATOM 0 HA PRO A 37 8.479 8.333 -5.601 1.00 54.15 H new ATOM 0 HB2 PRO A 37 6.293 7.947 -7.268 1.00 65.14 H new ATOM 0 HB3 PRO A 37 7.009 9.539 -7.108 1.00 65.14 H new ATOM 0 HG2 PRO A 37 7.444 7.477 -9.269 1.00 64.05 H new ATOM 0 HG3 PRO A 37 7.179 9.201 -9.436 1.00 64.05 H new ATOM 0 HD2 PRO A 37 9.677 8.134 -9.577 1.00 14.24 H new ATOM 0 HD3 PRO A 37 9.408 9.732 -8.911 1.00 14.24 H new ATOM 583 N GLU A 38 8.637 5.574 -7.271 1.00 2.24 N ATOM 584 CA GLU A 38 8.458 4.119 -7.174 1.00 54.43 C ATOM 585 C GLU A 38 9.265 3.537 -6.003 1.00 60.11 C ATOM 586 O GLU A 38 8.732 2.800 -5.170 1.00 52.23 O ATOM 587 CB GLU A 38 8.856 3.453 -8.502 1.00 11.22 C ATOM 588 CG GLU A 38 7.996 3.899 -9.684 1.00 4.00 C ATOM 589 CD GLU A 38 8.424 3.291 -11.011 1.00 75.34 C ATOM 590 OE1 GLU A 38 8.113 2.107 -11.255 1.00 63.32 O ATOM 591 OE2 GLU A 38 9.062 4.003 -11.819 1.00 71.24 O ATOM 0 H GLU A 38 9.167 5.877 -8.088 1.00 2.24 H new ATOM 0 HA GLU A 38 7.406 3.912 -6.980 1.00 54.43 H new ATOM 0 HB2 GLU A 38 9.900 3.680 -8.716 1.00 11.22 H new ATOM 0 HB3 GLU A 38 8.781 2.371 -8.395 1.00 11.22 H new ATOM 0 HG2 GLU A 38 6.958 3.631 -9.489 1.00 4.00 H new ATOM 0 HG3 GLU A 38 8.035 4.985 -9.762 1.00 4.00 H new ATOM 598 N GLY A 39 10.548 3.886 -5.929 1.00 71.13 N ATOM 599 CA GLY A 39 11.375 3.468 -4.800 1.00 53.54 C ATOM 600 C GLY A 39 10.912 4.088 -3.484 1.00 31.53 C ATOM 601 O GLY A 39 10.967 3.453 -2.428 1.00 75.15 O ATOM 0 H GLY A 39 11.032 4.450 -6.628 1.00 71.13 H new ATOM 0 HA2 GLY A 39 11.350 2.382 -4.716 1.00 53.54 H new ATOM 0 HA3 GLY A 39 12.411 3.749 -4.987 1.00 53.54 H new ATOM 605 N PHE A 40 10.449 5.337 -3.558 1.00 43.51 N ATOM 606 CA PHE A 40 9.878 6.030 -2.399 1.00 32.05 C ATOM 607 C PHE A 40 8.665 5.266 -1.838 1.00 2.20 C ATOM 608 O PHE A 40 8.559 5.044 -0.629 1.00 4.31 O ATOM 609 CB PHE A 40 9.475 7.460 -2.798 1.00 42.31 C ATOM 610 CG PHE A 40 8.911 8.285 -1.667 1.00 34.34 C ATOM 611 CD1 PHE A 40 9.747 8.829 -0.701 1.00 51.43 C ATOM 612 CD2 PHE A 40 7.546 8.522 -1.573 1.00 21.24 C ATOM 613 CE1 PHE A 40 9.233 9.591 0.331 1.00 32.30 C ATOM 614 CE2 PHE A 40 7.029 9.283 -0.542 1.00 71.54 C ATOM 615 CZ PHE A 40 7.872 9.818 0.410 1.00 12.21 C ATOM 0 H PHE A 40 10.458 5.893 -4.413 1.00 43.51 H new ATOM 0 HA PHE A 40 10.634 6.075 -1.615 1.00 32.05 H new ATOM 0 HB2 PHE A 40 10.348 7.971 -3.205 1.00 42.31 H new ATOM 0 HB3 PHE A 40 8.736 7.407 -3.597 1.00 42.31 H new ATOM 0 HD1 PHE A 40 10.811 8.655 -0.757 1.00 51.43 H new ATOM 0 HD2 PHE A 40 6.880 8.106 -2.315 1.00 21.24 H new ATOM 0 HE1 PHE A 40 9.895 10.009 1.075 1.00 32.30 H new ATOM 0 HE2 PHE A 40 5.965 9.459 -0.481 1.00 71.54 H new ATOM 0 HZ PHE A 40 7.469 10.413 1.216 1.00 12.21 H new ATOM 625 N LEU A 41 7.754 4.858 -2.724 1.00 22.33 N ATOM 626 CA LEU A 41 6.582 4.071 -2.321 1.00 11.21 C ATOM 627 C LEU A 41 6.985 2.707 -1.742 1.00 44.15 C ATOM 628 O LEU A 41 6.429 2.269 -0.740 1.00 71.23 O ATOM 629 CB LEU A 41 5.623 3.872 -3.504 1.00 5.03 C ATOM 630 CG LEU A 41 4.895 5.137 -3.985 1.00 24.22 C ATOM 631 CD1 LEU A 41 3.960 4.815 -5.148 1.00 33.34 C ATOM 632 CD2 LEU A 41 4.128 5.787 -2.834 1.00 53.25 C ATOM 0 H LEU A 41 7.803 5.058 -3.723 1.00 22.33 H new ATOM 0 HA LEU A 41 6.072 4.635 -1.540 1.00 11.21 H new ATOM 0 HB2 LEU A 41 6.186 3.458 -4.340 1.00 5.03 H new ATOM 0 HB3 LEU A 41 4.877 3.129 -3.223 1.00 5.03 H new ATOM 0 HG LEU A 41 5.642 5.847 -4.340 1.00 24.22 H new ATOM 0 HD11 LEU A 41 3.455 5.725 -5.472 1.00 33.34 H new ATOM 0 HD12 LEU A 41 4.538 4.406 -5.977 1.00 33.34 H new ATOM 0 HD13 LEU A 41 3.218 4.084 -4.827 1.00 33.34 H new ATOM 0 HD21 LEU A 41 3.619 6.681 -3.195 1.00 53.25 H new ATOM 0 HD22 LEU A 41 3.392 5.084 -2.444 1.00 53.25 H new ATOM 0 HD23 LEU A 41 4.824 6.061 -2.041 1.00 53.25 H new ATOM 644 N GLN A 42 7.951 2.044 -2.370 1.00 74.44 N ATOM 645 CA GLN A 42 8.448 0.755 -1.870 1.00 50.20 C ATOM 646 C GLN A 42 8.957 0.881 -0.423 1.00 64.52 C ATOM 647 O GLN A 42 8.553 0.120 0.455 1.00 52.32 O ATOM 648 CB GLN A 42 9.555 0.214 -2.799 1.00 64.22 C ATOM 649 CG GLN A 42 10.115 -1.159 -2.401 1.00 50.11 C ATOM 650 CD GLN A 42 11.149 -1.094 -1.284 1.00 64.31 C ATOM 651 OE1 GLN A 42 11.886 -0.123 -1.158 1.00 11.40 O ATOM 652 NE2 GLN A 42 11.203 -2.119 -0.461 1.00 32.02 N ATOM 0 H GLN A 42 8.407 2.371 -3.222 1.00 74.44 H new ATOM 0 HA GLN A 42 7.621 0.045 -1.867 1.00 50.20 H new ATOM 0 HB2 GLN A 42 9.160 0.150 -3.813 1.00 64.22 H new ATOM 0 HB3 GLN A 42 10.374 0.932 -2.821 1.00 64.22 H new ATOM 0 HG2 GLN A 42 9.292 -1.801 -2.086 1.00 50.11 H new ATOM 0 HG3 GLN A 42 10.567 -1.626 -3.276 1.00 50.11 H new ATOM 0 HE21 GLN A 42 10.576 -2.912 -0.593 1.00 32.02 H new ATOM 0 HE22 GLN A 42 11.872 -2.120 0.309 1.00 32.02 H new ATOM 661 N ALA A 43 9.830 1.859 -0.182 1.00 64.24 N ATOM 662 CA ALA A 43 10.407 2.079 1.151 1.00 13.44 C ATOM 663 C ALA A 43 9.336 2.461 2.190 1.00 54.42 C ATOM 664 O ALA A 43 9.445 2.111 3.368 1.00 25.43 O ATOM 665 CB ALA A 43 11.484 3.156 1.077 1.00 15.12 C ATOM 0 H ALA A 43 10.156 2.515 -0.892 1.00 64.24 H new ATOM 0 HA ALA A 43 10.853 1.140 1.479 1.00 13.44 H new ATOM 0 HB1 ALA A 43 11.908 3.315 2.068 1.00 15.12 H new ATOM 0 HB2 ALA A 43 12.270 2.838 0.392 1.00 15.12 H new ATOM 0 HB3 ALA A 43 11.044 4.086 0.717 1.00 15.12 H new ATOM 671 N SER A 44 8.308 3.181 1.746 1.00 64.00 N ATOM 672 CA SER A 44 7.215 3.627 2.631 1.00 54.51 C ATOM 673 C SER A 44 6.221 2.494 2.941 1.00 71.12 C ATOM 674 O SER A 44 5.941 2.187 4.104 1.00 52.34 O ATOM 675 CB SER A 44 6.466 4.799 1.983 1.00 4.34 C ATOM 676 OG SER A 44 5.344 5.189 2.757 1.00 3.13 O ATOM 0 H SER A 44 8.202 3.473 0.775 1.00 64.00 H new ATOM 0 HA SER A 44 7.666 3.942 3.572 1.00 54.51 H new ATOM 0 HB2 SER A 44 7.143 5.646 1.868 1.00 4.34 H new ATOM 0 HB3 SER A 44 6.139 4.515 0.983 1.00 4.34 H new ATOM 0 HG SER A 44 4.553 5.247 2.181 1.00 3.13 H new ATOM 682 N LEU A 45 5.694 1.868 1.890 1.00 54.52 N ATOM 683 CA LEU A 45 4.701 0.792 2.028 1.00 4.01 C ATOM 684 C LEU A 45 5.339 -0.508 2.550 1.00 44.32 C ATOM 685 O LEU A 45 4.636 -1.456 2.903 1.00 51.42 O ATOM 686 CB LEU A 45 4.032 0.533 0.669 1.00 23.14 C ATOM 687 CG LEU A 45 3.394 1.763 0.000 1.00 62.12 C ATOM 688 CD1 LEU A 45 2.842 1.405 -1.376 1.00 51.23 C ATOM 689 CD2 LEU A 45 2.300 2.356 0.881 1.00 54.25 C ATOM 0 H LEU A 45 5.938 2.086 0.924 1.00 54.52 H new ATOM 0 HA LEU A 45 3.956 1.113 2.756 1.00 4.01 H new ATOM 0 HB2 LEU A 45 4.777 0.117 -0.010 1.00 23.14 H new ATOM 0 HB3 LEU A 45 3.262 -0.227 0.802 1.00 23.14 H new ATOM 0 HG LEU A 45 4.171 2.517 -0.129 1.00 62.12 H new ATOM 0 HD11 LEU A 45 2.396 2.290 -1.830 1.00 51.23 H new ATOM 0 HD12 LEU A 45 3.651 1.041 -2.009 1.00 51.23 H new ATOM 0 HD13 LEU A 45 2.084 0.628 -1.273 1.00 51.23 H new ATOM 0 HD21 LEU A 45 1.865 3.224 0.386 1.00 54.25 H new ATOM 0 HD22 LEU A 45 1.525 1.609 1.051 1.00 54.25 H new ATOM 0 HD23 LEU A 45 2.727 2.660 1.837 1.00 54.25 H new ATOM 701 N LYS A 46 6.672 -0.529 2.588 1.00 2.34 N ATOM 702 CA LYS A 46 7.454 -1.691 3.036 1.00 54.12 C ATOM 703 C LYS A 46 6.934 -2.288 4.357 1.00 71.43 C ATOM 704 O LYS A 46 6.658 -3.484 4.445 1.00 22.22 O ATOM 705 CB LYS A 46 8.923 -1.266 3.196 1.00 72.53 C ATOM 706 CG LYS A 46 9.866 -2.396 3.584 1.00 25.23 C ATOM 707 CD LYS A 46 11.311 -1.915 3.663 1.00 2.30 C ATOM 708 CE LYS A 46 12.269 -3.038 4.031 1.00 11.33 C ATOM 709 NZ LYS A 46 13.677 -2.566 4.069 1.00 71.14 N ATOM 0 H LYS A 46 7.248 0.265 2.307 1.00 2.34 H new ATOM 0 HA LYS A 46 7.355 -2.471 2.281 1.00 54.12 H new ATOM 0 HB2 LYS A 46 9.266 -0.829 2.258 1.00 72.53 H new ATOM 0 HB3 LYS A 46 8.982 -0.484 3.953 1.00 72.53 H new ATOM 0 HG2 LYS A 46 9.565 -2.808 4.547 1.00 25.23 H new ATOM 0 HG3 LYS A 46 9.789 -3.202 2.855 1.00 25.23 H new ATOM 0 HD2 LYS A 46 11.604 -1.489 2.703 1.00 2.30 H new ATOM 0 HD3 LYS A 46 11.387 -1.117 4.402 1.00 2.30 H new ATOM 0 HE2 LYS A 46 11.995 -3.446 5.004 1.00 11.33 H new ATOM 0 HE3 LYS A 46 12.176 -3.848 3.308 1.00 11.33 H new ATOM 0 HZ1 LYS A 46 14.302 -3.358 4.323 1.00 71.14 H new ATOM 0 HZ2 LYS A 46 13.946 -2.199 3.134 1.00 71.14 H new ATOM 0 HZ3 LYS A 46 13.771 -1.810 4.777 1.00 71.14 H new ATOM 723 N ASP A 47 6.795 -1.446 5.379 1.00 15.23 N ATOM 724 CA ASP A 47 6.353 -1.899 6.704 1.00 70.41 C ATOM 725 C ASP A 47 4.857 -2.276 6.720 1.00 35.31 C ATOM 726 O ASP A 47 4.346 -2.783 7.720 1.00 74.41 O ATOM 727 CB ASP A 47 6.641 -0.810 7.744 1.00 12.13 C ATOM 728 CG ASP A 47 8.107 -0.411 7.754 1.00 74.11 C ATOM 729 OD1 ASP A 47 8.926 -1.144 8.347 1.00 61.52 O ATOM 730 OD2 ASP A 47 8.449 0.633 7.154 1.00 20.11 O ATOM 0 H ASP A 47 6.981 -0.445 5.319 1.00 15.23 H new ATOM 0 HA ASP A 47 6.913 -2.801 6.953 1.00 70.41 H new ATOM 0 HB2 ASP A 47 6.028 0.066 7.532 1.00 12.13 H new ATOM 0 HB3 ASP A 47 6.355 -1.168 8.733 1.00 12.13 H new ATOM 735 N GLY A 48 4.155 -2.009 5.617 1.00 1.31 N ATOM 736 CA GLY A 48 2.751 -2.401 5.491 1.00 53.41 C ATOM 737 C GLY A 48 1.767 -1.461 6.194 1.00 75.41 C ATOM 738 O GLY A 48 0.590 -1.404 5.830 1.00 10.55 O ATOM 0 H GLY A 48 4.534 -1.526 4.803 1.00 1.31 H new ATOM 0 HA2 GLY A 48 2.494 -2.451 4.433 1.00 53.41 H new ATOM 0 HA3 GLY A 48 2.629 -3.405 5.897 1.00 53.41 H new ATOM 742 N VAL A 49 2.246 -0.722 7.193 1.00 41.51 N ATOM 743 CA VAL A 49 1.384 0.156 7.995 1.00 33.53 C ATOM 744 C VAL A 49 0.657 1.205 7.130 1.00 51.21 C ATOM 745 O VAL A 49 -0.540 1.449 7.309 1.00 33.11 O ATOM 746 CB VAL A 49 2.190 0.875 9.106 1.00 75.33 C ATOM 747 CG1 VAL A 49 1.266 1.675 10.025 1.00 55.21 C ATOM 748 CG2 VAL A 49 3.018 -0.131 9.908 1.00 4.34 C ATOM 0 H VAL A 49 3.228 -0.711 7.470 1.00 41.51 H new ATOM 0 HA VAL A 49 0.635 -0.488 8.455 1.00 33.53 H new ATOM 0 HB VAL A 49 2.874 1.576 8.628 1.00 75.33 H new ATOM 0 HG11 VAL A 49 1.858 2.169 10.795 1.00 55.21 H new ATOM 0 HG12 VAL A 49 0.732 2.425 9.441 1.00 55.21 H new ATOM 0 HG13 VAL A 49 0.548 1.002 10.495 1.00 55.21 H new ATOM 0 HG21 VAL A 49 3.577 0.393 10.683 1.00 4.34 H new ATOM 0 HG22 VAL A 49 2.355 -0.862 10.370 1.00 4.34 H new ATOM 0 HG23 VAL A 49 3.714 -0.642 9.243 1.00 4.34 H new ATOM 758 N VAL A 50 1.378 1.824 6.192 1.00 45.00 N ATOM 759 CA VAL A 50 0.766 2.802 5.278 1.00 21.35 C ATOM 760 C VAL A 50 -0.326 2.145 4.411 1.00 50.12 C ATOM 761 O VAL A 50 -1.379 2.737 4.167 1.00 61.13 O ATOM 762 CB VAL A 50 1.821 3.479 4.361 1.00 43.13 C ATOM 763 CG1 VAL A 50 1.168 4.523 3.452 1.00 75.12 C ATOM 764 CG2 VAL A 50 2.937 4.113 5.193 1.00 21.11 C ATOM 0 H VAL A 50 2.375 1.671 6.043 1.00 45.00 H new ATOM 0 HA VAL A 50 0.312 3.571 5.903 1.00 21.35 H new ATOM 0 HB VAL A 50 2.261 2.707 3.730 1.00 43.13 H new ATOM 0 HG11 VAL A 50 1.928 4.982 2.820 1.00 75.12 H new ATOM 0 HG12 VAL A 50 0.418 4.041 2.825 1.00 75.12 H new ATOM 0 HG13 VAL A 50 0.692 5.290 4.063 1.00 75.12 H new ATOM 0 HG21 VAL A 50 3.664 4.581 4.530 1.00 21.11 H new ATOM 0 HG22 VAL A 50 2.513 4.867 5.856 1.00 21.11 H new ATOM 0 HG23 VAL A 50 3.430 3.343 5.787 1.00 21.11 H new ATOM 774 N LEU A 51 -0.074 0.909 3.969 1.00 0.44 N ATOM 775 CA LEU A 51 -1.064 0.142 3.198 1.00 61.40 C ATOM 776 C LEU A 51 -2.360 -0.056 3.996 1.00 44.14 C ATOM 777 O LEU A 51 -3.459 0.160 3.483 1.00 71.45 O ATOM 778 CB LEU A 51 -0.495 -1.230 2.806 1.00 44.21 C ATOM 779 CG LEU A 51 0.640 -1.213 1.772 1.00 22.04 C ATOM 780 CD1 LEU A 51 1.156 -2.628 1.526 1.00 0.33 C ATOM 781 CD2 LEU A 51 0.164 -0.579 0.466 1.00 63.41 C ATOM 0 H LEU A 51 0.805 0.417 4.130 1.00 0.44 H new ATOM 0 HA LEU A 51 -1.291 0.713 2.298 1.00 61.40 H new ATOM 0 HB2 LEU A 51 -0.132 -1.723 3.708 1.00 44.21 H new ATOM 0 HB3 LEU A 51 -1.308 -1.841 2.415 1.00 44.21 H new ATOM 0 HG LEU A 51 1.459 -0.611 2.166 1.00 22.04 H new ATOM 0 HD11 LEU A 51 1.960 -2.599 0.791 1.00 0.33 H new ATOM 0 HD12 LEU A 51 1.533 -3.045 2.460 1.00 0.33 H new ATOM 0 HD13 LEU A 51 0.344 -3.251 1.152 1.00 0.33 H new ATOM 0 HD21 LEU A 51 0.981 -0.575 -0.256 1.00 63.41 H new ATOM 0 HD22 LEU A 51 -0.671 -1.154 0.066 1.00 63.41 H new ATOM 0 HD23 LEU A 51 -0.158 0.445 0.655 1.00 63.41 H new ATOM 793 N CYS A 52 -2.220 -0.470 5.254 1.00 64.21 N ATOM 794 CA CYS A 52 -3.374 -0.673 6.134 1.00 73.24 C ATOM 795 C CYS A 52 -4.179 0.624 6.300 1.00 2.33 C ATOM 796 O CYS A 52 -5.405 0.617 6.208 1.00 21.22 O ATOM 797 CB CYS A 52 -2.915 -1.200 7.497 1.00 35.43 C ATOM 798 SG CYS A 52 -2.053 -2.789 7.408 1.00 2.21 S ATOM 0 H CYS A 52 -1.320 -0.672 5.689 1.00 64.21 H new ATOM 0 HA CYS A 52 -4.027 -1.414 5.673 1.00 73.24 H new ATOM 0 HB2 CYS A 52 -2.256 -0.464 7.958 1.00 35.43 H new ATOM 0 HB3 CYS A 52 -3.783 -1.303 8.148 1.00 35.43 H new ATOM 0 HG CYS A 52 -0.917 -2.633 6.795 1.00 2.21 H new ATOM 804 N ARG A 53 -3.481 1.737 6.536 1.00 21.23 N ATOM 805 CA ARG A 53 -4.124 3.056 6.576 1.00 73.04 C ATOM 806 C ARG A 53 -4.882 3.346 5.270 1.00 53.12 C ATOM 807 O ARG A 53 -6.034 3.784 5.290 1.00 24.31 O ATOM 808 CB ARG A 53 -3.085 4.161 6.824 1.00 23.54 C ATOM 809 CG ARG A 53 -2.719 4.357 8.293 1.00 41.00 C ATOM 810 CD ARG A 53 -1.683 5.465 8.472 1.00 32.43 C ATOM 811 NE ARG A 53 -1.671 5.981 9.839 1.00 22.44 N ATOM 812 CZ ARG A 53 -0.820 5.629 10.761 1.00 51.34 C ATOM 813 NH1 ARG A 53 0.108 4.760 10.518 1.00 45.42 N ATOM 814 NH2 ARG A 53 -0.908 6.142 11.940 1.00 64.15 N ATOM 0 H ARG A 53 -2.475 1.754 6.702 1.00 21.23 H new ATOM 0 HA ARG A 53 -4.839 3.046 7.399 1.00 73.04 H new ATOM 0 HB2 ARG A 53 -2.180 3.926 6.264 1.00 23.54 H new ATOM 0 HB3 ARG A 53 -3.469 5.101 6.428 1.00 23.54 H new ATOM 0 HG2 ARG A 53 -3.616 4.601 8.862 1.00 41.00 H new ATOM 0 HG3 ARG A 53 -2.328 3.424 8.699 1.00 41.00 H new ATOM 0 HD2 ARG A 53 -0.694 5.082 8.219 1.00 32.43 H new ATOM 0 HD3 ARG A 53 -1.897 6.278 7.778 1.00 32.43 H new ATOM 0 HE ARG A 53 -2.382 6.668 10.090 1.00 22.44 H new ATOM 0 HH11 ARG A 53 0.182 4.338 9.592 1.00 45.42 H new ATOM 0 HH12 ARG A 53 0.765 4.497 11.252 1.00 45.42 H new ATOM 0 HH21 ARG A 53 -1.641 6.820 12.148 1.00 64.15 H new ATOM 0 HH22 ARG A 53 -0.245 5.870 12.665 1.00 64.15 H new ATOM 828 N LEU A 54 -4.219 3.096 4.143 1.00 23.21 N ATOM 829 CA LEU A 54 -4.806 3.315 2.815 1.00 41.13 C ATOM 830 C LEU A 54 -6.139 2.565 2.653 1.00 53.24 C ATOM 831 O LEU A 54 -7.157 3.158 2.290 1.00 12.40 O ATOM 832 CB LEU A 54 -3.807 2.868 1.736 1.00 25.33 C ATOM 833 CG LEU A 54 -4.302 2.967 0.284 1.00 34.14 C ATOM 834 CD1 LEU A 54 -4.716 4.395 -0.054 1.00 0.14 C ATOM 835 CD2 LEU A 54 -3.227 2.471 -0.681 1.00 51.14 C ATOM 0 H LEU A 54 -3.264 2.738 4.120 1.00 23.21 H new ATOM 0 HA LEU A 54 -5.016 4.379 2.704 1.00 41.13 H new ATOM 0 HB2 LEU A 54 -2.903 3.469 1.833 1.00 25.33 H new ATOM 0 HB3 LEU A 54 -3.525 1.834 1.934 1.00 25.33 H new ATOM 0 HG LEU A 54 -5.180 2.330 0.178 1.00 34.14 H new ATOM 0 HD11 LEU A 54 -5.062 4.439 -1.087 1.00 0.14 H new ATOM 0 HD12 LEU A 54 -5.520 4.708 0.612 1.00 0.14 H new ATOM 0 HD13 LEU A 54 -3.862 5.061 0.071 1.00 0.14 H new ATOM 0 HD21 LEU A 54 -3.594 2.548 -1.705 1.00 51.14 H new ATOM 0 HD22 LEU A 54 -2.330 3.080 -0.570 1.00 51.14 H new ATOM 0 HD23 LEU A 54 -2.990 1.431 -0.458 1.00 51.14 H new ATOM 847 N LEU A 55 -6.128 1.264 2.937 1.00 11.22 N ATOM 848 CA LEU A 55 -7.332 0.437 2.808 1.00 3.20 C ATOM 849 C LEU A 55 -8.430 0.883 3.790 1.00 64.12 C ATOM 850 O LEU A 55 -9.610 0.864 3.454 1.00 71.13 O ATOM 851 CB LEU A 55 -6.984 -1.046 3.026 1.00 14.22 C ATOM 852 CG LEU A 55 -8.134 -2.043 2.784 1.00 61.32 C ATOM 853 CD1 LEU A 55 -8.692 -1.892 1.370 1.00 31.13 C ATOM 854 CD2 LEU A 55 -7.662 -3.478 3.025 1.00 24.23 C ATOM 0 H LEU A 55 -5.302 0.758 3.257 1.00 11.22 H new ATOM 0 HA LEU A 55 -7.721 0.565 1.798 1.00 3.20 H new ATOM 0 HB2 LEU A 55 -6.156 -1.307 2.367 1.00 14.22 H new ATOM 0 HB3 LEU A 55 -6.628 -1.171 4.049 1.00 14.22 H new ATOM 0 HG LEU A 55 -8.933 -1.820 3.492 1.00 61.32 H new ATOM 0 HD11 LEU A 55 -9.503 -2.605 1.221 1.00 31.13 H new ATOM 0 HD12 LEU A 55 -9.070 -0.879 1.234 1.00 31.13 H new ATOM 0 HD13 LEU A 55 -7.902 -2.084 0.644 1.00 31.13 H new ATOM 0 HD21 LEU A 55 -8.488 -4.167 2.849 1.00 24.23 H new ATOM 0 HD22 LEU A 55 -6.844 -3.711 2.344 1.00 24.23 H new ATOM 0 HD23 LEU A 55 -7.318 -3.580 4.054 1.00 24.23 H new ATOM 866 N GLU A 56 -8.034 1.300 4.992 1.00 54.52 N ATOM 867 CA GLU A 56 -8.992 1.749 6.014 1.00 64.01 C ATOM 868 C GLU A 56 -9.671 3.082 5.642 1.00 51.02 C ATOM 869 O GLU A 56 -10.772 3.373 6.108 1.00 64.31 O ATOM 870 CB GLU A 56 -8.299 1.872 7.380 1.00 53.12 C ATOM 871 CG GLU A 56 -7.947 0.530 8.016 1.00 30.32 C ATOM 872 CD GLU A 56 -9.177 -0.285 8.388 1.00 33.33 C ATOM 873 OE1 GLU A 56 -9.745 -0.046 9.475 1.00 72.13 O ATOM 874 OE2 GLU A 56 -9.590 -1.157 7.597 1.00 44.21 O ATOM 0 H GLU A 56 -7.058 1.338 5.286 1.00 54.52 H new ATOM 0 HA GLU A 56 -9.775 0.993 6.070 1.00 64.01 H new ATOM 0 HB2 GLU A 56 -7.387 2.458 7.263 1.00 53.12 H new ATOM 0 HB3 GLU A 56 -8.949 2.425 8.058 1.00 53.12 H new ATOM 0 HG2 GLU A 56 -7.331 -0.045 7.324 1.00 30.32 H new ATOM 0 HG3 GLU A 56 -7.347 0.702 8.909 1.00 30.32 H new ATOM 881 N ARG A 57 -9.007 3.899 4.821 1.00 55.33 N ATOM 882 CA ARG A 57 -9.616 5.145 4.324 1.00 23.01 C ATOM 883 C ARG A 57 -10.732 4.843 3.314 1.00 72.03 C ATOM 884 O ARG A 57 -11.829 5.400 3.387 1.00 62.00 O ATOM 885 CB ARG A 57 -8.558 6.045 3.669 1.00 74.31 C ATOM 886 CG ARG A 57 -7.455 6.499 4.621 1.00 1.40 C ATOM 887 CD ARG A 57 -8.000 7.319 5.788 1.00 22.34 C ATOM 888 NE ARG A 57 -8.642 8.554 5.348 1.00 33.44 N ATOM 889 CZ ARG A 57 -9.113 9.462 6.158 1.00 35.21 C ATOM 890 NH1 ARG A 57 -9.024 9.315 7.442 1.00 40.34 N ATOM 891 NH2 ARG A 57 -9.674 10.519 5.678 1.00 11.21 N ATOM 0 H ARG A 57 -8.059 3.728 4.487 1.00 55.33 H new ATOM 0 HA ARG A 57 -10.046 5.667 5.179 1.00 23.01 H new ATOM 0 HB2 ARG A 57 -8.106 5.509 2.835 1.00 74.31 H new ATOM 0 HB3 ARG A 57 -9.050 6.924 3.254 1.00 74.31 H new ATOM 0 HG2 ARG A 57 -6.929 5.626 5.007 1.00 1.40 H new ATOM 0 HG3 ARG A 57 -6.725 7.093 4.071 1.00 1.40 H new ATOM 0 HD2 ARG A 57 -8.718 6.718 6.347 1.00 22.34 H new ATOM 0 HD3 ARG A 57 -7.186 7.559 6.471 1.00 22.34 H new ATOM 0 HE ARG A 57 -8.728 8.717 4.345 1.00 33.44 H new ATOM 0 HH11 ARG A 57 -8.582 8.482 7.831 1.00 40.34 H new ATOM 0 HH12 ARG A 57 -9.396 10.032 8.064 1.00 40.34 H new ATOM 0 HH21 ARG A 57 -9.748 10.643 4.668 1.00 11.21 H new ATOM 0 HH22 ARG A 57 -10.043 11.231 6.308 1.00 11.21 H new ATOM 905 N LEU A 58 -10.435 3.953 2.374 1.00 34.33 N ATOM 906 CA LEU A 58 -11.387 3.565 1.330 1.00 41.24 C ATOM 907 C LEU A 58 -12.474 2.632 1.894 1.00 51.14 C ATOM 908 O LEU A 58 -13.673 2.910 1.786 1.00 43.34 O ATOM 909 CB LEU A 58 -10.633 2.874 0.186 1.00 2.15 C ATOM 910 CG LEU A 58 -9.467 3.686 -0.410 1.00 21.22 C ATOM 911 CD1 LEU A 58 -8.683 2.853 -1.419 1.00 63.31 C ATOM 912 CD2 LEU A 58 -9.979 4.971 -1.055 1.00 41.23 C ATOM 0 H LEU A 58 -9.534 3.480 2.311 1.00 34.33 H new ATOM 0 HA LEU A 58 -11.880 4.461 0.953 1.00 41.24 H new ATOM 0 HB2 LEU A 58 -10.245 1.923 0.549 1.00 2.15 H new ATOM 0 HB3 LEU A 58 -11.341 2.646 -0.610 1.00 2.15 H new ATOM 0 HG LEU A 58 -8.793 3.956 0.403 1.00 21.22 H new ATOM 0 HD11 LEU A 58 -7.865 3.448 -1.825 1.00 63.31 H new ATOM 0 HD12 LEU A 58 -8.278 1.970 -0.925 1.00 63.31 H new ATOM 0 HD13 LEU A 58 -9.345 2.545 -2.229 1.00 63.31 H new ATOM 0 HD21 LEU A 58 -9.140 5.529 -1.470 1.00 41.23 H new ATOM 0 HD22 LEU A 58 -10.680 4.724 -1.852 1.00 41.23 H new ATOM 0 HD23 LEU A 58 -10.484 5.579 -0.304 1.00 41.23 H new ATOM 924 N LEU A 59 -12.039 1.524 2.489 1.00 23.10 N ATOM 925 CA LEU A 59 -12.944 0.556 3.123 1.00 33.41 C ATOM 926 C LEU A 59 -12.636 0.429 4.631 1.00 61.03 C ATOM 927 O LEU A 59 -11.831 -0.411 5.038 1.00 23.01 O ATOM 928 CB LEU A 59 -12.805 -0.816 2.442 1.00 3.50 C ATOM 929 CG LEU A 59 -13.040 -0.834 0.919 1.00 62.52 C ATOM 930 CD1 LEU A 59 -12.768 -2.225 0.351 1.00 0.40 C ATOM 931 CD2 LEU A 59 -14.460 -0.383 0.580 1.00 65.41 C ATOM 0 H LEU A 59 -11.053 1.268 2.548 1.00 23.10 H new ATOM 0 HA LEU A 59 -13.968 0.912 3.008 1.00 33.41 H new ATOM 0 HB2 LEU A 59 -11.804 -1.200 2.641 1.00 3.50 H new ATOM 0 HB3 LEU A 59 -13.509 -1.505 2.908 1.00 3.50 H new ATOM 0 HG LEU A 59 -12.344 -0.132 0.460 1.00 62.52 H new ATOM 0 HD11 LEU A 59 -12.939 -2.218 -0.725 1.00 0.40 H new ATOM 0 HD12 LEU A 59 -11.734 -2.504 0.552 1.00 0.40 H new ATOM 0 HD13 LEU A 59 -13.437 -2.947 0.820 1.00 0.40 H new ATOM 0 HD21 LEU A 59 -14.600 -0.405 -0.501 1.00 65.41 H new ATOM 0 HD22 LEU A 59 -15.177 -1.054 1.053 1.00 65.41 H new ATOM 0 HD23 LEU A 59 -14.617 0.632 0.946 1.00 65.41 H new ATOM 943 N PRO A 60 -13.262 1.269 5.481 1.00 73.02 N ATOM 944 CA PRO A 60 -12.976 1.290 6.930 1.00 4.11 C ATOM 945 C PRO A 60 -13.424 0.012 7.667 1.00 44.12 C ATOM 946 O PRO A 60 -14.597 -0.375 7.623 1.00 54.31 O ATOM 947 CB PRO A 60 -13.760 2.512 7.429 1.00 23.31 C ATOM 948 CG PRO A 60 -14.852 2.701 6.432 1.00 1.13 C ATOM 949 CD PRO A 60 -14.286 2.267 5.107 1.00 52.34 C ATOM 0 HA PRO A 60 -11.904 1.341 7.122 1.00 4.11 H new ATOM 0 HB2 PRO A 60 -14.162 2.342 8.428 1.00 23.31 H new ATOM 0 HB3 PRO A 60 -13.122 3.394 7.488 1.00 23.31 H new ATOM 0 HG2 PRO A 60 -15.727 2.107 6.695 1.00 1.13 H new ATOM 0 HG3 PRO A 60 -15.172 3.742 6.397 1.00 1.13 H new ATOM 0 HD2 PRO A 60 -15.053 1.834 4.465 1.00 52.34 H new ATOM 0 HD3 PRO A 60 -13.850 3.105 4.563 1.00 52.34 H new ATOM 957 N GLY A 61 -12.482 -0.635 8.354 1.00 60.52 N ATOM 958 CA GLY A 61 -12.793 -1.844 9.112 1.00 23.52 C ATOM 959 C GLY A 61 -12.515 -3.129 8.337 1.00 43.45 C ATOM 960 O GLY A 61 -13.077 -4.183 8.642 1.00 73.22 O ATOM 0 H GLY A 61 -11.505 -0.344 8.400 1.00 60.52 H new ATOM 0 HA2 GLY A 61 -12.208 -1.849 10.032 1.00 23.52 H new ATOM 0 HA3 GLY A 61 -13.843 -1.823 9.402 1.00 23.52 H new ATOM 964 N THR A 62 -11.648 -3.047 7.335 1.00 1.14 N ATOM 965 CA THR A 62 -11.296 -4.212 6.514 1.00 55.43 C ATOM 966 C THR A 62 -10.009 -4.878 7.021 1.00 54.43 C ATOM 967 O THR A 62 -9.872 -6.104 6.980 1.00 51.40 O ATOM 968 CB THR A 62 -11.130 -3.826 5.026 1.00 50.11 C ATOM 969 OG1 THR A 62 -12.312 -3.157 4.561 1.00 34.03 O ATOM 970 CG2 THR A 62 -10.872 -5.052 4.157 1.00 23.30 C ATOM 0 H THR A 62 -11.172 -2.186 7.066 1.00 1.14 H new ATOM 0 HA THR A 62 -12.119 -4.922 6.599 1.00 55.43 H new ATOM 0 HB THR A 62 -10.269 -3.162 4.949 1.00 50.11 H new ATOM 0 HG1 THR A 62 -12.217 -2.191 4.698 1.00 34.03 H new ATOM 0 HG21 THR A 62 -10.760 -4.744 3.117 1.00 23.30 H new ATOM 0 HG22 THR A 62 -9.960 -5.548 4.489 1.00 23.30 H new ATOM 0 HG23 THR A 62 -11.711 -5.742 4.243 1.00 23.30 H new ATOM 978 N ILE A 63 -9.070 -4.068 7.509 1.00 13.24 N ATOM 979 CA ILE A 63 -7.832 -4.586 8.103 1.00 42.25 C ATOM 980 C ILE A 63 -8.116 -5.252 9.461 1.00 42.11 C ATOM 981 O ILE A 63 -8.346 -4.576 10.466 1.00 61.30 O ATOM 982 CB ILE A 63 -6.777 -3.462 8.287 1.00 5.40 C ATOM 983 CG1 ILE A 63 -6.373 -2.869 6.927 1.00 55.50 C ATOM 984 CG2 ILE A 63 -5.545 -3.984 9.030 1.00 41.40 C ATOM 985 CD1 ILE A 63 -5.675 -3.853 6.009 1.00 75.33 C ATOM 0 H ILE A 63 -9.140 -3.050 7.506 1.00 13.24 H new ATOM 0 HA ILE A 63 -7.430 -5.329 7.415 1.00 42.25 H new ATOM 0 HB ILE A 63 -7.228 -2.673 8.888 1.00 5.40 H new ATOM 0 HG12 ILE A 63 -7.265 -2.491 6.427 1.00 55.50 H new ATOM 0 HG13 ILE A 63 -5.716 -2.015 7.095 1.00 55.50 H new ATOM 0 HG21 ILE A 63 -4.821 -3.177 9.146 1.00 41.40 H new ATOM 0 HG22 ILE A 63 -5.841 -4.350 10.013 1.00 41.40 H new ATOM 0 HG23 ILE A 63 -5.094 -4.797 8.461 1.00 41.40 H new ATOM 0 HD11 ILE A 63 -5.422 -3.359 5.071 1.00 75.33 H new ATOM 0 HD12 ILE A 63 -4.764 -4.213 6.487 1.00 75.33 H new ATOM 0 HD13 ILE A 63 -6.336 -4.696 5.809 1.00 75.33 H new ATOM 997 N GLU A 64 -8.100 -6.584 9.477 1.00 12.35 N ATOM 998 CA GLU A 64 -8.435 -7.353 10.682 1.00 21.13 C ATOM 999 C GLU A 64 -7.466 -7.061 11.840 1.00 40.40 C ATOM 1000 O GLU A 64 -7.890 -6.687 12.936 1.00 13.30 O ATOM 1001 CB GLU A 64 -8.446 -8.850 10.352 1.00 31.34 C ATOM 1002 CG GLU A 64 -8.823 -9.749 11.524 1.00 24.34 C ATOM 1003 CD GLU A 64 -9.185 -11.157 11.079 1.00 44.02 C ATOM 1004 OE1 GLU A 64 -8.267 -11.973 10.852 1.00 2.31 O ATOM 1005 OE2 GLU A 64 -10.394 -11.447 10.942 1.00 44.11 O ATOM 0 H GLU A 64 -7.858 -7.157 8.669 1.00 12.35 H new ATOM 0 HA GLU A 64 -9.428 -7.046 11.012 1.00 21.13 H new ATOM 0 HB2 GLU A 64 -9.147 -9.025 9.535 1.00 31.34 H new ATOM 0 HB3 GLU A 64 -7.458 -9.138 9.992 1.00 31.34 H new ATOM 0 HG2 GLU A 64 -7.990 -9.795 12.226 1.00 24.34 H new ATOM 0 HG3 GLU A 64 -9.666 -9.311 12.058 1.00 24.34 H new ATOM 1012 N LYS A 65 -6.167 -7.224 11.594 1.00 52.11 N ATOM 1013 CA LYS A 65 -5.151 -6.956 12.619 1.00 0.11 C ATOM 1014 C LYS A 65 -3.840 -6.443 11.998 1.00 61.35 C ATOM 1015 O LYS A 65 -3.086 -7.205 11.395 1.00 35.31 O ATOM 1016 CB LYS A 65 -4.886 -8.219 13.457 1.00 35.15 C ATOM 1017 CG LYS A 65 -3.806 -8.044 14.528 1.00 0.41 C ATOM 1018 CD LYS A 65 -4.135 -6.915 15.504 1.00 55.24 C ATOM 1019 CE LYS A 65 -3.047 -6.748 16.558 1.00 45.14 C ATOM 1020 NZ LYS A 65 -3.323 -5.600 17.457 1.00 75.13 N ATOM 0 H LYS A 65 -5.791 -7.539 10.699 1.00 52.11 H new ATOM 0 HA LYS A 65 -5.539 -6.173 13.270 1.00 0.11 H new ATOM 0 HB2 LYS A 65 -5.815 -8.523 13.939 1.00 35.15 H new ATOM 0 HB3 LYS A 65 -4.593 -9.030 12.790 1.00 35.15 H new ATOM 0 HG2 LYS A 65 -3.691 -8.977 15.080 1.00 0.41 H new ATOM 0 HG3 LYS A 65 -2.850 -7.838 14.047 1.00 0.41 H new ATOM 0 HD2 LYS A 65 -4.256 -5.982 14.954 1.00 55.24 H new ATOM 0 HD3 LYS A 65 -5.087 -7.122 15.993 1.00 55.24 H new ATOM 0 HE2 LYS A 65 -2.969 -7.661 17.148 1.00 45.14 H new ATOM 0 HE3 LYS A 65 -2.085 -6.602 16.067 1.00 45.14 H new ATOM 0 HZ1 LYS A 65 -2.561 -5.519 18.160 1.00 75.13 H new ATOM 0 HZ2 LYS A 65 -3.372 -4.725 16.897 1.00 75.13 H new ATOM 0 HZ3 LYS A 65 -4.229 -5.751 17.944 1.00 75.13 H new ATOM 1034 N VAL A 66 -3.590 -5.142 12.144 1.00 33.41 N ATOM 1035 CA VAL A 66 -2.332 -4.537 11.694 1.00 55.04 C ATOM 1036 C VAL A 66 -1.365 -4.336 12.867 1.00 44.53 C ATOM 1037 O VAL A 66 -1.785 -4.080 13.999 1.00 70.31 O ATOM 1038 CB VAL A 66 -2.574 -3.167 11.007 1.00 64.22 C ATOM 1039 CG1 VAL A 66 -3.225 -2.176 11.972 1.00 14.32 C ATOM 1040 CG2 VAL A 66 -1.268 -2.596 10.446 1.00 62.35 C ATOM 0 H VAL A 66 -4.242 -4.484 12.571 1.00 33.41 H new ATOM 0 HA VAL A 66 -1.893 -5.227 10.973 1.00 55.04 H new ATOM 0 HB VAL A 66 -3.259 -3.329 10.175 1.00 64.22 H new ATOM 0 HG11 VAL A 66 -3.383 -1.224 11.464 1.00 14.32 H new ATOM 0 HG12 VAL A 66 -4.183 -2.572 12.308 1.00 14.32 H new ATOM 0 HG13 VAL A 66 -2.573 -2.024 12.832 1.00 14.32 H new ATOM 0 HG21 VAL A 66 -1.466 -1.636 9.970 1.00 62.35 H new ATOM 0 HG22 VAL A 66 -0.553 -2.459 11.257 1.00 62.35 H new ATOM 0 HG23 VAL A 66 -0.855 -3.287 9.711 1.00 62.35 H new ATOM 1050 N TYR A 67 -0.073 -4.473 12.597 1.00 41.22 N ATOM 1051 CA TYR A 67 0.963 -4.194 13.591 1.00 62.53 C ATOM 1052 C TYR A 67 1.682 -2.880 13.247 1.00 23.44 C ATOM 1053 O TYR A 67 2.611 -2.868 12.434 1.00 52.01 O ATOM 1054 CB TYR A 67 1.970 -5.352 13.648 1.00 4.12 C ATOM 1055 CG TYR A 67 1.324 -6.712 13.832 1.00 45.10 C ATOM 1056 CD1 TYR A 67 0.753 -7.075 15.048 1.00 42.04 C ATOM 1057 CD2 TYR A 67 1.279 -7.632 12.788 1.00 62.34 C ATOM 1058 CE1 TYR A 67 0.161 -8.313 15.217 1.00 3.20 C ATOM 1059 CE2 TYR A 67 0.688 -8.869 12.950 1.00 72.53 C ATOM 1060 CZ TYR A 67 0.129 -9.206 14.166 1.00 4.41 C ATOM 1061 OH TYR A 67 -0.462 -10.441 14.333 1.00 20.21 O ATOM 0 H TYR A 67 0.287 -4.778 11.693 1.00 41.22 H new ATOM 0 HA TYR A 67 0.494 -4.093 14.570 1.00 62.53 H new ATOM 0 HB2 TYR A 67 2.555 -5.359 12.728 1.00 4.12 H new ATOM 0 HB3 TYR A 67 2.667 -5.176 14.468 1.00 4.12 H new ATOM 0 HD1 TYR A 67 0.773 -6.378 15.873 1.00 42.04 H new ATOM 0 HD2 TYR A 67 1.714 -7.373 11.834 1.00 62.34 H new ATOM 0 HE1 TYR A 67 -0.275 -8.580 16.168 1.00 3.20 H new ATOM 0 HE2 TYR A 67 0.663 -9.570 12.129 1.00 72.53 H new ATOM 0 HH TYR A 67 -0.401 -10.949 13.497 1.00 20.21 H new ATOM 1071 N PRO A 68 1.246 -1.744 13.841 1.00 25.23 N ATOM 1072 CA PRO A 68 1.856 -0.425 13.578 1.00 51.33 C ATOM 1073 C PRO A 68 3.331 -0.365 13.999 1.00 60.01 C ATOM 1074 O PRO A 68 4.085 0.497 13.543 1.00 35.44 O ATOM 1075 CB PRO A 68 1.005 0.543 14.421 1.00 61.21 C ATOM 1076 CG PRO A 68 0.361 -0.317 15.458 1.00 1.14 C ATOM 1077 CD PRO A 68 0.125 -1.647 14.795 1.00 74.44 C ATOM 0 HA PRO A 68 1.861 -0.185 12.515 1.00 51.33 H new ATOM 0 HB2 PRO A 68 1.622 1.317 14.877 1.00 61.21 H new ATOM 0 HB3 PRO A 68 0.259 1.050 13.809 1.00 61.21 H new ATOM 0 HG2 PRO A 68 1.003 -0.424 16.332 1.00 1.14 H new ATOM 0 HG3 PRO A 68 -0.576 0.120 15.803 1.00 1.14 H new ATOM 0 HD2 PRO A 68 0.136 -2.465 15.515 1.00 74.44 H new ATOM 0 HD3 PRO A 68 -0.840 -1.681 14.289 1.00 74.44 H new ATOM 1085 N GLU A 69 3.734 -1.286 14.869 1.00 44.25 N ATOM 1086 CA GLU A 69 5.129 -1.395 15.309 1.00 53.20 C ATOM 1087 C GLU A 69 5.679 -2.813 15.058 1.00 65.14 C ATOM 1088 O GLU A 69 5.806 -3.620 15.981 1.00 24.25 O ATOM 1089 CB GLU A 69 5.239 -1.012 16.795 1.00 2.03 C ATOM 1090 CG GLU A 69 4.244 -1.743 17.698 1.00 60.33 C ATOM 1091 CD GLU A 69 4.306 -1.284 19.145 1.00 51.42 C ATOM 1092 OE1 GLU A 69 3.715 -0.231 19.464 1.00 65.31 O ATOM 1093 OE2 GLU A 69 4.946 -1.969 19.968 1.00 4.20 O ATOM 0 H GLU A 69 3.111 -1.976 15.289 1.00 44.25 H new ATOM 0 HA GLU A 69 5.736 -0.703 14.725 1.00 53.20 H new ATOM 0 HB2 GLU A 69 6.251 -1.223 17.141 1.00 2.03 H new ATOM 0 HB3 GLU A 69 5.085 0.062 16.896 1.00 2.03 H new ATOM 0 HG2 GLU A 69 3.235 -1.588 17.317 1.00 60.33 H new ATOM 0 HG3 GLU A 69 4.441 -2.814 17.654 1.00 60.33 H new ATOM 1100 N PRO A 70 5.997 -3.146 13.790 1.00 30.30 N ATOM 1101 CA PRO A 70 6.503 -4.478 13.429 1.00 3.42 C ATOM 1102 C PRO A 70 7.983 -4.666 13.798 1.00 22.33 C ATOM 1103 O PRO A 70 8.874 -4.090 13.170 1.00 71.31 O ATOM 1104 CB PRO A 70 6.300 -4.518 11.909 1.00 23.25 C ATOM 1105 CG PRO A 70 6.415 -3.094 11.473 1.00 24.20 C ATOM 1106 CD PRO A 70 5.890 -2.256 12.613 1.00 54.20 C ATOM 0 HA PRO A 70 5.989 -5.278 13.962 1.00 3.42 H new ATOM 0 HB2 PRO A 70 7.052 -5.142 11.425 1.00 23.25 H new ATOM 0 HB3 PRO A 70 5.326 -4.934 11.650 1.00 23.25 H new ATOM 0 HG2 PRO A 70 7.451 -2.839 11.248 1.00 24.20 H new ATOM 0 HG3 PRO A 70 5.839 -2.918 10.564 1.00 24.20 H new ATOM 0 HD2 PRO A 70 6.478 -1.348 12.745 1.00 54.20 H new ATOM 0 HD3 PRO A 70 4.860 -1.946 12.439 1.00 54.20 H new ATOM 1114 N ARG A 71 8.243 -5.466 14.832 1.00 61.11 N ATOM 1115 CA ARG A 71 9.614 -5.693 15.307 1.00 21.21 C ATOM 1116 C ARG A 71 10.270 -6.882 14.589 1.00 53.33 C ATOM 1117 O ARG A 71 11.498 -7.009 14.560 1.00 64.30 O ATOM 1118 CB ARG A 71 9.618 -5.917 16.825 1.00 60.43 C ATOM 1119 CG ARG A 71 8.988 -4.769 17.615 1.00 62.25 C ATOM 1120 CD ARG A 71 9.672 -3.440 17.314 1.00 51.21 C ATOM 1121 NE ARG A 71 9.009 -2.317 17.970 1.00 20.01 N ATOM 1122 CZ ARG A 71 8.879 -1.132 17.438 1.00 41.44 C ATOM 1123 NH1 ARG A 71 9.327 -0.894 16.245 1.00 60.51 N ATOM 1124 NH2 ARG A 71 8.298 -0.184 18.099 1.00 53.12 N ATOM 0 H ARG A 71 7.527 -5.968 15.357 1.00 61.11 H new ATOM 0 HA ARG A 71 10.200 -4.803 15.076 1.00 21.21 H new ATOM 0 HB2 ARG A 71 9.081 -6.839 17.049 1.00 60.43 H new ATOM 0 HB3 ARG A 71 10.646 -6.057 17.161 1.00 60.43 H new ATOM 0 HG2 ARG A 71 7.928 -4.697 17.371 1.00 62.25 H new ATOM 0 HG3 ARG A 71 9.056 -4.980 18.682 1.00 62.25 H new ATOM 0 HD2 ARG A 71 10.711 -3.486 17.639 1.00 51.21 H new ATOM 0 HD3 ARG A 71 9.682 -3.275 16.237 1.00 51.21 H new ATOM 0 HE ARG A 71 8.623 -2.468 18.902 1.00 20.01 H new ATOM 0 HH11 ARG A 71 9.785 -1.635 15.715 1.00 60.51 H new ATOM 0 HH12 ARG A 71 9.221 0.035 15.836 1.00 60.51 H new ATOM 0 HH21 ARG A 71 7.940 -0.362 19.038 1.00 53.12 H new ATOM 0 HH22 ARG A 71 8.197 0.741 17.682 1.00 53.12 H new ATOM 1138 N SER A 72 9.448 -7.751 14.010 1.00 11.51 N ATOM 1139 CA SER A 72 9.944 -8.894 13.226 1.00 75.43 C ATOM 1140 C SER A 72 9.414 -8.854 11.788 1.00 43.11 C ATOM 1141 O SER A 72 8.304 -8.381 11.536 1.00 51.43 O ATOM 1142 CB SER A 72 9.542 -10.222 13.883 1.00 53.22 C ATOM 1143 OG SER A 72 10.095 -10.345 15.185 1.00 60.53 O ATOM 0 H SER A 72 8.431 -7.692 14.065 1.00 11.51 H new ATOM 0 HA SER A 72 11.031 -8.822 13.200 1.00 75.43 H new ATOM 0 HB2 SER A 72 8.455 -10.287 13.940 1.00 53.22 H new ATOM 0 HB3 SER A 72 9.879 -11.053 13.263 1.00 53.22 H new ATOM 0 HG SER A 72 9.820 -11.200 15.578 1.00 60.53 H new ATOM 1149 N GLU A 73 10.214 -9.376 10.856 1.00 74.23 N ATOM 1150 CA GLU A 73 9.862 -9.404 9.427 1.00 64.33 C ATOM 1151 C GLU A 73 8.451 -9.974 9.185 1.00 73.50 C ATOM 1152 O GLU A 73 7.683 -9.440 8.378 1.00 21.23 O ATOM 1153 CB GLU A 73 10.912 -10.223 8.659 1.00 32.04 C ATOM 1154 CG GLU A 73 10.637 -10.347 7.166 1.00 2.11 C ATOM 1155 CD GLU A 73 11.813 -10.933 6.399 1.00 54.11 C ATOM 1156 OE1 GLU A 73 12.779 -10.190 6.126 1.00 42.34 O ATOM 1157 OE2 GLU A 73 11.777 -12.135 6.066 1.00 71.20 O ATOM 0 H GLU A 73 11.122 -9.791 11.065 1.00 74.23 H new ATOM 0 HA GLU A 73 9.854 -8.377 9.062 1.00 64.33 H new ATOM 0 HB2 GLU A 73 11.890 -9.763 8.800 1.00 32.04 H new ATOM 0 HB3 GLU A 73 10.965 -11.222 9.092 1.00 32.04 H new ATOM 0 HG2 GLU A 73 9.760 -10.975 7.013 1.00 2.11 H new ATOM 0 HG3 GLU A 73 10.399 -9.363 6.762 1.00 2.11 H new ATOM 1164 N SER A 74 8.113 -11.048 9.900 1.00 23.32 N ATOM 1165 CA SER A 74 6.792 -11.694 9.783 1.00 63.22 C ATOM 1166 C SER A 74 5.637 -10.700 9.996 1.00 41.33 C ATOM 1167 O SER A 74 4.629 -10.742 9.288 1.00 33.21 O ATOM 1168 CB SER A 74 6.671 -12.837 10.800 1.00 22.44 C ATOM 1169 OG SER A 74 7.776 -13.724 10.713 1.00 61.24 O ATOM 0 H SER A 74 8.736 -11.496 10.572 1.00 23.32 H new ATOM 0 HA SER A 74 6.716 -12.085 8.768 1.00 63.22 H new ATOM 0 HB2 SER A 74 6.611 -12.425 11.807 1.00 22.44 H new ATOM 0 HB3 SER A 74 5.746 -13.386 10.624 1.00 22.44 H new ATOM 0 HG SER A 74 7.673 -14.441 11.373 1.00 61.24 H new ATOM 1175 N GLU A 75 5.790 -9.804 10.974 1.00 40.31 N ATOM 1176 CA GLU A 75 4.764 -8.794 11.272 1.00 13.43 C ATOM 1177 C GLU A 75 4.566 -7.839 10.086 1.00 15.30 C ATOM 1178 O GLU A 75 3.437 -7.585 9.663 1.00 13.13 O ATOM 1179 CB GLU A 75 5.145 -7.998 12.529 1.00 10.33 C ATOM 1180 CG GLU A 75 5.237 -8.846 13.792 1.00 2.31 C ATOM 1181 CD GLU A 75 5.669 -8.040 15.006 1.00 61.44 C ATOM 1182 OE1 GLU A 75 4.800 -7.443 15.671 1.00 75.33 O ATOM 1183 OE2 GLU A 75 6.884 -7.998 15.297 1.00 63.34 O ATOM 0 H GLU A 75 6.613 -9.755 11.574 1.00 40.31 H new ATOM 0 HA GLU A 75 3.824 -9.316 11.452 1.00 13.43 H new ATOM 0 HB2 GLU A 75 6.105 -7.509 12.361 1.00 10.33 H new ATOM 0 HB3 GLU A 75 4.409 -7.210 12.685 1.00 10.33 H new ATOM 0 HG2 GLU A 75 4.267 -9.303 13.990 1.00 2.31 H new ATOM 0 HG3 GLU A 75 5.945 -9.659 13.629 1.00 2.31 H new ATOM 1190 N CYS A 76 5.673 -7.329 9.548 1.00 11.44 N ATOM 1191 CA CYS A 76 5.633 -6.456 8.367 1.00 33.41 C ATOM 1192 C CYS A 76 4.881 -7.134 7.213 1.00 35.33 C ATOM 1193 O CYS A 76 3.985 -6.545 6.604 1.00 11.41 O ATOM 1194 CB CYS A 76 7.056 -6.112 7.914 1.00 22.50 C ATOM 1195 SG CYS A 76 8.103 -5.397 9.206 1.00 32.02 S ATOM 0 H CYS A 76 6.611 -7.503 9.909 1.00 11.44 H new ATOM 0 HA CYS A 76 5.108 -5.541 8.641 1.00 33.41 H new ATOM 0 HB2 CYS A 76 7.533 -7.017 7.537 1.00 22.50 H new ATOM 0 HB3 CYS A 76 6.999 -5.411 7.081 1.00 22.50 H new ATOM 0 HG CYS A 76 8.958 -4.579 8.668 1.00 32.02 H new ATOM 1201 N LEU A 77 5.247 -8.386 6.935 1.00 11.35 N ATOM 1202 CA LEU A 77 4.594 -9.181 5.887 1.00 55.24 C ATOM 1203 C LEU A 77 3.100 -9.397 6.186 1.00 11.12 C ATOM 1204 O LEU A 77 2.270 -9.408 5.278 1.00 15.24 O ATOM 1205 CB LEU A 77 5.305 -10.534 5.740 1.00 73.54 C ATOM 1206 CG LEU A 77 6.788 -10.455 5.334 1.00 30.52 C ATOM 1207 CD1 LEU A 77 7.433 -11.837 5.352 1.00 33.05 C ATOM 1208 CD2 LEU A 77 6.939 -9.808 3.958 1.00 63.33 C ATOM 0 H LEU A 77 5.997 -8.876 7.423 1.00 11.35 H new ATOM 0 HA LEU A 77 4.667 -8.628 4.951 1.00 55.24 H new ATOM 0 HB2 LEU A 77 5.232 -11.069 6.687 1.00 73.54 H new ATOM 0 HB3 LEU A 77 4.773 -11.127 4.997 1.00 73.54 H new ATOM 0 HG LEU A 77 7.304 -9.831 6.064 1.00 30.52 H new ATOM 0 HD11 LEU A 77 8.480 -11.754 5.061 1.00 33.05 H new ATOM 0 HD12 LEU A 77 7.367 -12.256 6.356 1.00 33.05 H new ATOM 0 HD13 LEU A 77 6.913 -12.490 4.651 1.00 33.05 H new ATOM 0 HD21 LEU A 77 7.995 -9.762 3.691 1.00 63.33 H new ATOM 0 HD22 LEU A 77 6.403 -10.400 3.217 1.00 63.33 H new ATOM 0 HD23 LEU A 77 6.527 -8.799 3.983 1.00 63.33 H new ATOM 1220 N SER A 78 2.766 -9.565 7.466 1.00 55.31 N ATOM 1221 CA SER A 78 1.366 -9.734 7.886 1.00 23.23 C ATOM 1222 C SER A 78 0.535 -8.481 7.589 1.00 1.35 C ATOM 1223 O SER A 78 -0.620 -8.576 7.168 1.00 20.44 O ATOM 1224 CB SER A 78 1.275 -10.067 9.382 1.00 1.33 C ATOM 1225 OG SER A 78 -0.078 -10.226 9.797 1.00 12.51 O ATOM 0 H SER A 78 3.440 -9.588 8.231 1.00 55.31 H new ATOM 0 HA SER A 78 0.959 -10.566 7.311 1.00 23.23 H new ATOM 0 HB2 SER A 78 1.830 -10.982 9.587 1.00 1.33 H new ATOM 0 HB3 SER A 78 1.744 -9.273 9.962 1.00 1.33 H new ATOM 0 HG SER A 78 -0.106 -10.736 10.633 1.00 12.51 H new ATOM 1231 N ASN A 79 1.122 -7.304 7.810 1.00 35.40 N ATOM 1232 CA ASN A 79 0.447 -6.035 7.502 1.00 30.12 C ATOM 1233 C ASN A 79 0.087 -5.949 6.009 1.00 52.43 C ATOM 1234 O ASN A 79 -1.047 -5.622 5.645 1.00 21.03 O ATOM 1235 CB ASN A 79 1.333 -4.846 7.887 1.00 4.25 C ATOM 1236 CG ASN A 79 1.700 -4.842 9.359 1.00 54.31 C ATOM 1237 OD1 ASN A 79 0.984 -5.381 10.192 1.00 3.02 O ATOM 1238 ND2 ASN A 79 2.812 -4.219 9.694 1.00 71.13 N ATOM 0 H ASN A 79 2.059 -7.199 8.199 1.00 35.40 H new ATOM 0 HA ASN A 79 -0.473 -5.999 8.086 1.00 30.12 H new ATOM 0 HB2 ASN A 79 2.244 -4.869 7.290 1.00 4.25 H new ATOM 0 HB3 ASN A 79 0.815 -3.918 7.643 1.00 4.25 H new ATOM 0 HD21 ASN A 79 3.098 -4.176 10.672 1.00 71.13 H new ATOM 0 HD22 ASN A 79 3.387 -3.780 8.975 1.00 71.13 H new ATOM 1245 N ILE A 80 1.065 -6.245 5.153 1.00 43.44 N ATOM 1246 CA ILE A 80 0.843 -6.291 3.703 1.00 12.32 C ATOM 1247 C ILE A 80 -0.187 -7.376 3.342 1.00 64.24 C ATOM 1248 O ILE A 80 -1.064 -7.167 2.503 1.00 20.04 O ATOM 1249 CB ILE A 80 2.168 -6.566 2.943 1.00 63.52 C ATOM 1250 CG1 ILE A 80 3.239 -5.534 3.339 1.00 33.12 C ATOM 1251 CG2 ILE A 80 1.935 -6.544 1.432 1.00 51.24 C ATOM 1252 CD1 ILE A 80 4.591 -5.770 2.692 1.00 30.14 C ATOM 0 H ILE A 80 2.021 -6.457 5.437 1.00 43.44 H new ATOM 0 HA ILE A 80 0.459 -5.317 3.401 1.00 12.32 H new ATOM 0 HB ILE A 80 2.525 -7.558 3.221 1.00 63.52 H new ATOM 0 HG12 ILE A 80 2.887 -4.538 3.069 1.00 33.12 H new ATOM 0 HG13 ILE A 80 3.359 -5.547 4.422 1.00 33.12 H new ATOM 0 HG21 ILE A 80 2.875 -6.739 0.916 1.00 51.24 H new ATOM 0 HG22 ILE A 80 1.209 -7.311 1.165 1.00 51.24 H new ATOM 0 HG23 ILE A 80 1.555 -5.566 1.137 1.00 51.24 H new ATOM 0 HD11 ILE A 80 5.291 -5.002 3.021 1.00 30.14 H new ATOM 0 HD12 ILE A 80 4.967 -6.751 2.982 1.00 30.14 H new ATOM 0 HD13 ILE A 80 4.488 -5.727 1.608 1.00 30.14 H new ATOM 1264 N ARG A 81 -0.069 -8.533 3.998 1.00 5.33 N ATOM 1265 CA ARG A 81 -1.003 -9.652 3.814 1.00 2.23 C ATOM 1266 C ARG A 81 -2.466 -9.222 4.017 1.00 14.14 C ATOM 1267 O ARG A 81 -3.309 -9.468 3.156 1.00 15.23 O ATOM 1268 CB ARG A 81 -0.637 -10.791 4.782 1.00 73.45 C ATOM 1269 CG ARG A 81 -1.756 -11.796 5.052 1.00 33.05 C ATOM 1270 CD ARG A 81 -2.170 -12.584 3.814 1.00 43.51 C ATOM 1271 NE ARG A 81 -3.264 -13.502 4.123 1.00 45.24 N ATOM 1272 CZ ARG A 81 -3.655 -14.480 3.356 1.00 72.22 C ATOM 1273 NH1 ARG A 81 -3.102 -14.682 2.205 1.00 31.42 N ATOM 1274 NH2 ARG A 81 -4.616 -15.248 3.746 1.00 72.01 N ATOM 0 H ARG A 81 0.674 -8.723 4.671 1.00 5.33 H new ATOM 0 HA ARG A 81 -0.913 -10.001 2.785 1.00 2.23 H new ATOM 0 HB2 ARG A 81 0.223 -11.327 4.380 1.00 73.45 H new ATOM 0 HB3 ARG A 81 -0.325 -10.355 5.731 1.00 73.45 H new ATOM 0 HG2 ARG A 81 -1.431 -12.492 5.825 1.00 33.05 H new ATOM 0 HG3 ARG A 81 -2.624 -11.266 5.444 1.00 33.05 H new ATOM 0 HD2 ARG A 81 -2.478 -11.896 3.026 1.00 43.51 H new ATOM 0 HD3 ARG A 81 -1.317 -13.144 3.432 1.00 43.51 H new ATOM 0 HE ARG A 81 -3.758 -13.367 5.005 1.00 45.24 H new ATOM 0 HH11 ARG A 81 -2.349 -14.072 1.887 1.00 31.42 H new ATOM 0 HH12 ARG A 81 -3.418 -15.452 1.615 1.00 31.42 H new ATOM 0 HH21 ARG A 81 -5.063 -15.087 4.648 1.00 72.01 H new ATOM 0 HH22 ARG A 81 -4.928 -16.016 3.152 1.00 72.01 H new ATOM 1288 N GLU A 82 -2.770 -8.587 5.149 1.00 12.23 N ATOM 1289 CA GLU A 82 -4.145 -8.145 5.429 1.00 64.00 C ATOM 1290 C GLU A 82 -4.652 -7.168 4.360 1.00 11.00 C ATOM 1291 O GLU A 82 -5.834 -7.178 4.005 1.00 14.15 O ATOM 1292 CB GLU A 82 -4.242 -7.502 6.819 1.00 54.10 C ATOM 1293 CG GLU A 82 -3.924 -8.456 7.967 1.00 70.10 C ATOM 1294 CD GLU A 82 -4.723 -9.751 7.901 1.00 3.24 C ATOM 1295 OE1 GLU A 82 -5.973 -9.695 7.979 1.00 13.12 O ATOM 1296 OE2 GLU A 82 -4.107 -10.831 7.758 1.00 51.11 O ATOM 0 H GLU A 82 -2.095 -8.367 5.882 1.00 12.23 H new ATOM 0 HA GLU A 82 -4.780 -9.031 5.407 1.00 64.00 H new ATOM 0 HB2 GLU A 82 -3.558 -6.654 6.865 1.00 54.10 H new ATOM 0 HB3 GLU A 82 -5.249 -7.107 6.956 1.00 54.10 H new ATOM 0 HG2 GLU A 82 -2.860 -8.691 7.953 1.00 70.10 H new ATOM 0 HG3 GLU A 82 -4.128 -7.957 8.914 1.00 70.10 H new ATOM 1303 N PHE A 83 -3.753 -6.329 3.848 1.00 44.21 N ATOM 1304 CA PHE A 83 -4.079 -5.416 2.747 1.00 65.24 C ATOM 1305 C PHE A 83 -4.475 -6.203 1.484 1.00 74.21 C ATOM 1306 O PHE A 83 -5.484 -5.903 0.839 1.00 14.34 O ATOM 1307 CB PHE A 83 -2.881 -4.498 2.454 1.00 32.24 C ATOM 1308 CG PHE A 83 -3.083 -3.569 1.282 1.00 72.04 C ATOM 1309 CD1 PHE A 83 -3.868 -2.430 1.407 1.00 44.44 C ATOM 1310 CD2 PHE A 83 -2.487 -3.834 0.055 1.00 1.33 C ATOM 1311 CE1 PHE A 83 -4.053 -1.578 0.335 1.00 42.22 C ATOM 1312 CE2 PHE A 83 -2.671 -2.982 -1.019 1.00 13.24 C ATOM 1313 CZ PHE A 83 -3.453 -1.854 -0.878 1.00 5.34 C ATOM 0 H PHE A 83 -2.790 -6.261 4.177 1.00 44.21 H new ATOM 0 HA PHE A 83 -4.930 -4.803 3.044 1.00 65.24 H new ATOM 0 HB2 PHE A 83 -2.668 -3.903 3.342 1.00 32.24 H new ATOM 0 HB3 PHE A 83 -2.002 -5.115 2.266 1.00 32.24 H new ATOM 0 HD1 PHE A 83 -4.339 -2.208 2.353 1.00 44.44 H new ATOM 0 HD2 PHE A 83 -1.873 -4.715 -0.061 1.00 1.33 H new ATOM 0 HE1 PHE A 83 -4.667 -0.696 0.446 1.00 42.22 H new ATOM 0 HE2 PHE A 83 -2.203 -3.200 -1.968 1.00 13.24 H new ATOM 0 HZ PHE A 83 -3.596 -1.187 -1.716 1.00 5.34 H new ATOM 1323 N LEU A 84 -3.676 -7.214 1.150 1.00 25.10 N ATOM 1324 CA LEU A 84 -3.952 -8.089 0.003 1.00 3.15 C ATOM 1325 C LEU A 84 -5.283 -8.836 0.178 1.00 23.44 C ATOM 1326 O LEU A 84 -6.128 -8.852 -0.718 1.00 24.24 O ATOM 1327 CB LEU A 84 -2.813 -9.105 -0.162 1.00 72.01 C ATOM 1328 CG LEU A 84 -1.418 -8.500 -0.377 1.00 74.04 C ATOM 1329 CD1 LEU A 84 -0.347 -9.586 -0.337 1.00 63.41 C ATOM 1330 CD2 LEU A 84 -1.363 -7.730 -1.694 1.00 22.02 C ATOM 0 H LEU A 84 -2.825 -7.452 1.659 1.00 25.10 H new ATOM 0 HA LEU A 84 -4.024 -7.464 -0.887 1.00 3.15 H new ATOM 0 HB2 LEU A 84 -2.783 -9.739 0.724 1.00 72.01 H new ATOM 0 HB3 LEU A 84 -3.045 -9.751 -1.009 1.00 72.01 H new ATOM 0 HG LEU A 84 -1.219 -7.800 0.434 1.00 74.04 H new ATOM 0 HD11 LEU A 84 0.634 -9.136 -0.491 1.00 63.41 H new ATOM 0 HD12 LEU A 84 -0.369 -10.083 0.633 1.00 63.41 H new ATOM 0 HD13 LEU A 84 -0.539 -10.316 -1.124 1.00 63.41 H new ATOM 0 HD21 LEU A 84 -0.367 -7.309 -1.828 1.00 22.02 H new ATOM 0 HD22 LEU A 84 -1.586 -8.406 -2.520 1.00 22.02 H new ATOM 0 HD23 LEU A 84 -2.098 -6.925 -1.676 1.00 22.02 H new ATOM 1342 N ARG A 85 -5.455 -9.438 1.352 1.00 35.02 N ATOM 1343 CA ARG A 85 -6.647 -10.228 1.667 1.00 74.25 C ATOM 1344 C ARG A 85 -7.922 -9.364 1.628 1.00 42.41 C ATOM 1345 O ARG A 85 -8.945 -9.775 1.082 1.00 42.45 O ATOM 1346 CB ARG A 85 -6.465 -10.886 3.050 1.00 12.54 C ATOM 1347 CG ARG A 85 -7.537 -11.916 3.419 1.00 52.05 C ATOM 1348 CD ARG A 85 -8.718 -11.281 4.147 1.00 3.11 C ATOM 1349 NE ARG A 85 -8.301 -10.634 5.392 1.00 74.51 N ATOM 1350 CZ ARG A 85 -9.115 -10.050 6.226 1.00 55.11 C ATOM 1351 NH1 ARG A 85 -10.386 -9.992 5.984 1.00 60.22 N ATOM 1352 NH2 ARG A 85 -8.660 -9.523 7.313 1.00 54.02 N ATOM 0 H ARG A 85 -4.775 -9.394 2.111 1.00 35.02 H new ATOM 0 HA ARG A 85 -6.767 -11.004 0.911 1.00 74.25 H new ATOM 0 HB2 ARG A 85 -5.490 -11.371 3.080 1.00 12.54 H new ATOM 0 HB3 ARG A 85 -6.456 -10.105 3.810 1.00 12.54 H new ATOM 0 HG2 ARG A 85 -7.892 -12.409 2.514 1.00 52.05 H new ATOM 0 HG3 ARG A 85 -7.096 -12.688 4.050 1.00 52.05 H new ATOM 0 HD2 ARG A 85 -9.194 -10.547 3.497 1.00 3.11 H new ATOM 0 HD3 ARG A 85 -9.464 -12.045 4.366 1.00 3.11 H new ATOM 0 HE ARG A 85 -7.307 -10.641 5.622 1.00 74.51 H new ATOM 0 HH11 ARG A 85 -10.762 -10.407 5.131 1.00 60.22 H new ATOM 0 HH12 ARG A 85 -11.011 -9.532 6.646 1.00 60.22 H new ATOM 0 HH21 ARG A 85 -7.662 -9.563 7.520 1.00 54.02 H new ATOM 0 HH22 ARG A 85 -9.298 -9.066 7.964 1.00 54.02 H new ATOM 1366 N GLY A 86 -7.850 -8.166 2.208 1.00 42.30 N ATOM 1367 CA GLY A 86 -8.990 -7.250 2.195 1.00 13.12 C ATOM 1368 C GLY A 86 -9.364 -6.791 0.787 1.00 60.02 C ATOM 1369 O GLY A 86 -10.514 -6.946 0.350 1.00 45.34 O ATOM 0 H GLY A 86 -7.023 -7.810 2.688 1.00 42.30 H new ATOM 0 HA2 GLY A 86 -9.849 -7.740 2.653 1.00 13.12 H new ATOM 0 HA3 GLY A 86 -8.757 -6.378 2.807 1.00 13.12 H new ATOM 1373 N CYS A 87 -8.389 -6.231 0.068 1.00 34.11 N ATOM 1374 CA CYS A 87 -8.594 -5.796 -1.321 1.00 64.53 C ATOM 1375 C CYS A 87 -9.061 -6.959 -2.206 1.00 12.44 C ATOM 1376 O CYS A 87 -9.924 -6.791 -3.069 1.00 40.11 O ATOM 1377 CB CYS A 87 -7.302 -5.197 -1.892 1.00 14.15 C ATOM 1378 SG CYS A 87 -6.710 -3.730 -1.011 1.00 10.15 S ATOM 0 H CYS A 87 -7.447 -6.067 0.423 1.00 34.11 H new ATOM 0 HA CYS A 87 -9.373 -5.033 -1.316 1.00 64.53 H new ATOM 0 HB2 CYS A 87 -6.522 -5.958 -1.872 1.00 14.15 H new ATOM 0 HB3 CYS A 87 -7.467 -4.937 -2.938 1.00 14.15 H new ATOM 0 HG CYS A 87 -6.003 -4.097 0.017 1.00 10.15 H new ATOM 1384 N GLY A 88 -8.492 -8.137 -1.976 1.00 2.32 N ATOM 1385 CA GLY A 88 -8.865 -9.324 -2.740 1.00 73.31 C ATOM 1386 C GLY A 88 -10.225 -9.904 -2.346 1.00 65.42 C ATOM 1387 O GLY A 88 -10.807 -10.692 -3.092 1.00 11.15 O ATOM 0 H GLY A 88 -7.773 -8.296 -1.270 1.00 2.32 H new ATOM 0 HA2 GLY A 88 -8.880 -9.073 -3.801 1.00 73.31 H new ATOM 0 HA3 GLY A 88 -8.100 -10.089 -2.604 1.00 73.31 H new ATOM 1391 N ALA A 89 -10.728 -9.524 -1.173 1.00 24.31 N ATOM 1392 CA ALA A 89 -12.039 -9.988 -0.701 1.00 40.32 C ATOM 1393 C ALA A 89 -13.190 -9.199 -1.348 1.00 2.43 C ATOM 1394 O ALA A 89 -14.091 -9.779 -1.958 1.00 41.00 O ATOM 1395 CB ALA A 89 -12.112 -9.889 0.820 1.00 75.03 C ATOM 0 H ALA A 89 -10.250 -8.895 -0.528 1.00 24.31 H new ATOM 0 HA ALA A 89 -12.152 -11.031 -0.998 1.00 40.32 H new ATOM 0 HB1 ALA A 89 -13.088 -10.235 1.161 1.00 75.03 H new ATOM 0 HB2 ALA A 89 -11.332 -10.509 1.263 1.00 75.03 H new ATOM 0 HB3 ALA A 89 -11.968 -8.852 1.124 1.00 75.03 H new ATOM 1401 N SER A 90 -13.151 -7.874 -1.214 1.00 74.34 N ATOM 1402 CA SER A 90 -14.212 -7.006 -1.760 1.00 61.02 C ATOM 1403 C SER A 90 -13.937 -6.618 -3.221 1.00 74.03 C ATOM 1404 O SER A 90 -14.693 -6.974 -4.129 1.00 74.53 O ATOM 1405 CB SER A 90 -14.361 -5.738 -0.905 1.00 31.15 C ATOM 1406 OG SER A 90 -15.388 -4.888 -1.402 1.00 12.03 O ATOM 0 H SER A 90 -12.403 -7.373 -0.735 1.00 74.34 H new ATOM 0 HA SER A 90 -15.142 -7.574 -1.732 1.00 61.02 H new ATOM 0 HB2 SER A 90 -14.586 -6.017 0.124 1.00 31.15 H new ATOM 0 HB3 SER A 90 -13.415 -5.196 -0.889 1.00 31.15 H new ATOM 0 HG SER A 90 -15.457 -4.092 -0.834 1.00 12.03 H new ATOM 1412 N LEU A 91 -12.844 -5.891 -3.445 1.00 50.35 N ATOM 1413 CA LEU A 91 -12.493 -5.410 -4.789 1.00 12.32 C ATOM 1414 C LEU A 91 -12.043 -6.553 -5.713 1.00 33.35 C ATOM 1415 O LEU A 91 -12.208 -6.474 -6.932 1.00 70.42 O ATOM 1416 CB LEU A 91 -11.403 -4.338 -4.689 1.00 14.24 C ATOM 1417 CG LEU A 91 -11.837 -3.037 -3.997 1.00 2.41 C ATOM 1418 CD1 LEU A 91 -10.641 -2.123 -3.766 1.00 33.51 C ATOM 1419 CD2 LEU A 91 -12.909 -2.324 -4.822 1.00 23.32 C ATOM 0 H LEU A 91 -12.184 -5.620 -2.717 1.00 50.35 H new ATOM 0 HA LEU A 91 -13.389 -4.976 -5.232 1.00 12.32 H new ATOM 0 HB2 LEU A 91 -10.553 -4.754 -4.148 1.00 14.24 H new ATOM 0 HB3 LEU A 91 -11.055 -4.099 -5.694 1.00 14.24 H new ATOM 0 HG LEU A 91 -12.262 -3.291 -3.026 1.00 2.41 H new ATOM 0 HD11 LEU A 91 -10.972 -1.208 -3.275 1.00 33.51 H new ATOM 0 HD12 LEU A 91 -9.912 -2.630 -3.134 1.00 33.51 H new ATOM 0 HD13 LEU A 91 -10.182 -1.876 -4.723 1.00 33.51 H new ATOM 0 HD21 LEU A 91 -13.205 -1.404 -4.317 1.00 23.32 H new ATOM 0 HD22 LEU A 91 -12.510 -2.085 -5.808 1.00 23.32 H new ATOM 0 HD23 LEU A 91 -13.777 -2.974 -4.930 1.00 23.32 H new ATOM 1431 N ARG A 92 -11.455 -7.600 -5.126 1.00 21.10 N ATOM 1432 CA ARG A 92 -11.088 -8.824 -5.860 1.00 23.13 C ATOM 1433 C ARG A 92 -10.192 -8.529 -7.078 1.00 51.21 C ATOM 1434 O ARG A 92 -10.181 -9.278 -8.058 1.00 12.24 O ATOM 1435 CB ARG A 92 -12.371 -9.567 -6.276 1.00 21.54 C ATOM 1436 CG ARG A 92 -13.255 -9.926 -5.084 1.00 64.21 C ATOM 1437 CD ARG A 92 -14.615 -10.484 -5.497 1.00 44.15 C ATOM 1438 NE ARG A 92 -15.450 -10.764 -4.330 1.00 2.22 N ATOM 1439 CZ ARG A 92 -16.709 -11.110 -4.376 1.00 73.55 C ATOM 1440 NH1 ARG A 92 -17.345 -11.179 -5.505 1.00 71.31 N ATOM 1441 NH2 ARG A 92 -17.338 -11.361 -3.276 1.00 51.42 N ATOM 0 H ARG A 92 -11.219 -7.627 -4.134 1.00 21.10 H new ATOM 0 HA ARG A 92 -10.499 -9.459 -5.198 1.00 23.13 H new ATOM 0 HB2 ARG A 92 -12.938 -8.946 -6.969 1.00 21.54 H new ATOM 0 HB3 ARG A 92 -12.102 -10.478 -6.811 1.00 21.54 H new ATOM 0 HG2 ARG A 92 -12.740 -10.660 -4.465 1.00 64.21 H new ATOM 0 HG3 ARG A 92 -13.404 -9.039 -4.469 1.00 64.21 H new ATOM 0 HD2 ARG A 92 -15.121 -9.770 -6.147 1.00 44.15 H new ATOM 0 HD3 ARG A 92 -14.476 -11.398 -6.075 1.00 44.15 H new ATOM 0 HE ARG A 92 -15.017 -10.683 -3.410 1.00 2.22 H new ATOM 0 HH11 ARG A 92 -16.862 -10.961 -6.377 1.00 71.31 H new ATOM 0 HH12 ARG A 92 -18.328 -11.451 -5.521 1.00 71.31 H new ATOM 0 HH21 ARG A 92 -16.852 -11.288 -2.382 1.00 51.42 H new ATOM 0 HH22 ARG A 92 -18.321 -11.632 -3.301 1.00 51.42 H new ATOM 1455 N LEU A 93 -9.420 -7.444 -6.992 1.00 1.12 N ATOM 1456 CA LEU A 93 -8.513 -7.045 -8.075 1.00 15.03 C ATOM 1457 C LEU A 93 -7.253 -7.925 -8.111 1.00 32.30 C ATOM 1458 O LEU A 93 -7.046 -8.779 -7.246 1.00 32.43 O ATOM 1459 CB LEU A 93 -8.094 -5.568 -7.943 1.00 51.15 C ATOM 1460 CG LEU A 93 -7.161 -5.223 -6.756 1.00 32.13 C ATOM 1461 CD1 LEU A 93 -6.309 -3.998 -7.078 1.00 21.14 C ATOM 1462 CD2 LEU A 93 -7.960 -4.973 -5.481 1.00 71.41 C ATOM 0 H LEU A 93 -9.403 -6.823 -6.183 1.00 1.12 H new ATOM 0 HA LEU A 93 -9.064 -7.178 -9.006 1.00 15.03 H new ATOM 0 HB2 LEU A 93 -7.598 -5.269 -8.866 1.00 51.15 H new ATOM 0 HB3 LEU A 93 -8.996 -4.963 -7.856 1.00 51.15 H new ATOM 0 HG LEU A 93 -6.507 -6.079 -6.593 1.00 32.13 H new ATOM 0 HD11 LEU A 93 -5.661 -3.773 -6.231 1.00 21.14 H new ATOM 0 HD12 LEU A 93 -5.699 -4.200 -7.958 1.00 21.14 H new ATOM 0 HD13 LEU A 93 -6.958 -3.145 -7.275 1.00 21.14 H new ATOM 0 HD21 LEU A 93 -7.278 -4.733 -4.665 1.00 71.41 H new ATOM 0 HD22 LEU A 93 -8.645 -4.140 -5.638 1.00 71.41 H new ATOM 0 HD23 LEU A 93 -8.529 -5.867 -5.227 1.00 71.41 H new ATOM 1474 N GLU A 94 -6.414 -7.698 -9.116 1.00 41.32 N ATOM 1475 CA GLU A 94 -5.146 -8.417 -9.254 1.00 51.12 C ATOM 1476 C GLU A 94 -4.143 -7.964 -8.179 1.00 14.21 C ATOM 1477 O GLU A 94 -3.553 -6.886 -8.275 1.00 25.41 O ATOM 1478 CB GLU A 94 -4.584 -8.187 -10.665 1.00 51.11 C ATOM 1479 CG GLU A 94 -5.572 -8.565 -11.767 1.00 30.42 C ATOM 1480 CD GLU A 94 -5.053 -8.285 -13.168 1.00 50.13 C ATOM 1481 OE1 GLU A 94 -4.348 -9.151 -13.728 1.00 42.12 O ATOM 1482 OE2 GLU A 94 -5.365 -7.211 -13.728 1.00 62.34 O ATOM 0 H GLU A 94 -6.589 -7.016 -9.854 1.00 41.32 H new ATOM 0 HA GLU A 94 -5.319 -9.484 -9.111 1.00 51.12 H new ATOM 0 HB2 GLU A 94 -4.309 -7.138 -10.775 1.00 51.11 H new ATOM 0 HB3 GLU A 94 -3.671 -8.770 -10.787 1.00 51.11 H new ATOM 0 HG2 GLU A 94 -5.811 -9.625 -11.682 1.00 30.42 H new ATOM 0 HG3 GLU A 94 -6.501 -8.015 -11.616 1.00 30.42 H new ATOM 1489 N THR A 95 -3.966 -8.787 -7.143 1.00 32.24 N ATOM 1490 CA THR A 95 -3.110 -8.435 -5.999 1.00 4.21 C ATOM 1491 C THR A 95 -1.652 -8.862 -6.208 1.00 2.11 C ATOM 1492 O THR A 95 -1.341 -9.657 -7.096 1.00 20.33 O ATOM 1493 CB THR A 95 -3.624 -9.077 -4.686 1.00 13.50 C ATOM 1494 OG1 THR A 95 -3.579 -10.512 -4.779 1.00 34.51 O ATOM 1495 CG2 THR A 95 -5.051 -8.629 -4.379 1.00 23.53 C ATOM 0 H THR A 95 -4.404 -9.705 -7.069 1.00 32.24 H new ATOM 0 HA THR A 95 -3.153 -7.349 -5.922 1.00 4.21 H new ATOM 0 HB THR A 95 -2.973 -8.747 -3.876 1.00 13.50 H new ATOM 0 HG1 THR A 95 -3.905 -10.904 -3.942 1.00 34.51 H new ATOM 0 HG21 THR A 95 -5.387 -9.094 -3.452 1.00 23.53 H new ATOM 0 HG22 THR A 95 -5.077 -7.545 -4.271 1.00 23.53 H new ATOM 0 HG23 THR A 95 -5.710 -8.928 -5.195 1.00 23.53 H new ATOM 1503 N PHE A 96 -0.765 -8.334 -5.367 1.00 52.54 N ATOM 1504 CA PHE A 96 0.670 -8.650 -5.428 1.00 62.24 C ATOM 1505 C PHE A 96 1.098 -9.550 -4.256 1.00 32.10 C ATOM 1506 O PHE A 96 0.273 -9.952 -3.434 1.00 71.51 O ATOM 1507 CB PHE A 96 1.502 -7.355 -5.435 1.00 44.00 C ATOM 1508 CG PHE A 96 1.309 -6.477 -4.218 1.00 22.35 C ATOM 1509 CD1 PHE A 96 0.284 -5.544 -4.175 1.00 54.35 C ATOM 1510 CD2 PHE A 96 2.159 -6.577 -3.125 1.00 62.11 C ATOM 1511 CE1 PHE A 96 0.109 -4.731 -3.071 1.00 53.30 C ATOM 1512 CE2 PHE A 96 1.989 -5.768 -2.018 1.00 10.34 C ATOM 1513 CZ PHE A 96 0.963 -4.844 -1.991 1.00 11.22 C ATOM 0 H PHE A 96 -1.014 -7.678 -4.626 1.00 52.54 H new ATOM 0 HA PHE A 96 0.852 -9.196 -6.354 1.00 62.24 H new ATOM 0 HB2 PHE A 96 2.557 -7.617 -5.515 1.00 44.00 H new ATOM 0 HB3 PHE A 96 1.248 -6.780 -6.326 1.00 44.00 H new ATOM 0 HD1 PHE A 96 -0.387 -5.451 -5.016 1.00 54.35 H new ATOM 0 HD2 PHE A 96 2.964 -7.297 -3.140 1.00 62.11 H new ATOM 0 HE1 PHE A 96 -0.694 -4.009 -3.053 1.00 53.30 H new ATOM 0 HE2 PHE A 96 2.658 -5.858 -1.175 1.00 10.34 H new ATOM 0 HZ PHE A 96 0.828 -4.211 -1.127 1.00 11.22 H new ATOM 1523 N ASP A 97 2.384 -9.888 -4.203 1.00 65.20 N ATOM 1524 CA ASP A 97 2.936 -10.686 -3.101 1.00 51.00 C ATOM 1525 C ASP A 97 3.643 -9.788 -2.066 1.00 50.44 C ATOM 1526 O ASP A 97 4.300 -8.807 -2.423 1.00 32.44 O ATOM 1527 CB ASP A 97 3.915 -11.727 -3.652 1.00 34.33 C ATOM 1528 CG ASP A 97 3.317 -12.520 -4.800 1.00 43.32 C ATOM 1529 OD1 ASP A 97 3.370 -12.037 -5.951 1.00 41.31 O ATOM 1530 OD2 ASP A 97 2.782 -13.621 -4.555 1.00 12.21 O ATOM 0 H ASP A 97 3.069 -9.623 -4.911 1.00 65.20 H new ATOM 0 HA ASP A 97 2.113 -11.195 -2.600 1.00 51.00 H new ATOM 0 HB2 ASP A 97 4.823 -11.227 -3.991 1.00 34.33 H new ATOM 0 HB3 ASP A 97 4.206 -12.409 -2.853 1.00 34.33 H new ATOM 1535 N ALA A 98 3.514 -10.141 -0.788 1.00 15.14 N ATOM 1536 CA ALA A 98 4.091 -9.347 0.310 1.00 53.11 C ATOM 1537 C ALA A 98 5.622 -9.246 0.211 1.00 75.12 C ATOM 1538 O ALA A 98 6.202 -8.169 0.381 1.00 65.13 O ATOM 1539 CB ALA A 98 3.693 -9.951 1.654 1.00 52.31 C ATOM 0 H ALA A 98 3.014 -10.975 -0.480 1.00 15.14 H new ATOM 0 HA ALA A 98 3.692 -8.336 0.228 1.00 53.11 H new ATOM 0 HB1 ALA A 98 4.124 -9.358 2.461 1.00 52.31 H new ATOM 0 HB2 ALA A 98 2.607 -9.953 1.745 1.00 52.31 H new ATOM 0 HB3 ALA A 98 4.064 -10.974 1.717 1.00 52.31 H new ATOM 1545 N ASN A 99 6.265 -10.379 -0.069 1.00 21.13 N ATOM 1546 CA ASN A 99 7.730 -10.456 -0.140 1.00 4.24 C ATOM 1547 C ASN A 99 8.315 -9.460 -1.156 1.00 33.04 C ATOM 1548 O ASN A 99 9.329 -8.814 -0.892 1.00 42.21 O ATOM 1549 CB ASN A 99 8.163 -11.882 -0.508 1.00 62.11 C ATOM 1550 CG ASN A 99 7.625 -12.927 0.455 1.00 32.32 C ATOM 1551 OD1 ASN A 99 6.544 -12.780 1.014 1.00 21.31 O ATOM 1552 ND2 ASN A 99 8.371 -13.994 0.655 1.00 54.33 N ATOM 0 H ASN A 99 5.793 -11.264 -0.252 1.00 21.13 H new ATOM 0 HA ASN A 99 8.117 -10.191 0.844 1.00 4.24 H new ATOM 0 HB2 ASN A 99 7.819 -12.112 -1.516 1.00 62.11 H new ATOM 0 HB3 ASN A 99 9.252 -11.934 -0.523 1.00 62.11 H new ATOM 0 HD21 ASN A 99 8.054 -14.727 1.290 1.00 54.33 H new ATOM 0 HD22 ASN A 99 9.266 -14.088 0.175 1.00 54.33 H new ATOM 1559 N ASP A 100 7.669 -9.337 -2.314 1.00 73.02 N ATOM 1560 CA ASP A 100 8.132 -8.434 -3.372 1.00 64.34 C ATOM 1561 C ASP A 100 8.225 -6.979 -2.898 1.00 30.23 C ATOM 1562 O ASP A 100 9.209 -6.293 -3.175 1.00 75.42 O ATOM 1563 CB ASP A 100 7.219 -8.542 -4.590 1.00 41.25 C ATOM 1564 CG ASP A 100 7.416 -9.864 -5.299 1.00 70.33 C ATOM 1565 OD1 ASP A 100 8.361 -9.966 -6.101 1.00 2.32 O ATOM 1566 OD2 ASP A 100 6.648 -10.810 -5.045 1.00 32.32 O ATOM 0 H ASP A 100 6.820 -9.852 -2.546 1.00 73.02 H new ATOM 0 HA ASP A 100 9.140 -8.744 -3.647 1.00 64.34 H new ATOM 0 HB2 ASP A 100 6.179 -8.443 -4.279 1.00 41.25 H new ATOM 0 HB3 ASP A 100 7.425 -7.722 -5.278 1.00 41.25 H new ATOM 1571 N LEU A 101 7.212 -6.518 -2.175 1.00 1.31 N ATOM 1572 CA LEU A 101 7.205 -5.147 -1.659 1.00 22.13 C ATOM 1573 C LEU A 101 8.216 -4.975 -0.512 1.00 22.40 C ATOM 1574 O LEU A 101 9.060 -4.078 -0.544 1.00 53.24 O ATOM 1575 CB LEU A 101 5.798 -4.762 -1.183 1.00 63.22 C ATOM 1576 CG LEU A 101 5.663 -3.343 -0.604 1.00 60.50 C ATOM 1577 CD1 LEU A 101 6.074 -2.289 -1.633 1.00 65.05 C ATOM 1578 CD2 LEU A 101 4.238 -3.098 -0.121 1.00 21.34 C ATOM 0 H LEU A 101 6.387 -7.066 -1.931 1.00 1.31 H new ATOM 0 HA LEU A 101 7.500 -4.484 -2.472 1.00 22.13 H new ATOM 0 HB2 LEU A 101 5.109 -4.861 -2.022 1.00 63.22 H new ATOM 0 HB3 LEU A 101 5.481 -5.477 -0.424 1.00 63.22 H new ATOM 0 HG LEU A 101 6.336 -3.259 0.249 1.00 60.50 H new ATOM 0 HD11 LEU A 101 5.969 -1.295 -1.198 1.00 65.05 H new ATOM 0 HD12 LEU A 101 7.112 -2.450 -1.924 1.00 65.05 H new ATOM 0 HD13 LEU A 101 5.434 -2.370 -2.512 1.00 65.05 H new ATOM 0 HD21 LEU A 101 4.160 -2.090 0.286 1.00 21.34 H new ATOM 0 HD22 LEU A 101 3.547 -3.207 -0.957 1.00 21.34 H new ATOM 0 HD23 LEU A 101 3.987 -3.822 0.654 1.00 21.34 H new ATOM 1590 N TYR A 102 8.142 -5.858 0.486 1.00 21.44 N ATOM 1591 CA TYR A 102 8.995 -5.746 1.676 1.00 21.43 C ATOM 1592 C TYR A 102 10.488 -5.916 1.344 1.00 35.42 C ATOM 1593 O TYR A 102 11.347 -5.260 1.937 1.00 1.30 O ATOM 1594 CB TYR A 102 8.580 -6.777 2.735 1.00 41.42 C ATOM 1595 CG TYR A 102 9.286 -6.577 4.062 1.00 55.02 C ATOM 1596 CD1 TYR A 102 9.024 -5.455 4.835 1.00 61.04 C ATOM 1597 CD2 TYR A 102 10.214 -7.496 4.536 1.00 50.35 C ATOM 1598 CE1 TYR A 102 9.662 -5.251 6.041 1.00 53.55 C ATOM 1599 CE2 TYR A 102 10.854 -7.298 5.744 1.00 11.10 C ATOM 1600 CZ TYR A 102 10.575 -6.174 6.493 1.00 2.05 C ATOM 1601 OH TYR A 102 11.207 -5.971 7.701 1.00 75.43 O ATOM 0 H TYR A 102 7.505 -6.655 0.497 1.00 21.44 H new ATOM 0 HA TYR A 102 8.856 -4.739 2.070 1.00 21.43 H new ATOM 0 HB2 TYR A 102 7.503 -6.718 2.890 1.00 41.42 H new ATOM 0 HB3 TYR A 102 8.794 -7.779 2.363 1.00 41.42 H new ATOM 0 HD1 TYR A 102 8.307 -4.727 4.486 1.00 61.04 H new ATOM 0 HD2 TYR A 102 10.438 -8.377 3.952 1.00 50.35 H new ATOM 0 HE1 TYR A 102 9.445 -4.370 6.627 1.00 53.55 H new ATOM 0 HE2 TYR A 102 11.571 -8.022 6.101 1.00 11.10 H new ATOM 0 HH TYR A 102 10.538 -5.785 8.393 1.00 75.43 H new ATOM 1611 N GLN A 103 10.797 -6.806 0.406 1.00 70.42 N ATOM 1612 CA GLN A 103 12.189 -7.072 0.017 1.00 53.23 C ATOM 1613 C GLN A 103 12.618 -6.240 -1.204 1.00 21.32 C ATOM 1614 O GLN A 103 13.802 -6.177 -1.538 1.00 74.01 O ATOM 1615 CB GLN A 103 12.389 -8.570 -0.272 1.00 33.34 C ATOM 1616 CG GLN A 103 12.108 -9.484 0.923 1.00 40.04 C ATOM 1617 CD GLN A 103 12.928 -9.124 2.155 1.00 52.42 C ATOM 1618 OE1 GLN A 103 14.024 -8.580 2.055 1.00 21.32 O ATOM 1619 NE2 GLN A 103 12.409 -9.436 3.326 1.00 35.25 N ATOM 0 H GLN A 103 10.106 -7.358 -0.102 1.00 70.42 H new ATOM 0 HA GLN A 103 12.819 -6.777 0.856 1.00 53.23 H new ATOM 0 HB2 GLN A 103 11.738 -8.859 -1.097 1.00 33.34 H new ATOM 0 HB3 GLN A 103 13.415 -8.730 -0.604 1.00 33.34 H new ATOM 0 HG2 GLN A 103 11.048 -9.432 1.171 1.00 40.04 H new ATOM 0 HG3 GLN A 103 12.319 -10.516 0.642 1.00 40.04 H new ATOM 0 HE21 GLN A 103 11.496 -9.888 3.375 1.00 35.25 H new ATOM 0 HE22 GLN A 103 12.921 -9.226 4.183 1.00 35.25 H new ATOM 1628 N GLY A 104 11.655 -5.594 -1.862 1.00 21.33 N ATOM 1629 CA GLY A 104 11.963 -4.801 -3.050 1.00 65.24 C ATOM 1630 C GLY A 104 12.338 -5.658 -4.260 1.00 52.12 C ATOM 1631 O GLY A 104 13.233 -5.305 -5.031 1.00 61.23 O ATOM 0 H GLY A 104 10.670 -5.604 -1.597 1.00 21.33 H new ATOM 0 HA2 GLY A 104 11.100 -4.184 -3.302 1.00 65.24 H new ATOM 0 HA3 GLY A 104 12.785 -4.122 -2.824 1.00 65.24 H new ATOM 1635 N GLN A 105 11.655 -6.790 -4.423 1.00 13.24 N ATOM 1636 CA GLN A 105 11.918 -7.707 -5.541 1.00 54.32 C ATOM 1637 C GLN A 105 11.265 -7.191 -6.837 1.00 43.52 C ATOM 1638 O GLN A 105 11.944 -6.677 -7.729 1.00 2.04 O ATOM 1639 CB GLN A 105 11.395 -9.116 -5.212 1.00 20.45 C ATOM 1640 CG GLN A 105 11.871 -9.657 -3.864 1.00 65.44 C ATOM 1641 CD GLN A 105 11.291 -11.027 -3.523 1.00 32.31 C ATOM 1642 OE1 GLN A 105 11.907 -11.817 -2.812 1.00 30.42 O ATOM 1643 NE2 GLN A 105 10.109 -11.331 -4.027 1.00 35.34 N ATOM 0 H GLN A 105 10.912 -7.098 -3.795 1.00 13.24 H new ATOM 0 HA GLN A 105 12.996 -7.756 -5.693 1.00 54.32 H new ATOM 0 HB2 GLN A 105 10.305 -9.099 -5.221 1.00 20.45 H new ATOM 0 HB3 GLN A 105 11.709 -9.802 -5.999 1.00 20.45 H new ATOM 0 HG2 GLN A 105 12.959 -9.722 -3.871 1.00 65.44 H new ATOM 0 HG3 GLN A 105 11.599 -8.950 -3.080 1.00 65.44 H new ATOM 0 HE21 GLN A 105 9.617 -10.658 -4.615 1.00 35.34 H new ATOM 0 HE22 GLN A 105 9.688 -12.239 -3.829 1.00 35.34 H new ATOM 1652 N ASN A 106 9.945 -7.336 -6.932 1.00 52.23 N ATOM 1653 CA ASN A 106 9.184 -6.829 -8.079 1.00 72.41 C ATOM 1654 C ASN A 106 8.142 -5.791 -7.635 1.00 14.42 C ATOM 1655 O ASN A 106 7.066 -6.147 -7.149 1.00 30.31 O ATOM 1656 CB ASN A 106 8.481 -7.985 -8.797 1.00 12.31 C ATOM 1657 CG ASN A 106 9.457 -8.995 -9.369 1.00 73.15 C ATOM 1658 OD1 ASN A 106 9.953 -8.838 -10.477 1.00 10.30 O ATOM 1659 ND2 ASN A 106 9.726 -10.049 -8.631 1.00 54.12 N ATOM 0 H ASN A 106 9.375 -7.802 -6.226 1.00 52.23 H new ATOM 0 HA ASN A 106 9.885 -6.348 -8.761 1.00 72.41 H new ATOM 0 HB2 ASN A 106 7.811 -8.487 -8.099 1.00 12.31 H new ATOM 0 HB3 ASN A 106 7.863 -7.586 -9.602 1.00 12.31 H new ATOM 0 HD21 ASN A 106 10.364 -10.765 -8.978 1.00 54.12 H new ATOM 0 HD22 ASN A 106 9.296 -10.151 -7.711 1.00 54.12 H new ATOM 1666 N PHE A 107 8.461 -4.507 -7.802 1.00 54.21 N ATOM 1667 CA PHE A 107 7.548 -3.431 -7.390 1.00 74.33 C ATOM 1668 C PHE A 107 6.404 -3.242 -8.401 1.00 60.10 C ATOM 1669 O PHE A 107 5.310 -2.813 -8.037 1.00 72.10 O ATOM 1670 CB PHE A 107 8.314 -2.110 -7.203 1.00 4.54 C ATOM 1671 CG PHE A 107 7.447 -0.980 -6.701 1.00 33.01 C ATOM 1672 CD1 PHE A 107 7.023 -0.950 -5.379 1.00 3.54 C ATOM 1673 CD2 PHE A 107 7.049 0.045 -7.549 1.00 3.44 C ATOM 1674 CE1 PHE A 107 6.220 0.076 -4.916 1.00 40.11 C ATOM 1675 CE2 PHE A 107 6.249 1.073 -7.090 1.00 23.44 C ATOM 1676 CZ PHE A 107 5.833 1.088 -5.772 1.00 11.42 C ATOM 0 H PHE A 107 9.336 -4.185 -8.216 1.00 54.21 H new ATOM 0 HA PHE A 107 7.109 -3.723 -6.436 1.00 74.33 H new ATOM 0 HB2 PHE A 107 9.133 -2.269 -6.501 1.00 4.54 H new ATOM 0 HB3 PHE A 107 8.761 -1.820 -8.154 1.00 4.54 H new ATOM 0 HD1 PHE A 107 7.324 -1.738 -4.704 1.00 3.54 H new ATOM 0 HD2 PHE A 107 7.369 0.038 -8.580 1.00 3.44 H new ATOM 0 HE1 PHE A 107 5.896 0.086 -3.886 1.00 40.11 H new ATOM 0 HE2 PHE A 107 5.949 1.865 -7.760 1.00 23.44 H new ATOM 0 HZ PHE A 107 5.206 1.890 -5.412 1.00 11.42 H new ATOM 1686 N ASN A 108 6.663 -3.575 -9.666 1.00 11.12 N ATOM 1687 CA ASN A 108 5.662 -3.437 -10.733 1.00 13.22 C ATOM 1688 C ASN A 108 4.315 -4.091 -10.363 1.00 20.43 C ATOM 1689 O ASN A 108 3.249 -3.517 -10.613 1.00 54.50 O ATOM 1690 CB ASN A 108 6.200 -4.018 -12.052 1.00 50.11 C ATOM 1691 CG ASN A 108 6.844 -5.387 -11.886 1.00 2.32 C ATOM 1692 OD1 ASN A 108 6.496 -6.155 -10.997 1.00 44.14 O ATOM 1693 ND2 ASN A 108 7.792 -5.701 -12.743 1.00 15.22 N ATOM 0 H ASN A 108 7.560 -3.944 -9.981 1.00 11.12 H new ATOM 0 HA ASN A 108 5.474 -2.371 -10.862 1.00 13.22 H new ATOM 0 HB2 ASN A 108 5.382 -4.093 -12.769 1.00 50.11 H new ATOM 0 HB3 ASN A 108 6.931 -3.328 -12.474 1.00 50.11 H new ATOM 0 HD21 ASN A 108 8.259 -6.605 -12.678 1.00 15.22 H new ATOM 0 HD22 ASN A 108 8.060 -5.040 -13.472 1.00 15.22 H new ATOM 1700 N LYS A 109 4.365 -5.281 -9.763 1.00 3.45 N ATOM 1701 CA LYS A 109 3.150 -5.972 -9.311 1.00 44.24 C ATOM 1702 C LYS A 109 2.411 -5.142 -8.246 1.00 73.15 C ATOM 1703 O LYS A 109 1.179 -5.058 -8.246 1.00 43.33 O ATOM 1704 CB LYS A 109 3.496 -7.363 -8.749 1.00 22.24 C ATOM 1705 CG LYS A 109 4.181 -8.290 -9.756 1.00 40.33 C ATOM 1706 CD LYS A 109 4.321 -9.719 -9.226 1.00 70.31 C ATOM 1707 CE LYS A 109 5.189 -9.786 -7.973 1.00 32.02 C ATOM 1708 NZ LYS A 109 5.377 -11.183 -7.499 1.00 55.04 N ATOM 0 H LYS A 109 5.230 -5.788 -9.578 1.00 3.45 H new ATOM 0 HA LYS A 109 2.493 -6.094 -10.172 1.00 44.24 H new ATOM 0 HB2 LYS A 109 4.146 -7.242 -7.882 1.00 22.24 H new ATOM 0 HB3 LYS A 109 2.581 -7.839 -8.397 1.00 22.24 H new ATOM 0 HG2 LYS A 109 3.608 -8.303 -10.683 1.00 40.33 H new ATOM 0 HG3 LYS A 109 5.168 -7.896 -9.997 1.00 40.33 H new ATOM 0 HD2 LYS A 109 3.332 -10.121 -9.003 1.00 70.31 H new ATOM 0 HD3 LYS A 109 4.755 -10.351 -10.001 1.00 70.31 H new ATOM 0 HE2 LYS A 109 6.161 -9.340 -8.182 1.00 32.02 H new ATOM 0 HE3 LYS A 109 4.730 -9.193 -7.182 1.00 32.02 H new ATOM 0 HZ1 LYS A 109 5.930 -11.179 -6.618 1.00 55.04 H new ATOM 0 HZ2 LYS A 109 4.449 -11.618 -7.324 1.00 55.04 H new ATOM 0 HZ3 LYS A 109 5.884 -11.730 -8.223 1.00 55.04 H new ATOM 1722 N VAL A 110 3.178 -4.526 -7.349 1.00 3.41 N ATOM 1723 CA VAL A 110 2.617 -3.673 -6.297 1.00 2.13 C ATOM 1724 C VAL A 110 1.950 -2.428 -6.900 1.00 54.44 C ATOM 1725 O VAL A 110 0.806 -2.102 -6.581 1.00 40.32 O ATOM 1726 CB VAL A 110 3.709 -3.220 -5.292 1.00 31.32 C ATOM 1727 CG1 VAL A 110 3.094 -2.436 -4.132 1.00 32.33 C ATOM 1728 CG2 VAL A 110 4.512 -4.419 -4.785 1.00 70.12 C ATOM 0 H VAL A 110 4.195 -4.601 -7.328 1.00 3.41 H new ATOM 0 HA VAL A 110 1.872 -4.268 -5.769 1.00 2.13 H new ATOM 0 HB VAL A 110 4.396 -2.554 -5.815 1.00 31.32 H new ATOM 0 HG11 VAL A 110 3.880 -2.130 -3.442 1.00 32.33 H new ATOM 0 HG12 VAL A 110 2.587 -1.552 -4.519 1.00 32.33 H new ATOM 0 HG13 VAL A 110 2.376 -3.066 -3.607 1.00 32.33 H new ATOM 0 HG21 VAL A 110 5.272 -4.077 -4.082 1.00 70.12 H new ATOM 0 HG22 VAL A 110 3.843 -5.119 -4.285 1.00 70.12 H new ATOM 0 HG23 VAL A 110 4.994 -4.916 -5.627 1.00 70.12 H new ATOM 1738 N LEU A 111 2.676 -1.755 -7.790 1.00 65.21 N ATOM 1739 CA LEU A 111 2.206 -0.513 -8.408 1.00 73.24 C ATOM 1740 C LEU A 111 0.892 -0.722 -9.186 1.00 34.21 C ATOM 1741 O LEU A 111 -0.020 0.100 -9.102 1.00 0.50 O ATOM 1742 CB LEU A 111 3.296 0.055 -9.330 1.00 63.05 C ATOM 1743 CG LEU A 111 3.054 1.487 -9.837 1.00 43.50 C ATOM 1744 CD1 LEU A 111 2.875 2.452 -8.664 1.00 21.11 C ATOM 1745 CD2 LEU A 111 4.205 1.942 -10.736 1.00 3.41 C ATOM 0 H LEU A 111 3.601 -2.051 -8.103 1.00 65.21 H new ATOM 0 HA LEU A 111 1.999 0.202 -7.612 1.00 73.24 H new ATOM 0 HB2 LEU A 111 4.246 0.033 -8.797 1.00 63.05 H new ATOM 0 HB3 LEU A 111 3.398 -0.604 -10.192 1.00 63.05 H new ATOM 0 HG LEU A 111 2.137 1.490 -10.426 1.00 43.50 H new ATOM 0 HD11 LEU A 111 2.705 3.459 -9.044 1.00 21.11 H new ATOM 0 HD12 LEU A 111 2.019 2.141 -8.065 1.00 21.11 H new ATOM 0 HD13 LEU A 111 3.773 2.444 -8.046 1.00 21.11 H new ATOM 0 HD21 LEU A 111 4.015 2.957 -11.084 1.00 3.41 H new ATOM 0 HD22 LEU A 111 5.138 1.920 -10.172 1.00 3.41 H new ATOM 0 HD23 LEU A 111 4.284 1.273 -11.593 1.00 3.41 H new ATOM 1757 N SER A 112 0.798 -1.825 -9.933 1.00 54.54 N ATOM 1758 CA SER A 112 -0.444 -2.165 -10.655 1.00 43.30 C ATOM 1759 C SER A 112 -1.632 -2.311 -9.694 1.00 72.04 C ATOM 1760 O SER A 112 -2.752 -1.900 -10.006 1.00 25.53 O ATOM 1761 CB SER A 112 -0.279 -3.461 -11.464 1.00 35.32 C ATOM 1762 OG SER A 112 0.569 -3.268 -12.585 1.00 4.22 O ATOM 0 H SER A 112 1.556 -2.496 -10.057 1.00 54.54 H new ATOM 0 HA SER A 112 -0.647 -1.341 -11.340 1.00 43.30 H new ATOM 0 HB2 SER A 112 0.134 -4.241 -10.824 1.00 35.32 H new ATOM 0 HB3 SER A 112 -1.256 -3.808 -11.801 1.00 35.32 H new ATOM 0 HG SER A 112 0.656 -4.110 -13.078 1.00 4.22 H new ATOM 1768 N SER A 113 -1.379 -2.896 -8.525 1.00 33.35 N ATOM 1769 CA SER A 113 -2.421 -3.058 -7.501 1.00 20.45 C ATOM 1770 C SER A 113 -2.822 -1.704 -6.903 1.00 42.22 C ATOM 1771 O SER A 113 -3.999 -1.463 -6.637 1.00 43.31 O ATOM 1772 CB SER A 113 -1.947 -4.000 -6.386 1.00 52.54 C ATOM 1773 OG SER A 113 -2.940 -4.165 -5.379 1.00 61.11 O ATOM 0 H SER A 113 -0.466 -3.266 -8.259 1.00 33.35 H new ATOM 0 HA SER A 113 -3.294 -3.496 -7.986 1.00 20.45 H new ATOM 0 HB2 SER A 113 -1.696 -4.971 -6.812 1.00 52.54 H new ATOM 0 HB3 SER A 113 -1.036 -3.604 -5.937 1.00 52.54 H new ATOM 0 HG SER A 113 -2.605 -4.772 -4.686 1.00 61.11 H new ATOM 1779 N LEU A 114 -1.837 -0.828 -6.694 1.00 61.15 N ATOM 1780 CA LEU A 114 -2.088 0.522 -6.166 1.00 2.42 C ATOM 1781 C LEU A 114 -2.935 1.360 -7.142 1.00 4.12 C ATOM 1782 O LEU A 114 -3.959 1.934 -6.761 1.00 51.53 O ATOM 1783 CB LEU A 114 -0.758 1.238 -5.886 1.00 51.04 C ATOM 1784 CG LEU A 114 0.141 0.571 -4.832 1.00 63.52 C ATOM 1785 CD1 LEU A 114 1.471 1.311 -4.718 1.00 41.43 C ATOM 1786 CD2 LEU A 114 -0.564 0.508 -3.477 1.00 72.30 C ATOM 0 H LEU A 114 -0.854 -1.027 -6.882 1.00 61.15 H new ATOM 0 HA LEU A 114 -2.646 0.416 -5.236 1.00 2.42 H new ATOM 0 HB2 LEU A 114 -0.201 1.312 -6.820 1.00 51.04 H new ATOM 0 HB3 LEU A 114 -0.974 2.256 -5.563 1.00 51.04 H new ATOM 0 HG LEU A 114 0.344 -0.451 -5.153 1.00 63.52 H new ATOM 0 HD11 LEU A 114 2.095 0.825 -3.967 1.00 41.43 H new ATOM 0 HD12 LEU A 114 1.981 1.293 -5.681 1.00 41.43 H new ATOM 0 HD13 LEU A 114 1.288 2.345 -4.424 1.00 41.43 H new ATOM 0 HD21 LEU A 114 0.091 0.032 -2.748 1.00 72.30 H new ATOM 0 HD22 LEU A 114 -0.804 1.518 -3.145 1.00 72.30 H new ATOM 0 HD23 LEU A 114 -1.483 -0.071 -3.571 1.00 72.30 H new ATOM 1798 N VAL A 115 -2.503 1.416 -8.403 1.00 74.45 N ATOM 1799 CA VAL A 115 -3.224 2.163 -9.442 1.00 0.42 C ATOM 1800 C VAL A 115 -4.657 1.638 -9.613 1.00 33.43 C ATOM 1801 O VAL A 115 -5.616 2.412 -9.622 1.00 72.40 O ATOM 1802 CB VAL A 115 -2.484 2.097 -10.803 1.00 21.43 C ATOM 1803 CG1 VAL A 115 -3.239 2.875 -11.882 1.00 24.23 C ATOM 1804 CG2 VAL A 115 -1.056 2.621 -10.660 1.00 1.50 C ATOM 0 H VAL A 115 -1.656 0.953 -8.733 1.00 74.45 H new ATOM 0 HA VAL A 115 -3.265 3.202 -9.114 1.00 0.42 H new ATOM 0 HB VAL A 115 -2.442 1.053 -11.113 1.00 21.43 H new ATOM 0 HG11 VAL A 115 -2.696 2.810 -12.825 1.00 24.23 H new ATOM 0 HG12 VAL A 115 -4.235 2.450 -12.007 1.00 24.23 H new ATOM 0 HG13 VAL A 115 -3.325 3.920 -11.584 1.00 24.23 H new ATOM 0 HG21 VAL A 115 -0.551 2.568 -11.624 1.00 1.50 H new ATOM 0 HG22 VAL A 115 -1.081 3.656 -10.320 1.00 1.50 H new ATOM 0 HG23 VAL A 115 -0.516 2.013 -9.934 1.00 1.50 H new ATOM 1814 N THR A 116 -4.800 0.318 -9.741 1.00 42.22 N ATOM 1815 CA THR A 116 -6.128 -0.303 -9.859 1.00 73.41 C ATOM 1816 C THR A 116 -6.986 -0.015 -8.620 1.00 41.04 C ATOM 1817 O THR A 116 -8.177 0.261 -8.740 1.00 25.31 O ATOM 1818 CB THR A 116 -6.039 -1.834 -10.076 1.00 2.52 C ATOM 1819 OG1 THR A 116 -5.325 -2.114 -11.294 1.00 22.34 O ATOM 1820 CG2 THR A 116 -7.428 -2.473 -10.138 1.00 14.55 C ATOM 0 H THR A 116 -4.022 -0.341 -9.766 1.00 42.22 H new ATOM 0 HA THR A 116 -6.599 0.141 -10.736 1.00 73.41 H new ATOM 0 HB THR A 116 -5.506 -2.262 -9.227 1.00 2.52 H new ATOM 0 HG1 THR A 116 -4.361 -2.098 -11.119 1.00 22.34 H new ATOM 0 HG21 THR A 116 -7.328 -3.548 -10.291 1.00 14.55 H new ATOM 0 HG22 THR A 116 -7.956 -2.287 -9.203 1.00 14.55 H new ATOM 0 HG23 THR A 116 -7.991 -2.040 -10.965 1.00 14.55 H new ATOM 1828 N LEU A 117 -6.374 -0.074 -7.435 1.00 63.11 N ATOM 1829 CA LEU A 117 -7.057 0.280 -6.182 1.00 11.53 C ATOM 1830 C LEU A 117 -7.676 1.687 -6.271 1.00 72.42 C ATOM 1831 O LEU A 117 -8.836 1.893 -5.910 1.00 52.43 O ATOM 1832 CB LEU A 117 -6.069 0.212 -5.005 1.00 55.03 C ATOM 1833 CG LEU A 117 -6.660 0.531 -3.621 1.00 52.22 C ATOM 1834 CD1 LEU A 117 -7.740 -0.475 -3.242 1.00 5.04 C ATOM 1835 CD2 LEU A 117 -5.562 0.562 -2.562 1.00 62.14 C ATOM 0 H LEU A 117 -5.404 -0.364 -7.314 1.00 63.11 H new ATOM 0 HA LEU A 117 -7.861 -0.437 -6.017 1.00 11.53 H new ATOM 0 HB2 LEU A 117 -5.637 -0.788 -4.974 1.00 55.03 H new ATOM 0 HB3 LEU A 117 -5.251 0.906 -5.200 1.00 55.03 H new ATOM 0 HG LEU A 117 -7.120 1.518 -3.671 1.00 52.22 H new ATOM 0 HD11 LEU A 117 -8.141 -0.226 -2.259 1.00 5.04 H new ATOM 0 HD12 LEU A 117 -8.542 -0.443 -3.980 1.00 5.04 H new ATOM 0 HD13 LEU A 117 -7.311 -1.477 -3.216 1.00 5.04 H new ATOM 0 HD21 LEU A 117 -6.000 0.789 -1.590 1.00 62.14 H new ATOM 0 HD22 LEU A 117 -5.070 -0.410 -2.520 1.00 62.14 H new ATOM 0 HD23 LEU A 117 -4.831 1.329 -2.818 1.00 62.14 H new ATOM 1847 N ASN A 118 -6.890 2.649 -6.756 1.00 62.23 N ATOM 1848 CA ASN A 118 -7.379 4.015 -6.978 1.00 12.30 C ATOM 1849 C ASN A 118 -8.537 4.033 -7.991 1.00 21.50 C ATOM 1850 O ASN A 118 -9.589 4.608 -7.736 1.00 13.14 O ATOM 1851 CB ASN A 118 -6.239 4.911 -7.484 1.00 62.41 C ATOM 1852 CG ASN A 118 -6.672 6.354 -7.709 1.00 20.02 C ATOM 1853 OD1 ASN A 118 -6.299 6.978 -8.697 1.00 1.24 O ATOM 1854 ND2 ASN A 118 -7.432 6.908 -6.781 1.00 41.33 N ATOM 0 H ASN A 118 -5.910 2.510 -7.004 1.00 62.23 H new ATOM 0 HA ASN A 118 -7.747 4.397 -6.026 1.00 12.30 H new ATOM 0 HB2 ASN A 118 -5.421 4.891 -6.764 1.00 62.41 H new ATOM 0 HB3 ASN A 118 -5.851 4.504 -8.418 1.00 62.41 H new ATOM 0 HD21 ASN A 118 -7.725 7.881 -6.875 1.00 41.33 H new ATOM 0 HD22 ASN A 118 -7.726 6.363 -5.970 1.00 41.33 H new ATOM 1861 N LYS A 119 -8.328 3.383 -9.134 1.00 23.42 N ATOM 1862 CA LYS A 119 -9.313 3.369 -10.226 1.00 64.53 C ATOM 1863 C LYS A 119 -10.665 2.770 -9.801 1.00 34.42 C ATOM 1864 O LYS A 119 -11.712 3.384 -10.007 1.00 4.40 O ATOM 1865 CB LYS A 119 -8.750 2.587 -11.421 1.00 12.54 C ATOM 1866 CG LYS A 119 -7.521 3.236 -12.053 1.00 5.42 C ATOM 1867 CD LYS A 119 -6.879 2.342 -13.110 1.00 61.43 C ATOM 1868 CE LYS A 119 -7.850 1.990 -14.231 1.00 22.34 C ATOM 1869 NZ LYS A 119 -7.194 1.179 -15.291 1.00 41.22 N ATOM 0 H LYS A 119 -7.479 2.853 -9.334 1.00 23.42 H new ATOM 0 HA LYS A 119 -9.497 4.406 -10.506 1.00 64.53 H new ATOM 0 HB2 LYS A 119 -8.491 1.579 -11.096 1.00 12.54 H new ATOM 0 HB3 LYS A 119 -9.528 2.488 -12.178 1.00 12.54 H new ATOM 0 HG2 LYS A 119 -7.806 4.185 -12.506 1.00 5.42 H new ATOM 0 HG3 LYS A 119 -6.790 3.460 -11.276 1.00 5.42 H new ATOM 0 HD2 LYS A 119 -6.009 2.846 -13.530 1.00 61.43 H new ATOM 0 HD3 LYS A 119 -6.521 1.426 -12.640 1.00 61.43 H new ATOM 0 HE2 LYS A 119 -8.695 1.438 -13.821 1.00 22.34 H new ATOM 0 HE3 LYS A 119 -8.249 2.905 -14.668 1.00 22.34 H new ATOM 0 HZ1 LYS A 119 -7.885 0.958 -16.037 1.00 41.22 H new ATOM 0 HZ2 LYS A 119 -6.403 1.716 -15.700 1.00 41.22 H new ATOM 0 HZ3 LYS A 119 -6.835 0.294 -14.879 1.00 41.22 H new ATOM 1883 N VAL A 120 -10.641 1.573 -9.213 1.00 25.44 N ATOM 1884 CA VAL A 120 -11.879 0.875 -8.834 1.00 63.33 C ATOM 1885 C VAL A 120 -12.675 1.638 -7.760 1.00 11.33 C ATOM 1886 O VAL A 120 -13.908 1.660 -7.791 1.00 60.11 O ATOM 1887 CB VAL A 120 -11.598 -0.568 -8.343 1.00 15.22 C ATOM 1888 CG1 VAL A 120 -10.988 -1.407 -9.465 1.00 13.33 C ATOM 1889 CG2 VAL A 120 -10.692 -0.563 -7.112 1.00 72.52 C ATOM 0 H VAL A 120 -9.785 1.066 -8.988 1.00 25.44 H new ATOM 0 HA VAL A 120 -12.484 0.828 -9.739 1.00 63.33 H new ATOM 0 HB VAL A 120 -12.548 -1.019 -8.055 1.00 15.22 H new ATOM 0 HG11 VAL A 120 -10.798 -2.417 -9.102 1.00 13.33 H new ATOM 0 HG12 VAL A 120 -11.680 -1.448 -10.306 1.00 13.33 H new ATOM 0 HG13 VAL A 120 -10.050 -0.955 -9.789 1.00 13.33 H new ATOM 0 HG21 VAL A 120 -10.511 -1.588 -6.789 1.00 72.52 H new ATOM 0 HG22 VAL A 120 -9.743 -0.088 -7.361 1.00 72.52 H new ATOM 0 HG23 VAL A 120 -11.175 -0.009 -6.307 1.00 72.52 H new ATOM 1899 N THR A 121 -11.973 2.269 -6.817 1.00 61.15 N ATOM 1900 CA THR A 121 -12.632 3.056 -5.763 1.00 64.31 C ATOM 1901 C THR A 121 -13.069 4.431 -6.286 1.00 14.52 C ATOM 1902 O THR A 121 -14.129 4.938 -5.918 1.00 40.23 O ATOM 1903 CB THR A 121 -11.726 3.238 -4.523 1.00 34.41 C ATOM 1904 OG1 THR A 121 -10.487 3.855 -4.902 1.00 55.22 O ATOM 1905 CG2 THR A 121 -11.450 1.896 -3.852 1.00 23.02 C ATOM 0 H THR A 121 -10.955 2.253 -6.758 1.00 61.15 H new ATOM 0 HA THR A 121 -13.515 2.492 -5.462 1.00 64.31 H new ATOM 0 HB THR A 121 -12.246 3.881 -3.813 1.00 34.41 H new ATOM 0 HG1 THR A 121 -9.869 3.171 -5.234 1.00 55.22 H new ATOM 0 HG21 THR A 121 -10.811 2.049 -2.982 1.00 23.02 H new ATOM 0 HG22 THR A 121 -12.391 1.447 -3.536 1.00 23.02 H new ATOM 0 HG23 THR A 121 -10.950 1.232 -4.558 1.00 23.02 H new ATOM 1913 N ALA A 122 -12.252 5.031 -7.150 1.00 3.24 N ATOM 1914 CA ALA A 122 -12.636 6.265 -7.847 1.00 60.12 C ATOM 1915 C ALA A 122 -13.916 6.039 -8.656 1.00 53.44 C ATOM 1916 O ALA A 122 -14.814 6.882 -8.675 1.00 54.41 O ATOM 1917 CB ALA A 122 -11.505 6.743 -8.752 1.00 22.52 C ATOM 0 H ALA A 122 -11.321 4.687 -7.386 1.00 3.24 H new ATOM 0 HA ALA A 122 -12.828 7.039 -7.104 1.00 60.12 H new ATOM 0 HB1 ALA A 122 -11.808 7.658 -9.260 1.00 22.52 H new ATOM 0 HB2 ALA A 122 -10.616 6.938 -8.152 1.00 22.52 H new ATOM 0 HB3 ALA A 122 -11.281 5.974 -9.492 1.00 22.52 H new ATOM 1923 N ASP A 123 -13.989 4.876 -9.298 1.00 13.44 N ATOM 1924 CA ASP A 123 -15.175 4.451 -10.042 1.00 31.22 C ATOM 1925 C ASP A 123 -16.404 4.345 -9.115 1.00 72.15 C ATOM 1926 O ASP A 123 -17.547 4.482 -9.559 1.00 10.20 O ATOM 1927 CB ASP A 123 -14.886 3.103 -10.715 1.00 31.24 C ATOM 1928 CG ASP A 123 -15.982 2.674 -11.670 1.00 25.41 C ATOM 1929 OD1 ASP A 123 -15.991 3.160 -12.821 1.00 51.03 O ATOM 1930 OD2 ASP A 123 -16.831 1.843 -11.280 1.00 41.03 O ATOM 0 H ASP A 123 -13.226 4.199 -9.318 1.00 13.44 H new ATOM 0 HA ASP A 123 -15.405 5.197 -10.803 1.00 31.22 H new ATOM 0 HB2 ASP A 123 -13.943 3.168 -11.258 1.00 31.24 H new ATOM 0 HB3 ASP A 123 -14.760 2.339 -9.948 1.00 31.24 H new