USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 752 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 74 GLN : amide:sc= -0.109 X(o=-1.2,f=-1.4) USER MOD Set 1.2: A 77 MET CE :methyl -176:sc= -1.04 (180deg=-1.01) USER MOD Set 2.1: A 51 GLN :FLIP amide:sc= -0.0352 F(o=-0.14,f=1.1) USER MOD Set 2.2: A 68 MET CE :methyl 150:sc= -0.0033 (180deg=-0.348) USER MOD Set 2.3: A 82 LYS NZ :NH3+ 175:sc= 0.563 (180deg=0.55) USER MOD Set 2.4: A 99 THR OG1 : rot -31:sc= 0.614 USER MOD Set 3.1: A 40 SER OG : rot 163:sc= 0.261 USER MOD Set 3.2: A 45 SER OG : rot 171:sc= 0.317 USER MOD Set 3.3: A 47 HIS : no HE2:sc= -0.125 K(o=0.45,f=-2.1!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -147:sc= 0.491 (180deg=0.0598) USER MOD Single : A 26 THR OG1 : rot 76:sc= 0.952 USER MOD Single : A 29 SER OG : rot -25:sc= 0.363 USER MOD Single : A 33 THR OG1 : rot 90:sc= -1.11 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN :FLIP amide:sc= -0.145 F(o=-1,f=-0.14) USER MOD Single : A 53 GLN : amide:sc= -0.0498 X(o=-0.05,f=-0.36) USER MOD Single : A 56 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0201) USER MOD Single : A 61 LYS NZ :NH3+ -149:sc= 0.348 (180deg=-0.963!) USER MOD Single : A 62 TYR OH : rot 8:sc= 0.301 USER MOD Single : A 64 LYS NZ :NH3+ 172:sc=-0.00496 (180deg=-0.0842) USER MOD Single : A 65 HIS :FLIP no HE2:sc= -0.384 F(o=-1.2,f=-0.38) USER MOD Single : A 66 ASN :FLIP amide:sc= -0.531 F(o=-1.4,f=-0.53) USER MOD Single : A 67 ASN : amide:sc= -1.97 K(o=-2,f=-4.1!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.282 X(o=-0.28,f=-0.19) USER MOD Single : A 78 TYR OH : rot 15:sc= -0.054 USER MOD Single : A 85 HIS : no HD1:sc= 0.322 K(o=0.32,f=-1.6!) USER MOD Single : A 102 GLN : amide:sc= -0.6 K(o=-0.6,f=-1.4) USER MOD Single : A 103 HIS : no HD1:sc= -1.33 K(o=-1.3,f=-2) USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD Single : A 110 GLN :FLIP amide:sc= -0.295 F(o=-0.89,f=-0.3) USER MOD Single : A 112 GLN : amide:sc= -1.33 K(o=-1.3,f=-2.8!) USER MOD Single : A 116 ASN :FLIP amide:sc= -0.123 F(o=-1.6!,f=-0.12) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 237 N VAL A 17 7.372 -14.183 0.003 1.00 52.24 N ATOM 238 CA VAL A 17 6.463 -13.036 -0.019 1.00 62.11 C ATOM 239 C VAL A 17 5.387 -13.231 1.076 1.00 64.50 C ATOM 240 O VAL A 17 4.671 -14.235 1.036 1.00 44.34 O ATOM 241 CB VAL A 17 5.769 -12.883 -1.432 1.00 13.32 C ATOM 242 CG1 VAL A 17 4.831 -11.657 -1.463 1.00 52.15 C ATOM 243 CG2 VAL A 17 6.820 -12.795 -2.566 1.00 65.25 C ATOM 0 HA VAL A 17 7.036 -12.128 0.172 1.00 62.11 H new ATOM 0 HB VAL A 17 5.166 -13.775 -1.599 1.00 13.32 H new ATOM 0 HG11 VAL A 17 4.368 -11.578 -2.447 1.00 52.15 H new ATOM 0 HG12 VAL A 17 4.056 -11.773 -0.706 1.00 52.15 H new ATOM 0 HG13 VAL A 17 5.406 -10.754 -1.259 1.00 52.15 H new ATOM 0 HG21 VAL A 17 6.313 -12.690 -3.525 1.00 65.25 H new ATOM 0 HG22 VAL A 17 7.463 -11.931 -2.400 1.00 65.25 H new ATOM 0 HG23 VAL A 17 7.425 -13.702 -2.573 1.00 65.25 H new ATOM 253 N PRO A 18 5.296 -12.323 2.103 1.00 11.20 N ATOM 254 CA PRO A 18 4.205 -12.363 3.109 1.00 74.25 C ATOM 255 C PRO A 18 2.815 -12.202 2.451 1.00 64.45 C ATOM 256 O PRO A 18 2.695 -11.516 1.420 1.00 21.01 O ATOM 257 CB PRO A 18 4.534 -11.171 4.056 1.00 62.50 C ATOM 258 CG PRO A 18 5.997 -10.912 3.848 1.00 5.31 C ATOM 259 CD PRO A 18 6.247 -11.213 2.385 1.00 15.10 C ATOM 0 HA PRO A 18 4.155 -13.316 3.635 1.00 74.25 H new ATOM 0 HB2 PRO A 18 3.937 -10.293 3.809 1.00 62.50 H new ATOM 0 HB3 PRO A 18 4.320 -11.420 5.095 1.00 62.50 H new ATOM 0 HG2 PRO A 18 6.253 -9.880 4.087 1.00 5.31 H new ATOM 0 HG3 PRO A 18 6.605 -11.548 4.491 1.00 5.31 H new ATOM 0 HD2 PRO A 18 6.052 -10.345 1.755 1.00 15.10 H new ATOM 0 HD3 PRO A 18 7.280 -11.511 2.205 1.00 15.10 H new ATOM 267 N ALA A 19 1.787 -12.850 3.045 1.00 31.22 N ATOM 268 CA ALA A 19 0.382 -12.740 2.601 1.00 13.25 C ATOM 269 C ALA A 19 -0.064 -11.271 2.499 1.00 44.31 C ATOM 270 O ALA A 19 -0.754 -10.894 1.554 1.00 3.32 O ATOM 271 CB ALA A 19 -0.539 -13.513 3.558 1.00 32.35 C ATOM 0 H ALA A 19 1.911 -13.466 3.849 1.00 31.22 H new ATOM 0 HA ALA A 19 0.310 -13.178 1.606 1.00 13.25 H new ATOM 0 HB1 ALA A 19 -1.572 -13.424 3.220 1.00 32.35 H new ATOM 0 HB2 ALA A 19 -0.250 -14.564 3.571 1.00 32.35 H new ATOM 0 HB3 ALA A 19 -0.449 -13.100 4.563 1.00 32.35 H new ATOM 277 N PHE A 20 0.368 -10.455 3.483 1.00 23.20 N ATOM 278 CA PHE A 20 0.144 -9.002 3.510 1.00 23.11 C ATOM 279 C PHE A 20 0.633 -8.324 2.210 1.00 22.35 C ATOM 280 O PHE A 20 -0.098 -7.531 1.636 1.00 52.14 O ATOM 281 CB PHE A 20 0.852 -8.381 4.752 1.00 3.31 C ATOM 282 CG PHE A 20 0.584 -6.883 4.976 1.00 44.43 C ATOM 283 CD1 PHE A 20 1.333 -5.906 4.317 1.00 31.12 C ATOM 284 CD2 PHE A 20 -0.428 -6.454 5.840 1.00 25.33 C ATOM 285 CE1 PHE A 20 1.082 -4.565 4.511 1.00 43.14 C ATOM 286 CE2 PHE A 20 -0.676 -5.108 6.032 1.00 52.43 C ATOM 287 CZ PHE A 20 0.080 -4.165 5.366 1.00 50.42 C ATOM 0 H PHE A 20 0.889 -10.796 4.291 1.00 23.20 H new ATOM 0 HA PHE A 20 -0.929 -8.826 3.583 1.00 23.11 H new ATOM 0 HB2 PHE A 20 0.537 -8.927 5.641 1.00 3.31 H new ATOM 0 HB3 PHE A 20 1.927 -8.530 4.650 1.00 3.31 H new ATOM 0 HD1 PHE A 20 2.122 -6.206 3.644 1.00 31.12 H new ATOM 0 HD2 PHE A 20 -1.025 -7.185 6.365 1.00 25.33 H new ATOM 0 HE1 PHE A 20 1.673 -3.826 3.991 1.00 43.14 H new ATOM 0 HE2 PHE A 20 -1.462 -4.794 6.703 1.00 52.43 H new ATOM 0 HZ PHE A 20 -0.114 -3.113 5.516 1.00 50.42 H new ATOM 297 N LEU A 21 1.864 -8.667 1.754 1.00 3.44 N ATOM 298 CA LEU A 21 2.511 -7.987 0.606 1.00 24.22 C ATOM 299 C LEU A 21 1.934 -8.435 -0.741 1.00 52.32 C ATOM 300 O LEU A 21 1.841 -7.622 -1.655 1.00 73.45 O ATOM 301 CB LEU A 21 4.055 -8.192 0.594 1.00 72.42 C ATOM 302 CG LEU A 21 4.879 -7.409 1.660 1.00 5.51 C ATOM 303 CD1 LEU A 21 6.389 -7.610 1.428 1.00 31.14 C ATOM 304 CD2 LEU A 21 4.518 -5.904 1.673 1.00 55.10 C ATOM 0 H LEU A 21 2.428 -9.411 2.165 1.00 3.44 H new ATOM 0 HA LEU A 21 2.297 -6.927 0.741 1.00 24.22 H new ATOM 0 HB2 LEU A 21 4.257 -9.255 0.723 1.00 72.42 H new ATOM 0 HB3 LEU A 21 4.426 -7.915 -0.393 1.00 72.42 H new ATOM 0 HG LEU A 21 4.621 -7.811 2.639 1.00 5.51 H new ATOM 0 HD11 LEU A 21 6.950 -7.056 2.181 1.00 31.14 H new ATOM 0 HD12 LEU A 21 6.631 -8.670 1.502 1.00 31.14 H new ATOM 0 HD13 LEU A 21 6.656 -7.246 0.436 1.00 31.14 H new ATOM 0 HD21 LEU A 21 5.114 -5.393 2.430 1.00 55.10 H new ATOM 0 HD22 LEU A 21 4.726 -5.471 0.694 1.00 55.10 H new ATOM 0 HD23 LEU A 21 3.459 -5.786 1.904 1.00 55.10 H new ATOM 316 N THR A 22 1.595 -9.731 -0.880 1.00 13.15 N ATOM 317 CA THR A 22 1.039 -10.262 -2.139 1.00 64.33 C ATOM 318 C THR A 22 -0.395 -9.723 -2.375 1.00 31.15 C ATOM 319 O THR A 22 -0.767 -9.406 -3.509 1.00 1.04 O ATOM 320 CB THR A 22 1.079 -11.833 -2.185 1.00 75.54 C ATOM 321 OG1 THR A 22 0.724 -12.303 -3.496 1.00 64.20 O ATOM 322 CG2 THR A 22 0.152 -12.485 -1.149 1.00 22.44 C ATOM 0 H THR A 22 1.696 -10.426 -0.140 1.00 13.15 H new ATOM 0 HA THR A 22 1.672 -9.909 -2.953 1.00 64.33 H new ATOM 0 HB THR A 22 2.102 -12.122 -1.942 1.00 75.54 H new ATOM 0 HG1 THR A 22 0.754 -13.282 -3.512 1.00 64.20 H new ATOM 0 HG21 THR A 22 0.223 -13.570 -1.229 1.00 22.44 H new ATOM 0 HG22 THR A 22 0.450 -12.175 -0.148 1.00 22.44 H new ATOM 0 HG23 THR A 22 -0.876 -12.174 -1.334 1.00 22.44 H new ATOM 330 N LYS A 23 -1.175 -9.583 -1.272 1.00 1.42 N ATOM 331 CA LYS A 23 -2.537 -9.022 -1.317 1.00 34.23 C ATOM 332 C LYS A 23 -2.482 -7.495 -1.479 1.00 33.32 C ATOM 333 O LYS A 23 -3.326 -6.917 -2.160 1.00 24.41 O ATOM 334 CB LYS A 23 -3.339 -9.421 -0.054 1.00 14.04 C ATOM 335 CG LYS A 23 -3.527 -10.952 0.103 1.00 11.24 C ATOM 336 CD LYS A 23 -4.531 -11.323 1.216 1.00 3.51 C ATOM 337 CE LYS A 23 -5.972 -10.941 0.849 1.00 11.13 C ATOM 338 NZ LYS A 23 -6.944 -11.318 1.914 1.00 20.42 N ATOM 0 H LYS A 23 -0.874 -9.856 -0.336 1.00 1.42 H new ATOM 0 HA LYS A 23 -3.053 -9.437 -2.182 1.00 34.23 H new ATOM 0 HB2 LYS A 23 -2.829 -9.034 0.828 1.00 14.04 H new ATOM 0 HB3 LYS A 23 -4.319 -8.945 -0.090 1.00 14.04 H new ATOM 0 HG2 LYS A 23 -3.871 -11.370 -0.843 1.00 11.24 H new ATOM 0 HG3 LYS A 23 -2.563 -11.411 0.323 1.00 11.24 H new ATOM 0 HD2 LYS A 23 -4.479 -12.395 1.407 1.00 3.51 H new ATOM 0 HD3 LYS A 23 -4.248 -10.820 2.141 1.00 3.51 H new ATOM 0 HE2 LYS A 23 -6.027 -9.867 0.673 1.00 11.13 H new ATOM 0 HE3 LYS A 23 -6.250 -11.432 -0.084 1.00 11.13 H new ATOM 0 HZ1 LYS A 23 -7.853 -11.577 1.479 1.00 20.42 H new ATOM 0 HZ2 LYS A 23 -6.574 -12.128 2.451 1.00 20.42 H new ATOM 0 HZ3 LYS A 23 -7.085 -10.512 2.557 1.00 20.42 H new ATOM 352 N LEU A 24 -1.480 -6.854 -0.835 1.00 63.31 N ATOM 353 CA LEU A 24 -1.187 -5.419 -1.017 1.00 10.20 C ATOM 354 C LEU A 24 -0.837 -5.109 -2.481 1.00 71.11 C ATOM 355 O LEU A 24 -1.317 -4.135 -3.023 1.00 43.45 O ATOM 356 CB LEU A 24 -0.019 -4.968 -0.098 1.00 24.41 C ATOM 357 CG LEU A 24 0.470 -3.490 -0.273 1.00 2.31 C ATOM 358 CD1 LEU A 24 -0.657 -2.475 0.011 1.00 11.23 C ATOM 359 CD2 LEU A 24 1.715 -3.214 0.591 1.00 44.00 C ATOM 0 H LEU A 24 -0.855 -7.318 -0.176 1.00 63.31 H new ATOM 0 HA LEU A 24 -2.086 -4.866 -0.744 1.00 10.20 H new ATOM 0 HB2 LEU A 24 -0.326 -5.106 0.939 1.00 24.41 H new ATOM 0 HB3 LEU A 24 0.828 -5.632 -0.271 1.00 24.41 H new ATOM 0 HG LEU A 24 0.755 -3.360 -1.317 1.00 2.31 H new ATOM 0 HD11 LEU A 24 -0.276 -1.462 -0.121 1.00 11.23 H new ATOM 0 HD12 LEU A 24 -1.483 -2.646 -0.680 1.00 11.23 H new ATOM 0 HD13 LEU A 24 -1.009 -2.599 1.035 1.00 11.23 H new ATOM 0 HD21 LEU A 24 2.034 -2.181 0.451 1.00 44.00 H new ATOM 0 HD22 LEU A 24 1.473 -3.380 1.641 1.00 44.00 H new ATOM 0 HD23 LEU A 24 2.520 -3.886 0.294 1.00 44.00 H new ATOM 371 N TRP A 25 0.005 -5.954 -3.091 1.00 2.21 N ATOM 372 CA TRP A 25 0.422 -5.820 -4.501 1.00 42.13 C ATOM 373 C TRP A 25 -0.797 -5.914 -5.445 1.00 64.35 C ATOM 374 O TRP A 25 -0.938 -5.112 -6.372 1.00 34.20 O ATOM 375 CB TRP A 25 1.459 -6.921 -4.823 1.00 13.44 C ATOM 376 CG TRP A 25 2.076 -6.842 -6.200 1.00 71.45 C ATOM 377 CD1 TRP A 25 3.165 -6.099 -6.581 1.00 42.21 C ATOM 378 CD2 TRP A 25 1.640 -7.537 -7.376 1.00 44.42 C ATOM 379 NE1 TRP A 25 3.429 -6.304 -7.910 1.00 11.41 N ATOM 380 CE2 TRP A 25 2.508 -7.179 -8.417 1.00 41.43 C ATOM 381 CE3 TRP A 25 0.601 -8.435 -7.642 1.00 22.13 C ATOM 382 CZ2 TRP A 25 2.368 -7.684 -9.703 1.00 33.31 C ATOM 383 CZ3 TRP A 25 0.462 -8.933 -8.922 1.00 61.21 C ATOM 384 CH2 TRP A 25 1.345 -8.558 -9.938 1.00 54.41 C ATOM 0 H TRP A 25 0.421 -6.757 -2.620 1.00 2.21 H new ATOM 0 HA TRP A 25 0.876 -4.841 -4.655 1.00 42.13 H new ATOM 0 HB2 TRP A 25 2.257 -6.874 -4.082 1.00 13.44 H new ATOM 0 HB3 TRP A 25 0.979 -7.893 -4.713 1.00 13.44 H new ATOM 0 HD1 TRP A 25 3.730 -5.449 -5.930 1.00 42.21 H new ATOM 0 HE1 TRP A 25 4.189 -5.874 -8.436 1.00 11.41 H new ATOM 0 HE3 TRP A 25 -0.081 -8.734 -6.859 1.00 22.13 H new ATOM 0 HZ2 TRP A 25 3.046 -7.395 -10.492 1.00 33.31 H new ATOM 0 HZ3 TRP A 25 -0.340 -9.622 -9.141 1.00 61.21 H new ATOM 0 HH2 TRP A 25 1.216 -8.967 -10.929 1.00 54.41 H new ATOM 395 N THR A 26 -1.669 -6.907 -5.164 1.00 2.25 N ATOM 396 CA THR A 26 -2.946 -7.112 -5.869 1.00 13.25 C ATOM 397 C THR A 26 -3.862 -5.870 -5.719 1.00 4.12 C ATOM 398 O THR A 26 -4.518 -5.458 -6.673 1.00 62.04 O ATOM 399 CB THR A 26 -3.667 -8.388 -5.311 1.00 63.04 C ATOM 400 OG1 THR A 26 -2.820 -9.540 -5.463 1.00 2.22 O ATOM 401 CG2 THR A 26 -5.015 -8.668 -5.999 1.00 71.24 C ATOM 0 H THR A 26 -1.500 -7.596 -4.431 1.00 2.25 H new ATOM 0 HA THR A 26 -2.737 -7.256 -6.929 1.00 13.25 H new ATOM 0 HB THR A 26 -3.868 -8.192 -4.258 1.00 63.04 H new ATOM 0 HG1 THR A 26 -2.112 -9.517 -4.786 1.00 2.22 H new ATOM 0 HG21 THR A 26 -5.464 -9.563 -5.569 1.00 71.24 H new ATOM 0 HG22 THR A 26 -5.683 -7.820 -5.850 1.00 71.24 H new ATOM 0 HG23 THR A 26 -4.854 -8.820 -7.066 1.00 71.24 H new ATOM 409 N LEU A 27 -3.844 -5.277 -4.511 1.00 24.23 N ATOM 410 CA LEU A 27 -4.626 -4.078 -4.139 1.00 55.04 C ATOM 411 C LEU A 27 -4.141 -2.817 -4.901 1.00 11.33 C ATOM 412 O LEU A 27 -4.946 -2.040 -5.426 1.00 2.13 O ATOM 413 CB LEU A 27 -4.498 -3.899 -2.592 1.00 43.31 C ATOM 414 CG LEU A 27 -5.070 -2.598 -1.969 1.00 42.42 C ATOM 415 CD1 LEU A 27 -6.538 -2.407 -2.355 1.00 12.35 C ATOM 416 CD2 LEU A 27 -4.878 -2.586 -0.430 1.00 43.15 C ATOM 0 H LEU A 27 -3.270 -5.627 -3.744 1.00 24.23 H new ATOM 0 HA LEU A 27 -5.671 -4.210 -4.419 1.00 55.04 H new ATOM 0 HB2 LEU A 27 -4.991 -4.745 -2.114 1.00 43.31 H new ATOM 0 HB3 LEU A 27 -3.441 -3.959 -2.333 1.00 43.31 H new ATOM 0 HG LEU A 27 -4.511 -1.754 -2.374 1.00 42.42 H new ATOM 0 HD11 LEU A 27 -6.916 -1.488 -1.906 1.00 12.35 H new ATOM 0 HD12 LEU A 27 -6.624 -2.343 -3.440 1.00 12.35 H new ATOM 0 HD13 LEU A 27 -7.122 -3.254 -1.995 1.00 12.35 H new ATOM 0 HD21 LEU A 27 -5.288 -1.663 -0.019 1.00 43.15 H new ATOM 0 HD22 LEU A 27 -5.396 -3.439 0.008 1.00 43.15 H new ATOM 0 HD23 LEU A 27 -3.815 -2.647 -0.195 1.00 43.15 H new ATOM 428 N VAL A 28 -2.819 -2.649 -4.927 1.00 12.50 N ATOM 429 CA VAL A 28 -2.111 -1.580 -5.655 1.00 41.35 C ATOM 430 C VAL A 28 -2.350 -1.684 -7.182 1.00 54.34 C ATOM 431 O VAL A 28 -2.456 -0.669 -7.885 1.00 31.11 O ATOM 432 CB VAL A 28 -0.574 -1.689 -5.294 1.00 62.25 C ATOM 433 CG1 VAL A 28 0.336 -0.862 -6.215 1.00 14.20 C ATOM 434 CG2 VAL A 28 -0.341 -1.296 -3.817 1.00 72.34 C ATOM 0 H VAL A 28 -2.184 -3.271 -4.427 1.00 12.50 H new ATOM 0 HA VAL A 28 -2.493 -0.604 -5.356 1.00 41.35 H new ATOM 0 HB VAL A 28 -0.298 -2.732 -5.449 1.00 62.25 H new ATOM 0 HG11 VAL A 28 1.374 -0.986 -5.907 1.00 14.20 H new ATOM 0 HG12 VAL A 28 0.219 -1.203 -7.244 1.00 14.20 H new ATOM 0 HG13 VAL A 28 0.061 0.191 -6.148 1.00 14.20 H new ATOM 0 HG21 VAL A 28 0.720 -1.376 -3.582 1.00 72.34 H new ATOM 0 HG22 VAL A 28 -0.672 -0.270 -3.657 1.00 72.34 H new ATOM 0 HG23 VAL A 28 -0.907 -1.965 -3.169 1.00 72.34 H new ATOM 444 N SER A 29 -2.466 -2.928 -7.663 1.00 54.12 N ATOM 445 CA SER A 29 -2.687 -3.244 -9.083 1.00 71.34 C ATOM 446 C SER A 29 -4.199 -3.317 -9.431 1.00 22.44 C ATOM 447 O SER A 29 -4.556 -3.475 -10.606 1.00 13.01 O ATOM 448 CB SER A 29 -1.964 -4.584 -9.416 1.00 51.23 C ATOM 449 OG SER A 29 -2.176 -4.989 -10.760 1.00 45.02 O ATOM 0 H SER A 29 -2.408 -3.756 -7.070 1.00 54.12 H new ATOM 0 HA SER A 29 -2.271 -2.443 -9.694 1.00 71.34 H new ATOM 0 HB2 SER A 29 -0.895 -4.472 -9.237 1.00 51.23 H new ATOM 0 HB3 SER A 29 -2.320 -5.364 -8.743 1.00 51.23 H new ATOM 0 HG SER A 29 -3.017 -4.608 -11.088 1.00 45.02 H new ATOM 455 N ASP A 30 -5.079 -3.196 -8.411 1.00 20.20 N ATOM 456 CA ASP A 30 -6.541 -3.363 -8.573 1.00 64.43 C ATOM 457 C ASP A 30 -7.192 -2.064 -9.103 1.00 61.31 C ATOM 458 O ASP A 30 -7.109 -1.017 -8.445 1.00 15.34 O ATOM 459 CB ASP A 30 -7.185 -3.786 -7.215 1.00 32.40 C ATOM 460 CG ASP A 30 -8.706 -4.063 -7.255 1.00 1.11 C ATOM 461 OD1 ASP A 30 -9.246 -4.425 -8.323 1.00 31.33 O ATOM 462 OD2 ASP A 30 -9.367 -3.971 -6.199 1.00 2.11 O ATOM 0 H ASP A 30 -4.796 -2.980 -7.455 1.00 20.20 H new ATOM 0 HA ASP A 30 -6.719 -4.149 -9.307 1.00 64.43 H new ATOM 0 HB2 ASP A 30 -6.680 -4.683 -6.857 1.00 32.40 H new ATOM 0 HB3 ASP A 30 -6.996 -3.001 -6.483 1.00 32.40 H new ATOM 467 N PRO A 31 -7.859 -2.114 -10.309 1.00 51.11 N ATOM 468 CA PRO A 31 -8.573 -0.944 -10.871 1.00 1.04 C ATOM 469 C PRO A 31 -9.870 -0.596 -10.099 1.00 32.41 C ATOM 470 O PRO A 31 -10.356 0.536 -10.200 1.00 74.52 O ATOM 471 CB PRO A 31 -8.866 -1.371 -12.328 1.00 13.32 C ATOM 472 CG PRO A 31 -8.955 -2.869 -12.271 1.00 45.24 C ATOM 473 CD PRO A 31 -7.944 -3.296 -11.222 1.00 32.54 C ATOM 0 HA PRO A 31 -7.982 -0.031 -10.801 1.00 1.04 H new ATOM 0 HB2 PRO A 31 -9.795 -0.932 -12.691 1.00 13.32 H new ATOM 0 HB3 PRO A 31 -8.075 -1.046 -13.003 1.00 13.32 H new ATOM 0 HG2 PRO A 31 -9.960 -3.192 -12.002 1.00 45.24 H new ATOM 0 HG3 PRO A 31 -8.726 -3.313 -13.240 1.00 45.24 H new ATOM 0 HD2 PRO A 31 -8.272 -4.190 -10.691 1.00 32.54 H new ATOM 0 HD3 PRO A 31 -6.977 -3.527 -11.669 1.00 32.54 H new ATOM 481 N ASP A 32 -10.429 -1.568 -9.335 1.00 33.41 N ATOM 482 CA ASP A 32 -11.633 -1.335 -8.499 1.00 3.24 C ATOM 483 C ASP A 32 -11.308 -0.349 -7.362 1.00 22.02 C ATOM 484 O ASP A 32 -12.079 0.574 -7.086 1.00 23.32 O ATOM 485 CB ASP A 32 -12.180 -2.670 -7.917 1.00 53.45 C ATOM 486 CG ASP A 32 -13.420 -2.489 -7.003 1.00 42.52 C ATOM 487 OD1 ASP A 32 -14.557 -2.460 -7.524 1.00 4.51 O ATOM 488 OD2 ASP A 32 -13.266 -2.385 -5.758 1.00 53.14 O ATOM 0 H ASP A 32 -10.065 -2.519 -9.281 1.00 33.41 H new ATOM 0 HA ASP A 32 -12.407 -0.903 -9.133 1.00 3.24 H new ATOM 0 HB2 ASP A 32 -12.440 -3.336 -8.740 1.00 53.45 H new ATOM 0 HB3 ASP A 32 -11.389 -3.160 -7.349 1.00 53.45 H new ATOM 493 N THR A 33 -10.117 -0.516 -6.765 1.00 0.14 N ATOM 494 CA THR A 33 -9.681 0.267 -5.593 1.00 4.21 C ATOM 495 C THR A 33 -8.736 1.420 -6.008 1.00 33.40 C ATOM 496 O THR A 33 -8.250 2.152 -5.145 1.00 64.22 O ATOM 497 CB THR A 33 -8.970 -0.652 -4.549 1.00 44.41 C ATOM 498 OG1 THR A 33 -7.895 -1.359 -5.181 1.00 24.35 O ATOM 499 CG2 THR A 33 -9.936 -1.668 -3.908 1.00 25.13 C ATOM 0 H THR A 33 -9.427 -1.198 -7.080 1.00 0.14 H new ATOM 0 HA THR A 33 -10.572 0.699 -5.137 1.00 4.21 H new ATOM 0 HB THR A 33 -8.591 -0.007 -3.756 1.00 44.41 H new ATOM 0 HG1 THR A 33 -7.072 -0.831 -5.114 1.00 24.35 H new ATOM 0 HG21 THR A 33 -9.393 -2.283 -3.190 1.00 25.13 H new ATOM 0 HG22 THR A 33 -10.738 -1.135 -3.397 1.00 25.13 H new ATOM 0 HG23 THR A 33 -10.361 -2.305 -4.683 1.00 25.13 H new ATOM 507 N ASP A 34 -8.538 1.585 -7.341 1.00 54.55 N ATOM 508 CA ASP A 34 -7.638 2.603 -7.962 1.00 45.24 C ATOM 509 C ASP A 34 -7.935 4.040 -7.477 1.00 53.14 C ATOM 510 O ASP A 34 -7.034 4.891 -7.415 1.00 44.42 O ATOM 511 CB ASP A 34 -7.773 2.495 -9.510 1.00 41.55 C ATOM 512 CG ASP A 34 -7.024 3.569 -10.324 1.00 14.51 C ATOM 513 OD1 ASP A 34 -5.788 3.501 -10.426 1.00 35.12 O ATOM 514 OD2 ASP A 34 -7.678 4.470 -10.896 1.00 22.24 O ATOM 0 H ASP A 34 -9.009 1.003 -8.034 1.00 54.55 H new ATOM 0 HA ASP A 34 -6.613 2.395 -7.655 1.00 45.24 H new ATOM 0 HB2 ASP A 34 -7.413 1.514 -9.820 1.00 41.55 H new ATOM 0 HB3 ASP A 34 -8.831 2.542 -9.768 1.00 41.55 H new ATOM 519 N ALA A 35 -9.206 4.280 -7.118 1.00 3.13 N ATOM 520 CA ALA A 35 -9.685 5.582 -6.630 1.00 42.31 C ATOM 521 C ALA A 35 -9.013 6.001 -5.296 1.00 4.03 C ATOM 522 O ALA A 35 -8.715 7.180 -5.101 1.00 2.03 O ATOM 523 CB ALA A 35 -11.212 5.545 -6.504 1.00 41.32 C ATOM 0 H ALA A 35 -9.936 3.569 -7.159 1.00 3.13 H new ATOM 0 HA ALA A 35 -9.402 6.343 -7.357 1.00 42.31 H new ATOM 0 HB1 ALA A 35 -11.571 6.509 -6.142 1.00 41.32 H new ATOM 0 HB2 ALA A 35 -11.653 5.336 -7.479 1.00 41.32 H new ATOM 0 HB3 ALA A 35 -11.500 4.764 -5.801 1.00 41.32 H new ATOM 529 N LEU A 36 -8.756 5.030 -4.390 1.00 4.32 N ATOM 530 CA LEU A 36 -8.180 5.313 -3.045 1.00 72.15 C ATOM 531 C LEU A 36 -6.775 4.713 -2.868 1.00 54.13 C ATOM 532 O LEU A 36 -6.115 5.000 -1.869 1.00 5.14 O ATOM 533 CB LEU A 36 -9.120 4.790 -1.926 1.00 62.04 C ATOM 534 CG LEU A 36 -10.532 5.451 -1.855 1.00 42.12 C ATOM 535 CD1 LEU A 36 -11.363 4.847 -0.709 1.00 4.33 C ATOM 536 CD2 LEU A 36 -10.436 6.989 -1.723 1.00 60.33 C ATOM 0 H LEU A 36 -8.937 4.041 -4.562 1.00 4.32 H new ATOM 0 HA LEU A 36 -8.087 6.396 -2.966 1.00 72.15 H new ATOM 0 HB2 LEU A 36 -9.250 3.716 -2.060 1.00 62.04 H new ATOM 0 HB3 LEU A 36 -8.625 4.934 -0.966 1.00 62.04 H new ATOM 0 HG LEU A 36 -11.043 5.237 -2.794 1.00 42.12 H new ATOM 0 HD11 LEU A 36 -12.343 5.324 -0.680 1.00 4.33 H new ATOM 0 HD12 LEU A 36 -11.485 3.776 -0.873 1.00 4.33 H new ATOM 0 HD13 LEU A 36 -10.850 5.013 0.239 1.00 4.33 H new ATOM 0 HD21 LEU A 36 -11.439 7.413 -1.676 1.00 60.33 H new ATOM 0 HD22 LEU A 36 -9.892 7.243 -0.813 1.00 60.33 H new ATOM 0 HD23 LEU A 36 -9.909 7.396 -2.586 1.00 60.33 H new ATOM 548 N ILE A 37 -6.349 3.840 -3.796 1.00 51.34 N ATOM 549 CA ILE A 37 -4.985 3.274 -3.793 1.00 13.32 C ATOM 550 C ILE A 37 -4.642 2.712 -5.177 1.00 35.15 C ATOM 551 O ILE A 37 -5.411 1.946 -5.762 1.00 13.20 O ATOM 552 CB ILE A 37 -4.787 2.168 -2.689 1.00 73.34 C ATOM 553 CG1 ILE A 37 -3.322 1.595 -2.699 1.00 25.30 C ATOM 554 CG2 ILE A 37 -5.848 1.049 -2.819 1.00 22.43 C ATOM 555 CD1 ILE A 37 -2.990 0.618 -1.575 1.00 22.20 C ATOM 0 H ILE A 37 -6.932 3.508 -4.564 1.00 51.34 H new ATOM 0 HA ILE A 37 -4.303 4.089 -3.550 1.00 13.32 H new ATOM 0 HB ILE A 37 -4.934 2.641 -1.718 1.00 73.34 H new ATOM 0 HG12 ILE A 37 -3.153 1.095 -3.653 1.00 25.30 H new ATOM 0 HG13 ILE A 37 -2.624 2.430 -2.649 1.00 25.30 H new ATOM 0 HG21 ILE A 37 -5.685 0.301 -2.043 1.00 22.43 H new ATOM 0 HG22 ILE A 37 -6.844 1.477 -2.706 1.00 22.43 H new ATOM 0 HG23 ILE A 37 -5.764 0.580 -3.799 1.00 22.43 H new ATOM 0 HD11 ILE A 37 -1.957 0.285 -1.676 1.00 22.20 H new ATOM 0 HD12 ILE A 37 -3.119 1.113 -0.613 1.00 22.20 H new ATOM 0 HD13 ILE A 37 -3.656 -0.243 -1.632 1.00 22.20 H new ATOM 567 N CYS A 38 -3.480 3.106 -5.681 1.00 24.04 N ATOM 568 CA CYS A 38 -2.968 2.655 -6.972 1.00 25.43 C ATOM 569 C CYS A 38 -1.444 2.726 -6.980 1.00 51.02 C ATOM 570 O CYS A 38 -0.843 3.381 -6.124 1.00 50.52 O ATOM 571 CB CYS A 38 -3.553 3.540 -8.086 1.00 72.51 C ATOM 572 SG CYS A 38 -3.400 5.312 -7.769 1.00 32.10 S ATOM 0 H CYS A 38 -2.858 3.756 -5.200 1.00 24.04 H new ATOM 0 HA CYS A 38 -3.266 1.621 -7.144 1.00 25.43 H new ATOM 0 HB2 CYS A 38 -3.052 3.304 -9.025 1.00 72.51 H new ATOM 0 HB3 CYS A 38 -4.607 3.294 -8.217 1.00 72.51 H new ATOM 0 HG CYS A 38 -3.917 5.976 -8.760 1.00 32.10 H new ATOM 578 N TRP A 39 -0.839 2.043 -7.960 1.00 14.51 N ATOM 579 CA TRP A 39 0.611 2.114 -8.222 1.00 23.42 C ATOM 580 C TRP A 39 1.005 3.519 -8.699 1.00 32.20 C ATOM 581 O TRP A 39 0.205 4.215 -9.333 1.00 43.22 O ATOM 582 CB TRP A 39 1.039 1.036 -9.267 1.00 2.01 C ATOM 583 CG TRP A 39 0.106 0.897 -10.459 1.00 3.01 C ATOM 584 CD1 TRP A 39 -0.928 0.009 -10.583 1.00 31.53 C ATOM 585 CD2 TRP A 39 0.113 1.663 -11.679 1.00 52.13 C ATOM 586 NE1 TRP A 39 -1.559 0.178 -11.783 1.00 33.13 N ATOM 587 CE2 TRP A 39 -0.943 1.185 -12.476 1.00 71.14 C ATOM 588 CE3 TRP A 39 0.910 2.701 -12.175 1.00 1.22 C ATOM 589 CZ2 TRP A 39 -1.227 1.714 -13.729 1.00 70.34 C ATOM 590 CZ3 TRP A 39 0.625 3.230 -13.418 1.00 54.52 C ATOM 591 CH2 TRP A 39 -0.437 2.730 -14.185 1.00 71.10 C ATOM 0 H TRP A 39 -1.339 1.423 -8.597 1.00 14.51 H new ATOM 0 HA TRP A 39 1.136 1.909 -7.289 1.00 23.42 H new ATOM 0 HB2 TRP A 39 2.037 1.280 -9.631 1.00 2.01 H new ATOM 0 HB3 TRP A 39 1.110 0.071 -8.765 1.00 2.01 H new ATOM 0 HD1 TRP A 39 -1.206 -0.722 -9.838 1.00 31.53 H new ATOM 0 HE1 TRP A 39 -2.361 -0.360 -12.110 1.00 33.13 H new ATOM 0 HE3 TRP A 39 1.736 3.083 -11.594 1.00 1.22 H new ATOM 0 HZ2 TRP A 39 -2.045 1.334 -14.323 1.00 70.34 H new ATOM 0 HZ3 TRP A 39 1.227 4.039 -13.804 1.00 54.52 H new ATOM 0 HH2 TRP A 39 -0.634 3.158 -15.157 1.00 71.10 H new ATOM 602 N SER A 40 2.226 3.931 -8.353 1.00 32.04 N ATOM 603 CA SER A 40 2.839 5.157 -8.870 1.00 35.11 C ATOM 604 C SER A 40 3.310 4.963 -10.330 1.00 44.34 C ATOM 605 O SER A 40 3.623 3.830 -10.726 1.00 5.34 O ATOM 606 CB SER A 40 4.036 5.524 -7.970 1.00 65.11 C ATOM 607 OG SER A 40 3.635 5.680 -6.621 1.00 51.31 O ATOM 0 H SER A 40 2.822 3.420 -7.702 1.00 32.04 H new ATOM 0 HA SER A 40 2.103 5.961 -8.862 1.00 35.11 H new ATOM 0 HB2 SER A 40 4.797 4.747 -8.038 1.00 65.11 H new ATOM 0 HB3 SER A 40 4.492 6.448 -8.326 1.00 65.11 H new ATOM 0 HG SER A 40 4.422 5.633 -6.038 1.00 51.31 H new ATOM 613 N PRO A 41 3.388 6.065 -11.151 1.00 0.54 N ATOM 614 CA PRO A 41 4.033 6.013 -12.495 1.00 32.34 C ATOM 615 C PRO A 41 5.529 5.620 -12.389 1.00 40.22 C ATOM 616 O PRO A 41 6.096 5.042 -13.321 1.00 22.31 O ATOM 617 CB PRO A 41 3.839 7.453 -13.049 1.00 11.21 C ATOM 618 CG PRO A 41 3.585 8.309 -11.836 1.00 20.12 C ATOM 619 CD PRO A 41 2.834 7.422 -10.863 1.00 12.12 C ATOM 0 HA PRO A 41 3.598 5.258 -13.150 1.00 32.34 H new ATOM 0 HB2 PRO A 41 4.723 7.789 -13.591 1.00 11.21 H new ATOM 0 HB3 PRO A 41 3.002 7.498 -13.746 1.00 11.21 H new ATOM 0 HG2 PRO A 41 4.521 8.663 -11.403 1.00 20.12 H new ATOM 0 HG3 PRO A 41 3.000 9.192 -12.094 1.00 20.12 H new ATOM 0 HD2 PRO A 41 3.009 7.718 -9.829 1.00 12.12 H new ATOM 0 HD3 PRO A 41 1.757 7.462 -11.028 1.00 12.12 H new ATOM 627 N SER A 42 6.134 5.952 -11.225 1.00 11.02 N ATOM 628 CA SER A 42 7.497 5.538 -10.834 1.00 24.22 C ATOM 629 C SER A 42 7.643 3.994 -10.786 1.00 53.02 C ATOM 630 O SER A 42 8.723 3.453 -11.033 1.00 21.42 O ATOM 631 CB SER A 42 7.814 6.149 -9.448 1.00 64.34 C ATOM 632 OG SER A 42 7.639 7.557 -9.466 1.00 54.02 O ATOM 0 H SER A 42 5.676 6.527 -10.518 1.00 11.02 H new ATOM 0 HA SER A 42 8.202 5.900 -11.582 1.00 24.22 H new ATOM 0 HB2 SER A 42 7.164 5.707 -8.693 1.00 64.34 H new ATOM 0 HB3 SER A 42 8.839 5.909 -9.166 1.00 64.34 H new ATOM 0 HG SER A 42 7.843 7.923 -8.580 1.00 54.02 H new ATOM 638 N GLY A 43 6.537 3.312 -10.429 1.00 34.01 N ATOM 639 CA GLY A 43 6.472 1.847 -10.376 1.00 43.44 C ATOM 640 C GLY A 43 7.108 1.214 -9.140 1.00 2.01 C ATOM 641 O GLY A 43 6.856 0.040 -8.857 1.00 31.11 O ATOM 0 H GLY A 43 5.663 3.768 -10.169 1.00 34.01 H new ATOM 0 HA2 GLY A 43 5.426 1.543 -10.423 1.00 43.44 H new ATOM 0 HA3 GLY A 43 6.961 1.445 -11.263 1.00 43.44 H new ATOM 645 N ASN A 44 7.910 1.999 -8.397 1.00 25.44 N ATOM 646 CA ASN A 44 8.664 1.531 -7.208 1.00 13.34 C ATOM 647 C ASN A 44 7.981 2.002 -5.913 1.00 53.01 C ATOM 648 O ASN A 44 8.597 2.023 -4.839 1.00 52.44 O ATOM 649 CB ASN A 44 10.139 2.033 -7.270 1.00 63.44 C ATOM 650 CG ASN A 44 10.264 3.557 -7.406 1.00 25.00 C ATOM 651 OD1 ASN A 44 10.361 4.039 -8.628 1.00 3.10 O flip ATOM 652 ND2 ASN A 44 10.278 4.295 -6.421 1.00 72.32 N flip ATOM 0 H ASN A 44 8.058 2.987 -8.603 1.00 25.44 H new ATOM 0 HA ASN A 44 8.671 0.441 -7.209 1.00 13.34 H new ATOM 0 HB2 ASN A 44 10.661 1.713 -6.368 1.00 63.44 H new ATOM 0 HB3 ASN A 44 10.640 1.559 -8.114 1.00 63.44 H new ATOM 0 HD21 ASN A 44 10.201 3.897 -5.485 1.00 72.32 H new ATOM 0 HD22 ASN A 44 10.366 5.304 -6.541 1.00 72.32 H new ATOM 659 N SER A 45 6.691 2.334 -6.023 1.00 50.51 N ATOM 660 CA SER A 45 5.913 2.946 -4.944 1.00 14.10 C ATOM 661 C SER A 45 4.412 2.880 -5.280 1.00 64.35 C ATOM 662 O SER A 45 4.033 2.463 -6.386 1.00 2.05 O ATOM 663 CB SER A 45 6.385 4.409 -4.727 1.00 62.42 C ATOM 664 OG SER A 45 6.443 5.144 -5.942 1.00 52.30 O ATOM 0 H SER A 45 6.152 2.183 -6.875 1.00 50.51 H new ATOM 0 HA SER A 45 6.072 2.398 -4.015 1.00 14.10 H new ATOM 0 HB2 SER A 45 5.707 4.908 -4.035 1.00 62.42 H new ATOM 0 HB3 SER A 45 7.370 4.405 -4.260 1.00 62.42 H new ATOM 0 HG SER A 45 6.602 6.091 -5.744 1.00 52.30 H new ATOM 670 N PHE A 46 3.561 3.281 -4.316 1.00 62.42 N ATOM 671 CA PHE A 46 2.099 3.349 -4.518 1.00 34.01 C ATOM 672 C PHE A 46 1.494 4.502 -3.704 1.00 34.25 C ATOM 673 O PHE A 46 1.930 4.760 -2.583 1.00 3.04 O ATOM 674 CB PHE A 46 1.421 1.998 -4.155 1.00 31.51 C ATOM 675 CG PHE A 46 1.567 1.527 -2.699 1.00 32.01 C ATOM 676 CD1 PHE A 46 2.694 0.815 -2.287 1.00 33.21 C ATOM 677 CD2 PHE A 46 0.559 1.761 -1.755 1.00 42.24 C ATOM 678 CE1 PHE A 46 2.813 0.359 -0.987 1.00 3.52 C ATOM 679 CE2 PHE A 46 0.680 1.299 -0.457 1.00 54.04 C ATOM 680 CZ PHE A 46 1.806 0.600 -0.074 1.00 30.11 C ATOM 0 H PHE A 46 3.863 3.565 -3.384 1.00 62.42 H new ATOM 0 HA PHE A 46 1.912 3.542 -5.574 1.00 34.01 H new ATOM 0 HB2 PHE A 46 0.358 2.078 -4.383 1.00 31.51 H new ATOM 0 HB3 PHE A 46 1.830 1.225 -4.806 1.00 31.51 H new ATOM 0 HD1 PHE A 46 3.486 0.617 -2.994 1.00 33.21 H new ATOM 0 HD2 PHE A 46 -0.325 2.310 -2.045 1.00 42.24 H new ATOM 0 HE1 PHE A 46 3.695 -0.186 -0.686 1.00 3.52 H new ATOM 0 HE2 PHE A 46 -0.108 1.486 0.258 1.00 54.04 H new ATOM 0 HZ PHE A 46 1.900 0.241 0.940 1.00 30.11 H new ATOM 690 N HIS A 47 0.465 5.162 -4.275 1.00 4.31 N ATOM 691 CA HIS A 47 -0.222 6.311 -3.651 1.00 31.44 C ATOM 692 C HIS A 47 -1.541 5.848 -3.014 1.00 33.13 C ATOM 693 O HIS A 47 -2.183 4.922 -3.511 1.00 72.20 O ATOM 694 CB HIS A 47 -0.519 7.407 -4.708 1.00 21.31 C ATOM 695 CG HIS A 47 0.703 8.049 -5.308 1.00 41.34 C ATOM 696 ND1 HIS A 47 1.287 9.177 -4.789 1.00 43.12 N ATOM 697 CD2 HIS A 47 1.432 7.726 -6.396 1.00 34.01 C ATOM 698 CE1 HIS A 47 2.316 9.522 -5.526 1.00 11.00 C ATOM 699 NE2 HIS A 47 2.435 8.657 -6.509 1.00 12.14 N ATOM 0 H HIS A 47 0.085 4.911 -5.188 1.00 4.31 H new ATOM 0 HA HIS A 47 0.430 6.727 -2.883 1.00 31.44 H new ATOM 0 HB2 HIS A 47 -1.113 6.968 -5.510 1.00 21.31 H new ATOM 0 HB3 HIS A 47 -1.130 8.182 -4.246 1.00 21.31 H new ATOM 0 HD1 HIS A 47 0.969 9.672 -3.956 1.00 43.12 H new ATOM 0 HD2 HIS A 47 1.259 6.889 -7.057 1.00 34.01 H new ATOM 0 HE1 HIS A 47 2.958 10.374 -5.354 1.00 11.00 H new ATOM 708 N VAL A 48 -1.930 6.522 -1.920 1.00 32.10 N ATOM 709 CA VAL A 48 -3.194 6.290 -1.196 1.00 1.04 C ATOM 710 C VAL A 48 -3.889 7.654 -1.003 1.00 64.12 C ATOM 711 O VAL A 48 -3.226 8.662 -0.772 1.00 14.33 O ATOM 712 CB VAL A 48 -2.941 5.598 0.209 1.00 75.11 C ATOM 713 CG1 VAL A 48 -4.243 5.434 1.024 1.00 10.01 C ATOM 714 CG2 VAL A 48 -2.219 4.237 0.053 1.00 73.42 C ATOM 0 H VAL A 48 -1.363 7.260 -1.503 1.00 32.10 H new ATOM 0 HA VAL A 48 -3.825 5.616 -1.775 1.00 1.04 H new ATOM 0 HB VAL A 48 -2.287 6.267 0.768 1.00 75.11 H new ATOM 0 HG11 VAL A 48 -4.018 4.956 1.977 1.00 10.01 H new ATOM 0 HG12 VAL A 48 -4.685 6.414 1.205 1.00 10.01 H new ATOM 0 HG13 VAL A 48 -4.946 4.816 0.466 1.00 10.01 H new ATOM 0 HG21 VAL A 48 -2.063 3.793 1.036 1.00 73.42 H new ATOM 0 HG22 VAL A 48 -2.830 3.569 -0.554 1.00 73.42 H new ATOM 0 HG23 VAL A 48 -1.255 4.390 -0.433 1.00 73.42 H new ATOM 724 N PHE A 49 -5.218 7.678 -1.138 1.00 31.32 N ATOM 725 CA PHE A 49 -6.039 8.891 -0.949 1.00 73.41 C ATOM 726 C PHE A 49 -7.101 8.617 0.102 1.00 1.14 C ATOM 727 O PHE A 49 -7.602 7.485 0.184 1.00 61.33 O ATOM 728 CB PHE A 49 -6.718 9.300 -2.277 1.00 14.13 C ATOM 729 CG PHE A 49 -5.733 9.731 -3.352 1.00 41.22 C ATOM 730 CD1 PHE A 49 -5.167 8.795 -4.219 1.00 33.52 C ATOM 731 CD2 PHE A 49 -5.357 11.067 -3.479 1.00 14.03 C ATOM 732 CE1 PHE A 49 -4.261 9.185 -5.180 1.00 3.30 C ATOM 733 CE2 PHE A 49 -4.454 11.456 -4.442 1.00 72.32 C ATOM 734 CZ PHE A 49 -3.907 10.517 -5.290 1.00 62.22 C ATOM 0 H PHE A 49 -5.765 6.853 -1.383 1.00 31.32 H new ATOM 0 HA PHE A 49 -5.394 9.707 -0.623 1.00 73.41 H new ATOM 0 HB2 PHE A 49 -7.306 8.461 -2.649 1.00 14.13 H new ATOM 0 HB3 PHE A 49 -7.414 10.116 -2.084 1.00 14.13 H new ATOM 0 HD1 PHE A 49 -5.442 7.754 -4.135 1.00 33.52 H new ATOM 0 HD2 PHE A 49 -5.779 11.806 -2.814 1.00 14.03 H new ATOM 0 HE1 PHE A 49 -3.828 8.453 -5.846 1.00 3.30 H new ATOM 0 HE2 PHE A 49 -4.174 12.495 -4.533 1.00 72.32 H new ATOM 0 HZ PHE A 49 -3.198 10.824 -6.045 1.00 62.22 H new ATOM 744 N ASP A 50 -7.453 9.677 0.865 1.00 44.41 N ATOM 745 CA ASP A 50 -8.483 9.638 1.917 1.00 21.32 C ATOM 746 C ASP A 50 -8.286 8.427 2.848 1.00 53.34 C ATOM 747 O ASP A 50 -9.056 7.482 2.803 1.00 24.12 O ATOM 748 CB ASP A 50 -9.911 9.676 1.288 1.00 2.44 C ATOM 749 CG ASP A 50 -10.241 11.043 0.656 1.00 63.42 C ATOM 750 OD1 ASP A 50 -9.666 11.382 -0.401 1.00 34.34 O ATOM 751 OD2 ASP A 50 -11.057 11.799 1.226 1.00 10.21 O ATOM 0 H ASP A 50 -7.020 10.595 0.762 1.00 44.41 H new ATOM 0 HA ASP A 50 -8.377 10.528 2.537 1.00 21.32 H new ATOM 0 HB2 ASP A 50 -9.990 8.899 0.528 1.00 2.44 H new ATOM 0 HB3 ASP A 50 -10.649 9.447 2.056 1.00 2.44 H new ATOM 756 N GLN A 51 -7.206 8.483 3.653 1.00 4.35 N ATOM 757 CA GLN A 51 -6.762 7.384 4.547 1.00 44.35 C ATOM 758 C GLN A 51 -7.895 6.843 5.455 1.00 35.44 C ATOM 759 O GLN A 51 -7.896 5.664 5.804 1.00 41.40 O ATOM 760 CB GLN A 51 -5.562 7.855 5.412 1.00 12.34 C ATOM 761 CG GLN A 51 -4.299 8.247 4.610 1.00 73.53 C ATOM 762 CD GLN A 51 -3.123 8.651 5.505 1.00 53.51 C ATOM 763 OE1 GLN A 51 -2.304 7.681 5.894 1.00 13.00 O flip ATOM 764 NE2 GLN A 51 -2.954 9.823 5.851 1.00 12.45 N flip ATOM 0 H GLN A 51 -6.605 9.305 3.704 1.00 4.35 H new ATOM 0 HA GLN A 51 -6.456 6.559 3.904 1.00 44.35 H new ATOM 0 HB2 GLN A 51 -5.876 8.711 6.009 1.00 12.34 H new ATOM 0 HB3 GLN A 51 -5.300 7.059 6.109 1.00 12.34 H new ATOM 0 HG2 GLN A 51 -3.999 7.408 3.982 1.00 73.53 H new ATOM 0 HG3 GLN A 51 -4.541 9.074 3.943 1.00 73.53 H new ATOM 0 HE21 GLN A 51 -3.601 10.546 5.536 1.00 12.45 H new ATOM 0 HE22 GLN A 51 -2.168 10.069 6.452 1.00 12.45 H new ATOM 773 N GLY A 52 -8.843 7.726 5.824 1.00 50.12 N ATOM 774 CA GLY A 52 -10.014 7.345 6.613 1.00 60.44 C ATOM 775 C GLY A 52 -11.013 6.497 5.816 1.00 55.44 C ATOM 776 O GLY A 52 -11.497 5.478 6.314 1.00 33.52 O ATOM 0 H GLY A 52 -8.813 8.716 5.582 1.00 50.12 H new ATOM 0 HA2 GLY A 52 -9.690 6.787 7.491 1.00 60.44 H new ATOM 0 HA3 GLY A 52 -10.513 8.245 6.973 1.00 60.44 H new ATOM 780 N GLN A 53 -11.312 6.928 4.569 1.00 71.44 N ATOM 781 CA GLN A 53 -12.267 6.235 3.667 1.00 2.02 C ATOM 782 C GLN A 53 -11.670 4.896 3.184 1.00 64.24 C ATOM 783 O GLN A 53 -12.359 3.875 3.120 1.00 32.41 O ATOM 784 CB GLN A 53 -12.602 7.152 2.458 1.00 62.22 C ATOM 785 CG GLN A 53 -13.635 6.579 1.456 1.00 42.11 C ATOM 786 CD GLN A 53 -15.030 6.370 2.047 1.00 55.31 C ATOM 787 OE1 GLN A 53 -15.463 7.097 2.944 1.00 4.33 O ATOM 788 NE2 GLN A 53 -15.748 5.375 1.555 1.00 13.53 N ATOM 0 H GLN A 53 -10.899 7.765 4.158 1.00 71.44 H new ATOM 0 HA GLN A 53 -13.186 6.021 4.213 1.00 2.02 H new ATOM 0 HB2 GLN A 53 -12.978 8.102 2.837 1.00 62.22 H new ATOM 0 HB3 GLN A 53 -11.679 7.366 1.919 1.00 62.22 H new ATOM 0 HG2 GLN A 53 -13.711 7.254 0.603 1.00 42.11 H new ATOM 0 HG3 GLN A 53 -13.267 5.626 1.076 1.00 42.11 H new ATOM 0 HE21 GLN A 53 -15.366 4.789 0.813 1.00 13.53 H new ATOM 0 HE22 GLN A 53 -16.684 5.194 1.917 1.00 13.53 H new ATOM 797 N PHE A 54 -10.375 4.951 2.844 1.00 73.31 N ATOM 798 CA PHE A 54 -9.532 3.795 2.500 1.00 62.50 C ATOM 799 C PHE A 54 -9.566 2.742 3.622 1.00 72.15 C ATOM 800 O PHE A 54 -9.770 1.556 3.369 1.00 70.50 O ATOM 801 CB PHE A 54 -8.077 4.311 2.235 1.00 45.21 C ATOM 802 CG PHE A 54 -6.986 3.240 2.108 1.00 11.11 C ATOM 803 CD1 PHE A 54 -6.699 2.639 0.886 1.00 10.14 C ATOM 804 CD2 PHE A 54 -6.236 2.846 3.219 1.00 43.11 C ATOM 805 CE1 PHE A 54 -5.706 1.678 0.788 1.00 0.40 C ATOM 806 CE2 PHE A 54 -5.250 1.888 3.111 1.00 41.31 C ATOM 807 CZ PHE A 54 -4.988 1.303 1.897 1.00 44.51 C ATOM 0 H PHE A 54 -9.866 5.834 2.799 1.00 73.31 H new ATOM 0 HA PHE A 54 -9.910 3.307 1.602 1.00 62.50 H new ATOM 0 HB2 PHE A 54 -8.085 4.901 1.318 1.00 45.21 H new ATOM 0 HB3 PHE A 54 -7.801 4.986 3.045 1.00 45.21 H new ATOM 0 HD1 PHE A 54 -7.256 2.925 0.006 1.00 10.14 H new ATOM 0 HD2 PHE A 54 -6.432 3.300 4.179 1.00 43.11 H new ATOM 0 HE1 PHE A 54 -5.495 1.220 -0.167 1.00 0.40 H new ATOM 0 HE2 PHE A 54 -4.683 1.597 3.983 1.00 41.31 H new ATOM 0 HZ PHE A 54 -4.219 0.549 1.814 1.00 44.51 H new ATOM 817 N ALA A 55 -9.372 3.198 4.860 1.00 21.22 N ATOM 818 CA ALA A 55 -9.400 2.322 6.033 1.00 11.14 C ATOM 819 C ALA A 55 -10.800 1.705 6.256 1.00 35.32 C ATOM 820 O ALA A 55 -10.922 0.563 6.695 1.00 53.22 O ATOM 821 CB ALA A 55 -8.934 3.096 7.271 1.00 42.14 C ATOM 0 H ALA A 55 -9.192 4.178 5.078 1.00 21.22 H new ATOM 0 HA ALA A 55 -8.715 1.493 5.855 1.00 11.14 H new ATOM 0 HB1 ALA A 55 -8.957 2.439 8.141 1.00 42.14 H new ATOM 0 HB2 ALA A 55 -7.917 3.455 7.114 1.00 42.14 H new ATOM 0 HB3 ALA A 55 -9.596 3.945 7.440 1.00 42.14 H new ATOM 827 N LYS A 56 -11.833 2.485 5.919 1.00 21.32 N ATOM 828 CA LYS A 56 -13.248 2.112 6.083 1.00 40.41 C ATOM 829 C LYS A 56 -13.673 0.946 5.151 1.00 54.13 C ATOM 830 O LYS A 56 -14.332 0.007 5.612 1.00 61.52 O ATOM 831 CB LYS A 56 -14.120 3.400 5.878 1.00 24.52 C ATOM 832 CG LYS A 56 -15.654 3.200 5.683 1.00 3.03 C ATOM 833 CD LYS A 56 -16.086 3.204 4.192 1.00 15.44 C ATOM 834 CE LYS A 56 -17.582 2.918 3.992 1.00 32.51 C ATOM 835 NZ LYS A 56 -18.440 3.934 4.670 1.00 5.33 N ATOM 0 H LYS A 56 -11.709 3.414 5.516 1.00 21.32 H new ATOM 0 HA LYS A 56 -13.405 1.726 7.090 1.00 40.41 H new ATOM 0 HB2 LYS A 56 -13.971 4.049 6.741 1.00 24.52 H new ATOM 0 HB3 LYS A 56 -13.736 3.933 5.008 1.00 24.52 H new ATOM 0 HG2 LYS A 56 -15.952 2.255 6.138 1.00 3.03 H new ATOM 0 HG3 LYS A 56 -16.187 3.990 6.211 1.00 3.03 H new ATOM 0 HD2 LYS A 56 -15.847 4.173 3.754 1.00 15.44 H new ATOM 0 HD3 LYS A 56 -15.505 2.457 3.651 1.00 15.44 H new ATOM 0 HE2 LYS A 56 -17.809 2.904 2.926 1.00 32.51 H new ATOM 0 HE3 LYS A 56 -17.817 1.927 4.381 1.00 32.51 H new ATOM 0 HZ1 LYS A 56 -19.439 3.744 4.455 1.00 5.33 H new ATOM 0 HZ2 LYS A 56 -18.292 3.883 5.698 1.00 5.33 H new ATOM 0 HZ3 LYS A 56 -18.187 4.884 4.330 1.00 5.33 H new ATOM 849 N GLU A 57 -13.323 1.014 3.847 1.00 63.42 N ATOM 850 CA GLU A 57 -13.806 0.018 2.834 1.00 34.04 C ATOM 851 C GLU A 57 -12.699 -0.902 2.257 1.00 43.42 C ATOM 852 O GLU A 57 -12.943 -2.091 2.020 1.00 41.13 O ATOM 853 CB GLU A 57 -14.547 0.751 1.680 1.00 51.21 C ATOM 854 CG GLU A 57 -13.733 1.867 0.997 1.00 72.11 C ATOM 855 CD GLU A 57 -14.426 2.478 -0.231 1.00 15.33 C ATOM 856 OE1 GLU A 57 -15.574 2.947 -0.102 1.00 71.43 O ATOM 857 OE2 GLU A 57 -13.826 2.511 -1.322 1.00 61.33 O ATOM 0 H GLU A 57 -12.714 1.737 3.463 1.00 63.42 H new ATOM 0 HA GLU A 57 -14.488 -0.643 3.369 1.00 34.04 H new ATOM 0 HB2 GLU A 57 -14.834 0.017 0.927 1.00 51.21 H new ATOM 0 HB3 GLU A 57 -15.468 1.181 2.074 1.00 51.21 H new ATOM 0 HG2 GLU A 57 -13.537 2.657 1.722 1.00 72.11 H new ATOM 0 HG3 GLU A 57 -12.766 1.465 0.694 1.00 72.11 H new ATOM 864 N VAL A 58 -11.499 -0.358 2.052 1.00 65.31 N ATOM 865 CA VAL A 58 -10.412 -1.034 1.305 1.00 65.45 C ATOM 866 C VAL A 58 -9.644 -2.036 2.201 1.00 64.41 C ATOM 867 O VAL A 58 -9.312 -3.158 1.772 1.00 25.22 O ATOM 868 CB VAL A 58 -9.421 0.038 0.732 1.00 13.33 C ATOM 869 CG1 VAL A 58 -8.270 -0.612 -0.037 1.00 41.34 C ATOM 870 CG2 VAL A 58 -10.158 1.077 -0.146 1.00 13.41 C ATOM 0 H VAL A 58 -11.242 0.567 2.397 1.00 65.31 H new ATOM 0 HA VAL A 58 -10.862 -1.596 0.487 1.00 65.45 H new ATOM 0 HB VAL A 58 -8.991 0.566 1.583 1.00 13.33 H new ATOM 0 HG11 VAL A 58 -7.604 0.162 -0.419 1.00 41.34 H new ATOM 0 HG12 VAL A 58 -7.714 -1.272 0.629 1.00 41.34 H new ATOM 0 HG13 VAL A 58 -8.670 -1.190 -0.870 1.00 41.34 H new ATOM 0 HG21 VAL A 58 -9.442 1.805 -0.527 1.00 13.41 H new ATOM 0 HG22 VAL A 58 -10.640 0.570 -0.982 1.00 13.41 H new ATOM 0 HG23 VAL A 58 -10.912 1.589 0.452 1.00 13.41 H new ATOM 880 N LEU A 59 -9.353 -1.612 3.448 1.00 2.45 N ATOM 881 CA LEU A 59 -8.634 -2.456 4.421 1.00 55.11 C ATOM 882 C LEU A 59 -9.459 -3.698 4.864 1.00 73.22 C ATOM 883 O LEU A 59 -8.883 -4.768 4.939 1.00 75.40 O ATOM 884 CB LEU A 59 -8.132 -1.627 5.641 1.00 52.41 C ATOM 885 CG LEU A 59 -6.969 -0.633 5.344 1.00 32.43 C ATOM 886 CD1 LEU A 59 -6.497 0.065 6.627 1.00 1.03 C ATOM 887 CD2 LEU A 59 -5.794 -1.345 4.634 1.00 14.05 C ATOM 0 H LEU A 59 -9.605 -0.690 3.804 1.00 2.45 H new ATOM 0 HA LEU A 59 -7.755 -2.842 3.905 1.00 55.11 H new ATOM 0 HB2 LEU A 59 -8.973 -1.064 6.046 1.00 52.41 H new ATOM 0 HB3 LEU A 59 -7.806 -2.318 6.418 1.00 52.41 H new ATOM 0 HG LEU A 59 -7.351 0.133 4.669 1.00 32.43 H new ATOM 0 HD11 LEU A 59 -5.685 0.753 6.390 1.00 1.03 H new ATOM 0 HD12 LEU A 59 -7.326 0.620 7.065 1.00 1.03 H new ATOM 0 HD13 LEU A 59 -6.144 -0.681 7.338 1.00 1.03 H new ATOM 0 HD21 LEU A 59 -4.997 -0.627 4.439 1.00 14.05 H new ATOM 0 HD22 LEU A 59 -5.415 -2.144 5.271 1.00 14.05 H new ATOM 0 HD23 LEU A 59 -6.141 -1.767 3.691 1.00 14.05 H new ATOM 899 N PRO A 60 -10.799 -3.604 5.191 1.00 11.55 N ATOM 900 CA PRO A 60 -11.640 -4.820 5.429 1.00 21.11 C ATOM 901 C PRO A 60 -11.831 -5.701 4.167 1.00 34.04 C ATOM 902 O PRO A 60 -12.279 -6.848 4.280 1.00 61.40 O ATOM 903 CB PRO A 60 -12.996 -4.245 5.928 1.00 1.44 C ATOM 904 CG PRO A 60 -13.015 -2.828 5.452 1.00 24.00 C ATOM 905 CD PRO A 60 -11.575 -2.365 5.468 1.00 64.10 C ATOM 0 HA PRO A 60 -11.165 -5.493 6.143 1.00 21.11 H new ATOM 0 HB2 PRO A 60 -13.836 -4.809 5.523 1.00 1.44 H new ATOM 0 HB3 PRO A 60 -13.071 -4.297 7.014 1.00 1.44 H new ATOM 0 HG2 PRO A 60 -13.436 -2.759 4.449 1.00 24.00 H new ATOM 0 HG3 PRO A 60 -13.632 -2.206 6.101 1.00 24.00 H new ATOM 0 HD2 PRO A 60 -11.392 -1.601 4.712 1.00 64.10 H new ATOM 0 HD3 PRO A 60 -11.305 -1.931 6.431 1.00 64.10 H new ATOM 913 N LYS A 61 -11.521 -5.155 2.970 1.00 61.21 N ATOM 914 CA LYS A 61 -11.583 -5.921 1.709 1.00 33.15 C ATOM 915 C LYS A 61 -10.399 -6.909 1.607 1.00 33.22 C ATOM 916 O LYS A 61 -10.605 -8.126 1.506 1.00 14.43 O ATOM 917 CB LYS A 61 -11.611 -4.965 0.484 1.00 22.34 C ATOM 918 CG LYS A 61 -11.740 -5.678 -0.884 1.00 21.44 C ATOM 919 CD LYS A 61 -11.732 -4.690 -2.077 1.00 33.31 C ATOM 920 CE LYS A 61 -11.844 -5.398 -3.437 1.00 55.45 C ATOM 921 NZ LYS A 61 -11.753 -4.444 -4.576 1.00 1.21 N ATOM 0 H LYS A 61 -11.225 -4.186 2.853 1.00 61.21 H new ATOM 0 HA LYS A 61 -12.507 -6.499 1.709 1.00 33.15 H new ATOM 0 HB2 LYS A 61 -12.445 -4.272 0.599 1.00 22.34 H new ATOM 0 HB3 LYS A 61 -10.699 -4.368 0.484 1.00 22.34 H new ATOM 0 HG2 LYS A 61 -10.919 -6.386 -0.999 1.00 21.44 H new ATOM 0 HG3 LYS A 61 -12.664 -6.256 -0.902 1.00 21.44 H new ATOM 0 HD2 LYS A 61 -12.560 -3.989 -1.968 1.00 33.31 H new ATOM 0 HD3 LYS A 61 -10.813 -4.104 -2.052 1.00 33.31 H new ATOM 0 HE2 LYS A 61 -11.052 -6.142 -3.524 1.00 55.45 H new ATOM 0 HE3 LYS A 61 -12.792 -5.934 -3.489 1.00 55.45 H new ATOM 0 HZ1 LYS A 61 -12.320 -4.799 -5.372 1.00 1.21 H new ATOM 0 HZ2 LYS A 61 -12.115 -3.515 -4.280 1.00 1.21 H new ATOM 0 HZ3 LYS A 61 -10.760 -4.351 -4.872 1.00 1.21 H new ATOM 935 N TYR A 62 -9.161 -6.376 1.635 1.00 4.32 N ATOM 936 CA TYR A 62 -7.932 -7.199 1.457 1.00 22.12 C ATOM 937 C TYR A 62 -7.361 -7.718 2.777 1.00 34.54 C ATOM 938 O TYR A 62 -6.491 -8.596 2.780 1.00 1.20 O ATOM 939 CB TYR A 62 -6.845 -6.406 0.677 1.00 11.33 C ATOM 940 CG TYR A 62 -7.115 -6.357 -0.825 1.00 53.35 C ATOM 941 CD1 TYR A 62 -8.021 -5.451 -1.358 1.00 63.24 C ATOM 942 CD2 TYR A 62 -6.487 -7.243 -1.698 1.00 42.21 C ATOM 943 CE1 TYR A 62 -8.286 -5.415 -2.711 1.00 74.44 C ATOM 944 CE2 TYR A 62 -6.749 -7.218 -3.049 1.00 31.22 C ATOM 945 CZ TYR A 62 -7.651 -6.301 -3.556 1.00 32.41 C ATOM 946 OH TYR A 62 -7.922 -6.279 -4.907 1.00 45.34 O ATOM 0 H TYR A 62 -8.978 -5.383 1.778 1.00 4.32 H new ATOM 0 HA TYR A 62 -8.231 -8.072 0.876 1.00 22.12 H new ATOM 0 HB2 TYR A 62 -6.794 -5.389 1.066 1.00 11.33 H new ATOM 0 HB3 TYR A 62 -5.871 -6.864 0.852 1.00 11.33 H new ATOM 0 HD1 TYR A 62 -8.528 -4.761 -0.701 1.00 63.24 H new ATOM 0 HD2 TYR A 62 -5.782 -7.962 -1.308 1.00 42.21 H new ATOM 0 HE1 TYR A 62 -8.988 -4.696 -3.107 1.00 74.44 H new ATOM 0 HE2 TYR A 62 -6.252 -7.912 -3.711 1.00 31.22 H new ATOM 0 HH TYR A 62 -8.482 -5.503 -5.116 1.00 45.34 H new ATOM 956 N PHE A 63 -7.807 -7.152 3.891 1.00 72.12 N ATOM 957 CA PHE A 63 -7.334 -7.535 5.238 1.00 54.12 C ATOM 958 C PHE A 63 -8.555 -7.719 6.162 1.00 52.43 C ATOM 959 O PHE A 63 -9.704 -7.660 5.698 1.00 23.25 O ATOM 960 CB PHE A 63 -6.338 -6.457 5.771 1.00 0.34 C ATOM 961 CG PHE A 63 -5.185 -6.137 4.811 1.00 21.43 C ATOM 962 CD1 PHE A 63 -4.160 -7.062 4.588 1.00 12.33 C ATOM 963 CD2 PHE A 63 -5.149 -4.934 4.099 1.00 25.42 C ATOM 964 CE1 PHE A 63 -3.140 -6.787 3.690 1.00 32.31 C ATOM 965 CE2 PHE A 63 -4.129 -4.665 3.199 1.00 12.13 C ATOM 966 CZ PHE A 63 -3.126 -5.591 2.995 1.00 64.05 C ATOM 0 H PHE A 63 -8.509 -6.412 3.898 1.00 72.12 H new ATOM 0 HA PHE A 63 -6.794 -8.481 5.205 1.00 54.12 H new ATOM 0 HB2 PHE A 63 -6.889 -5.540 5.977 1.00 0.34 H new ATOM 0 HB3 PHE A 63 -5.922 -6.799 6.719 1.00 0.34 H new ATOM 0 HD1 PHE A 63 -4.163 -8.001 5.121 1.00 12.33 H new ATOM 0 HD2 PHE A 63 -5.928 -4.202 4.253 1.00 25.42 H new ATOM 0 HE1 PHE A 63 -2.353 -7.510 3.532 1.00 32.31 H new ATOM 0 HE2 PHE A 63 -4.119 -3.731 2.657 1.00 12.13 H new ATOM 0 HZ PHE A 63 -2.332 -5.382 2.294 1.00 64.05 H new ATOM 976 N LYS A 64 -8.312 -7.956 7.461 1.00 73.51 N ATOM 977 CA LYS A 64 -9.377 -8.237 8.445 1.00 73.40 C ATOM 978 C LYS A 64 -9.354 -7.164 9.549 1.00 2.21 C ATOM 979 O LYS A 64 -9.453 -7.469 10.742 1.00 61.34 O ATOM 980 CB LYS A 64 -9.205 -9.678 9.029 1.00 33.14 C ATOM 981 CG LYS A 64 -9.322 -10.812 7.979 1.00 4.11 C ATOM 982 CD LYS A 64 -9.246 -12.231 8.594 1.00 74.12 C ATOM 983 CE LYS A 64 -10.408 -12.537 9.554 1.00 3.45 C ATOM 984 NZ LYS A 64 -11.741 -12.384 8.905 1.00 63.11 N ATOM 0 H LYS A 64 -7.374 -7.959 7.861 1.00 73.51 H new ATOM 0 HA LYS A 64 -10.351 -8.198 7.957 1.00 73.40 H new ATOM 0 HB2 LYS A 64 -8.231 -9.747 9.513 1.00 33.14 H new ATOM 0 HB3 LYS A 64 -9.957 -9.836 9.802 1.00 33.14 H new ATOM 0 HG2 LYS A 64 -10.266 -10.706 7.445 1.00 4.11 H new ATOM 0 HG3 LYS A 64 -8.525 -10.700 7.244 1.00 4.11 H new ATOM 0 HD2 LYS A 64 -9.242 -12.968 7.791 1.00 74.12 H new ATOM 0 HD3 LYS A 64 -8.303 -12.338 9.130 1.00 74.12 H new ATOM 0 HE2 LYS A 64 -10.306 -13.555 9.930 1.00 3.45 H new ATOM 0 HE3 LYS A 64 -10.348 -11.871 10.415 1.00 3.45 H new ATOM 0 HZ1 LYS A 64 -12.482 -12.730 9.548 1.00 63.11 H new ATOM 0 HZ2 LYS A 64 -11.910 -11.380 8.691 1.00 63.11 H new ATOM 0 HZ3 LYS A 64 -11.763 -12.935 8.023 1.00 63.11 H new ATOM 998 N HIS A 65 -9.264 -5.890 9.121 1.00 34.14 N ATOM 999 CA HIS A 65 -9.221 -4.722 10.025 1.00 35.44 C ATOM 1000 C HIS A 65 -9.647 -3.462 9.259 1.00 2.42 C ATOM 1001 O HIS A 65 -9.612 -3.435 8.031 1.00 22.35 O ATOM 1002 CB HIS A 65 -7.802 -4.518 10.634 1.00 75.34 C ATOM 1003 CG HIS A 65 -6.717 -4.212 9.626 1.00 54.31 C ATOM 1004 ND1 HIS A 65 -5.976 -5.036 8.853 1.00 1.32 N flip ATOM 1005 CD2 HIS A 65 -6.275 -2.933 9.336 1.00 30.52 C flip ATOM 1006 CE1 HIS A 65 -5.113 -4.259 8.124 1.00 33.52 C flip ATOM 1007 NE2 HIS A 65 -5.313 -2.998 8.436 1.00 4.52 N flip ATOM 0 H HIS A 65 -9.219 -5.640 8.133 1.00 34.14 H new ATOM 0 HA HIS A 65 -9.912 -4.906 10.848 1.00 35.44 H new ATOM 0 HB2 HIS A 65 -7.846 -3.704 11.358 1.00 75.34 H new ATOM 0 HB3 HIS A 65 -7.525 -5.418 11.183 1.00 75.34 H new ATOM 0 HD1 HIS A 65 -6.046 -6.053 8.818 1.00 1.32 H new ATOM 0 HD2 HIS A 65 -6.658 -2.025 9.777 1.00 30.52 H new ATOM 0 HE1 HIS A 65 -4.388 -4.623 7.411 1.00 33.52 H new ATOM 1016 N ASN A 66 -10.022 -2.417 10.006 1.00 50.40 N ATOM 1017 CA ASN A 66 -10.398 -1.102 9.444 1.00 33.45 C ATOM 1018 C ASN A 66 -9.431 -0.012 9.949 1.00 2.40 C ATOM 1019 O ASN A 66 -9.607 1.162 9.650 1.00 73.55 O ATOM 1020 CB ASN A 66 -11.859 -0.721 9.824 1.00 72.43 C ATOM 1021 CG ASN A 66 -12.894 -1.790 9.478 1.00 75.35 C ATOM 1022 OD1 ASN A 66 -13.573 -1.631 8.356 1.00 31.05 O flip ATOM 1023 ND2 ASN A 66 -13.102 -2.736 10.233 1.00 30.05 N flip ATOM 0 H ASN A 66 -10.075 -2.454 11.024 1.00 50.40 H new ATOM 0 HA ASN A 66 -10.333 -1.173 8.358 1.00 33.45 H new ATOM 0 HB2 ASN A 66 -11.904 -0.521 10.894 1.00 72.43 H new ATOM 0 HB3 ASN A 66 -12.125 0.205 9.315 1.00 72.43 H new ATOM 0 HD21 ASN A 66 -12.561 -2.831 11.092 1.00 30.05 H new ATOM 0 HD22 ASN A 66 -13.816 -3.427 10.001 1.00 30.05 H new ATOM 1030 N ASN A 67 -8.422 -0.415 10.740 1.00 72.10 N ATOM 1031 CA ASN A 67 -7.421 0.512 11.313 1.00 62.41 C ATOM 1032 C ASN A 67 -6.301 0.801 10.294 1.00 32.14 C ATOM 1033 O ASN A 67 -5.541 -0.107 9.921 1.00 61.11 O ATOM 1034 CB ASN A 67 -6.841 -0.088 12.627 1.00 35.33 C ATOM 1035 CG ASN A 67 -5.763 0.777 13.304 1.00 51.30 C ATOM 1036 OD1 ASN A 67 -5.720 1.996 13.145 1.00 42.41 O ATOM 1037 ND2 ASN A 67 -4.892 0.152 14.078 1.00 2.54 N ATOM 0 H ASN A 67 -8.274 -1.390 11.002 1.00 72.10 H new ATOM 0 HA ASN A 67 -7.907 1.459 11.548 1.00 62.41 H new ATOM 0 HB2 ASN A 67 -7.658 -0.244 13.331 1.00 35.33 H new ATOM 0 HB3 ASN A 67 -6.417 -1.068 12.408 1.00 35.33 H new ATOM 0 HD21 ASN A 67 -4.165 0.682 14.558 1.00 2.54 H new ATOM 0 HD22 ASN A 67 -4.947 -0.860 14.195 1.00 2.54 H new ATOM 1044 N MET A 68 -6.216 2.079 9.865 1.00 42.20 N ATOM 1045 CA MET A 68 -5.180 2.562 8.928 1.00 11.42 C ATOM 1046 C MET A 68 -3.792 2.508 9.584 1.00 40.21 C ATOM 1047 O MET A 68 -2.816 2.113 8.948 1.00 62.04 O ATOM 1048 CB MET A 68 -5.486 4.010 8.445 1.00 21.14 C ATOM 1049 CG MET A 68 -4.476 4.564 7.436 1.00 24.54 C ATOM 1050 SD MET A 68 -4.337 3.492 5.993 1.00 52.14 S ATOM 1051 CE MET A 68 -3.287 4.462 4.927 1.00 30.04 C ATOM 0 H MET A 68 -6.867 2.807 10.160 1.00 42.20 H new ATOM 0 HA MET A 68 -5.187 1.904 8.059 1.00 11.42 H new ATOM 0 HB2 MET A 68 -6.479 4.028 7.995 1.00 21.14 H new ATOM 0 HB3 MET A 68 -5.516 4.671 9.311 1.00 21.14 H new ATOM 0 HG2 MET A 68 -4.782 5.562 7.122 1.00 24.54 H new ATOM 0 HG3 MET A 68 -3.501 4.665 7.912 1.00 24.54 H new ATOM 0 HE1 MET A 68 -2.695 3.798 4.297 1.00 30.04 H new ATOM 0 HE2 MET A 68 -3.902 5.106 4.298 1.00 30.04 H new ATOM 0 HE3 MET A 68 -2.621 5.076 5.533 1.00 30.04 H new ATOM 1061 N ALA A 69 -3.741 2.876 10.873 1.00 72.35 N ATOM 1062 CA ALA A 69 -2.494 2.947 11.646 1.00 52.22 C ATOM 1063 C ALA A 69 -1.786 1.575 11.732 1.00 65.04 C ATOM 1064 O ALA A 69 -0.556 1.511 11.738 1.00 11.11 O ATOM 1065 CB ALA A 69 -2.795 3.506 13.040 1.00 33.33 C ATOM 0 H ALA A 69 -4.569 3.134 11.410 1.00 72.35 H new ATOM 0 HA ALA A 69 -1.805 3.616 11.131 1.00 52.22 H new ATOM 0 HB1 ALA A 69 -1.872 3.560 13.617 1.00 33.33 H new ATOM 0 HB2 ALA A 69 -3.224 4.504 12.947 1.00 33.33 H new ATOM 0 HB3 ALA A 69 -3.503 2.852 13.549 1.00 33.33 H new ATOM 1071 N SER A 70 -2.586 0.489 11.802 1.00 35.24 N ATOM 1072 CA SER A 70 -2.086 -0.902 11.806 1.00 53.45 C ATOM 1073 C SER A 70 -1.426 -1.269 10.462 1.00 53.15 C ATOM 1074 O SER A 70 -0.369 -1.917 10.428 1.00 64.42 O ATOM 1075 CB SER A 70 -3.253 -1.868 12.089 1.00 54.40 C ATOM 1076 OG SER A 70 -2.806 -3.204 12.213 1.00 62.24 O ATOM 0 H SER A 70 -3.602 0.554 11.858 1.00 35.24 H new ATOM 0 HA SER A 70 -1.331 -0.988 12.588 1.00 53.45 H new ATOM 0 HB2 SER A 70 -3.761 -1.567 13.006 1.00 54.40 H new ATOM 0 HB3 SER A 70 -3.984 -1.802 11.283 1.00 54.40 H new ATOM 0 HG SER A 70 -3.571 -3.789 12.394 1.00 62.24 H new ATOM 1082 N PHE A 71 -2.090 -0.847 9.366 1.00 44.40 N ATOM 1083 CA PHE A 71 -1.634 -1.066 7.978 1.00 33.44 C ATOM 1084 C PHE A 71 -0.260 -0.404 7.754 1.00 52.31 C ATOM 1085 O PHE A 71 0.686 -1.048 7.281 1.00 11.23 O ATOM 1086 CB PHE A 71 -2.710 -0.498 7.005 1.00 53.42 C ATOM 1087 CG PHE A 71 -2.316 -0.437 5.527 1.00 51.21 C ATOM 1088 CD1 PHE A 71 -2.184 -1.599 4.769 1.00 42.50 C ATOM 1089 CD2 PHE A 71 -2.097 0.792 4.890 1.00 12.43 C ATOM 1090 CE1 PHE A 71 -1.844 -1.540 3.431 1.00 73.51 C ATOM 1091 CE2 PHE A 71 -1.756 0.848 3.551 1.00 41.41 C ATOM 1092 CZ PHE A 71 -1.630 -0.318 2.823 1.00 24.11 C ATOM 0 H PHE A 71 -2.971 -0.337 9.422 1.00 44.40 H new ATOM 0 HA PHE A 71 -1.512 -2.132 7.786 1.00 33.44 H new ATOM 0 HB2 PHE A 71 -3.610 -1.107 7.095 1.00 53.42 H new ATOM 0 HB3 PHE A 71 -2.972 0.508 7.332 1.00 53.42 H new ATOM 0 HD1 PHE A 71 -2.350 -2.560 5.234 1.00 42.50 H new ATOM 0 HD2 PHE A 71 -2.196 1.708 5.453 1.00 12.43 H new ATOM 0 HE1 PHE A 71 -1.745 -2.451 2.859 1.00 73.51 H new ATOM 0 HE2 PHE A 71 -1.588 1.803 3.075 1.00 41.41 H new ATOM 0 HZ PHE A 71 -1.364 -0.275 1.777 1.00 24.11 H new ATOM 1102 N VAL A 72 -0.170 0.874 8.157 1.00 51.04 N ATOM 1103 CA VAL A 72 1.054 1.686 8.067 1.00 33.21 C ATOM 1104 C VAL A 72 2.172 1.101 8.969 1.00 32.44 C ATOM 1105 O VAL A 72 3.344 1.100 8.580 1.00 64.01 O ATOM 1106 CB VAL A 72 0.750 3.179 8.464 1.00 3.30 C ATOM 1107 CG1 VAL A 72 2.010 4.068 8.397 1.00 70.21 C ATOM 1108 CG2 VAL A 72 -0.386 3.773 7.592 1.00 61.00 C ATOM 0 H VAL A 72 -0.958 1.380 8.561 1.00 51.04 H new ATOM 0 HA VAL A 72 1.405 1.664 7.035 1.00 33.21 H new ATOM 0 HB VAL A 72 0.415 3.166 9.501 1.00 3.30 H new ATOM 0 HG11 VAL A 72 1.751 5.088 8.679 1.00 70.21 H new ATOM 0 HG12 VAL A 72 2.764 3.682 9.083 1.00 70.21 H new ATOM 0 HG13 VAL A 72 2.406 4.062 7.382 1.00 70.21 H new ATOM 0 HG21 VAL A 72 -0.572 4.805 7.891 1.00 61.00 H new ATOM 0 HG22 VAL A 72 -0.091 3.746 6.543 1.00 61.00 H new ATOM 0 HG23 VAL A 72 -1.294 3.186 7.729 1.00 61.00 H new ATOM 1118 N ARG A 73 1.781 0.564 10.153 1.00 73.34 N ATOM 1119 CA ARG A 73 2.721 -0.027 11.137 1.00 34.21 C ATOM 1120 C ARG A 73 3.496 -1.211 10.522 1.00 0.23 C ATOM 1121 O ARG A 73 4.712 -1.335 10.719 1.00 34.22 O ATOM 1122 CB ARG A 73 1.963 -0.481 12.422 1.00 72.33 C ATOM 1123 CG ARG A 73 2.873 -1.018 13.555 1.00 50.05 C ATOM 1124 CD ARG A 73 2.094 -1.445 14.817 1.00 34.35 C ATOM 1125 NE ARG A 73 1.395 -0.314 15.464 1.00 12.11 N ATOM 1126 CZ ARG A 73 1.225 -0.147 16.794 1.00 64.14 C ATOM 1127 NH1 ARG A 73 1.699 -1.034 17.674 1.00 22.03 N ATOM 1128 NH2 ARG A 73 0.601 0.939 17.238 1.00 0.53 N ATOM 0 H ARG A 73 0.806 0.529 10.451 1.00 73.34 H new ATOM 0 HA ARG A 73 3.441 0.743 11.414 1.00 34.21 H new ATOM 0 HB2 ARG A 73 1.388 0.362 12.805 1.00 72.33 H new ATOM 0 HB3 ARG A 73 1.248 -1.257 12.150 1.00 72.33 H new ATOM 0 HG2 ARG A 73 3.441 -1.870 13.182 1.00 50.05 H new ATOM 0 HG3 ARG A 73 3.595 -0.248 13.826 1.00 50.05 H new ATOM 0 HD2 ARG A 73 1.367 -2.211 14.548 1.00 34.35 H new ATOM 0 HD3 ARG A 73 2.784 -1.896 15.530 1.00 34.35 H new ATOM 0 HE ARG A 73 1.007 0.404 14.852 1.00 12.11 H new ATOM 0 HH11 ARG A 73 2.202 -1.859 17.346 1.00 22.03 H new ATOM 0 HH12 ARG A 73 1.558 -0.886 18.673 1.00 22.03 H new ATOM 0 HH21 ARG A 73 0.256 1.635 16.577 1.00 0.53 H new ATOM 0 HH22 ARG A 73 0.467 1.076 18.240 1.00 0.53 H new ATOM 1142 N GLN A 74 2.777 -2.048 9.750 1.00 70.03 N ATOM 1143 CA GLN A 74 3.371 -3.192 9.036 1.00 2.22 C ATOM 1144 C GLN A 74 4.391 -2.713 7.994 1.00 54.04 C ATOM 1145 O GLN A 74 5.510 -3.234 7.917 1.00 3.44 O ATOM 1146 CB GLN A 74 2.271 -4.038 8.344 1.00 4.54 C ATOM 1147 CG GLN A 74 1.231 -4.653 9.296 1.00 12.50 C ATOM 1148 CD GLN A 74 1.863 -5.464 10.420 1.00 40.52 C ATOM 1149 OE1 GLN A 74 2.128 -4.953 11.512 1.00 0.54 O ATOM 1150 NE2 GLN A 74 2.151 -6.719 10.146 1.00 12.11 N ATOM 0 H GLN A 74 1.772 -1.950 9.605 1.00 70.03 H new ATOM 0 HA GLN A 74 3.884 -3.814 9.770 1.00 2.22 H new ATOM 0 HB2 GLN A 74 1.752 -3.410 7.620 1.00 4.54 H new ATOM 0 HB3 GLN A 74 2.750 -4.842 7.784 1.00 4.54 H new ATOM 0 HG2 GLN A 74 0.624 -3.857 9.726 1.00 12.50 H new ATOM 0 HG3 GLN A 74 0.558 -5.294 8.726 1.00 12.50 H new ATOM 0 HE21 GLN A 74 1.917 -7.108 9.233 1.00 12.11 H new ATOM 0 HE22 GLN A 74 2.608 -7.302 10.847 1.00 12.11 H new ATOM 1159 N LEU A 75 3.993 -1.684 7.227 1.00 12.54 N ATOM 1160 CA LEU A 75 4.802 -1.113 6.139 1.00 4.43 C ATOM 1161 C LEU A 75 6.119 -0.507 6.665 1.00 42.23 C ATOM 1162 O LEU A 75 7.157 -0.665 6.032 1.00 44.31 O ATOM 1163 CB LEU A 75 3.952 -0.072 5.368 1.00 70.24 C ATOM 1164 CG LEU A 75 2.692 -0.664 4.660 1.00 50.13 C ATOM 1165 CD1 LEU A 75 1.805 0.439 4.076 1.00 63.11 C ATOM 1166 CD2 LEU A 75 3.092 -1.684 3.576 1.00 64.00 C ATOM 0 H LEU A 75 3.092 -1.221 7.347 1.00 12.54 H new ATOM 0 HA LEU A 75 5.090 -1.909 5.453 1.00 4.43 H new ATOM 0 HB2 LEU A 75 3.632 0.704 6.063 1.00 70.24 H new ATOM 0 HB3 LEU A 75 4.581 0.410 4.620 1.00 70.24 H new ATOM 0 HG LEU A 75 2.108 -1.188 5.417 1.00 50.13 H new ATOM 0 HD11 LEU A 75 0.938 -0.010 3.591 1.00 63.11 H new ATOM 0 HD12 LEU A 75 1.472 1.100 4.876 1.00 63.11 H new ATOM 0 HD13 LEU A 75 2.373 1.013 3.344 1.00 63.11 H new ATOM 0 HD21 LEU A 75 2.195 -2.080 3.100 1.00 64.00 H new ATOM 0 HD22 LEU A 75 3.714 -1.194 2.827 1.00 64.00 H new ATOM 0 HD23 LEU A 75 3.650 -2.501 4.033 1.00 64.00 H new ATOM 1178 N ASN A 76 6.069 0.145 7.845 1.00 15.12 N ATOM 1179 CA ASN A 76 7.279 0.650 8.535 1.00 15.34 C ATOM 1180 C ASN A 76 8.239 -0.499 8.937 1.00 43.03 C ATOM 1181 O ASN A 76 9.463 -0.309 8.931 1.00 0.10 O ATOM 1182 CB ASN A 76 6.911 1.516 9.773 1.00 22.44 C ATOM 1183 CG ASN A 76 6.405 2.920 9.411 1.00 13.32 C ATOM 1184 OD1 ASN A 76 7.198 3.830 9.160 1.00 73.43 O ATOM 1185 ND2 ASN A 76 5.102 3.129 9.427 1.00 54.14 N ATOM 0 H ASN A 76 5.200 0.336 8.344 1.00 15.12 H new ATOM 0 HA ASN A 76 7.804 1.285 7.822 1.00 15.34 H new ATOM 0 HB2 ASN A 76 6.145 1.001 10.352 1.00 22.44 H new ATOM 0 HB3 ASN A 76 7.787 1.609 10.415 1.00 22.44 H new ATOM 0 HD21 ASN A 76 4.732 4.059 9.229 1.00 54.14 H new ATOM 0 HD22 ASN A 76 4.465 2.361 9.637 1.00 54.14 H new ATOM 1192 N MET A 77 7.686 -1.692 9.269 1.00 31.31 N ATOM 1193 CA MET A 77 8.514 -2.900 9.530 1.00 52.34 C ATOM 1194 C MET A 77 9.168 -3.398 8.223 1.00 11.04 C ATOM 1195 O MET A 77 10.300 -3.877 8.240 1.00 35.25 O ATOM 1196 CB MET A 77 7.699 -4.060 10.169 1.00 51.30 C ATOM 1197 CG MET A 77 7.116 -3.788 11.560 1.00 21.33 C ATOM 1198 SD MET A 77 6.535 -5.299 12.374 1.00 31.31 S ATOM 1199 CE MET A 77 5.445 -6.014 11.138 1.00 73.42 C ATOM 0 H MET A 77 6.682 -1.845 9.362 1.00 31.31 H new ATOM 0 HA MET A 77 9.282 -2.600 10.244 1.00 52.34 H new ATOM 0 HB2 MET A 77 6.879 -4.314 9.497 1.00 51.30 H new ATOM 0 HB3 MET A 77 8.343 -4.937 10.232 1.00 51.30 H new ATOM 0 HG2 MET A 77 7.874 -3.312 12.182 1.00 21.33 H new ATOM 0 HG3 MET A 77 6.288 -3.084 11.473 1.00 21.33 H new ATOM 0 HE1 MET A 77 4.971 -6.907 11.544 1.00 73.42 H new ATOM 0 HE2 MET A 77 4.679 -5.288 10.865 1.00 73.42 H new ATOM 0 HE3 MET A 77 6.023 -6.281 10.253 1.00 73.42 H new ATOM 1209 N TYR A 78 8.442 -3.261 7.093 1.00 52.44 N ATOM 1210 CA TYR A 78 8.936 -3.668 5.754 1.00 24.25 C ATOM 1211 C TYR A 78 9.965 -2.655 5.194 1.00 12.22 C ATOM 1212 O TYR A 78 10.736 -2.982 4.280 1.00 43.42 O ATOM 1213 CB TYR A 78 7.755 -3.806 4.763 1.00 74.24 C ATOM 1214 CG TYR A 78 6.812 -4.991 5.010 1.00 40.24 C ATOM 1215 CD1 TYR A 78 7.264 -6.303 4.883 1.00 60.11 C ATOM 1216 CD2 TYR A 78 5.466 -4.799 5.332 1.00 4.41 C ATOM 1217 CE1 TYR A 78 6.410 -7.372 5.075 1.00 21.20 C ATOM 1218 CE2 TYR A 78 4.618 -5.864 5.533 1.00 52.15 C ATOM 1219 CZ TYR A 78 5.090 -7.144 5.400 1.00 10.55 C ATOM 1220 OH TYR A 78 4.236 -8.204 5.585 1.00 11.41 O ATOM 0 H TYR A 78 7.501 -2.867 7.080 1.00 52.44 H new ATOM 0 HA TYR A 78 9.432 -4.632 5.868 1.00 24.25 H new ATOM 0 HB2 TYR A 78 7.169 -2.887 4.795 1.00 74.24 H new ATOM 0 HB3 TYR A 78 8.160 -3.892 3.754 1.00 74.24 H new ATOM 0 HD1 TYR A 78 8.298 -6.487 4.631 1.00 60.11 H new ATOM 0 HD2 TYR A 78 5.083 -3.793 5.425 1.00 4.41 H new ATOM 0 HE1 TYR A 78 6.775 -8.383 4.971 1.00 21.20 H new ATOM 0 HE2 TYR A 78 3.584 -5.692 5.795 1.00 52.15 H new ATOM 0 HH TYR A 78 4.755 -9.029 5.687 1.00 11.41 H new ATOM 1230 N GLY A 79 9.967 -1.434 5.759 1.00 21.34 N ATOM 1231 CA GLY A 79 10.862 -0.364 5.317 1.00 53.34 C ATOM 1232 C GLY A 79 10.282 0.513 4.210 1.00 4.31 C ATOM 1233 O GLY A 79 11.039 1.095 3.433 1.00 61.13 O ATOM 0 H GLY A 79 9.352 -1.169 6.528 1.00 21.34 H new ATOM 0 HA2 GLY A 79 11.110 0.265 6.172 1.00 53.34 H new ATOM 0 HA3 GLY A 79 11.794 -0.806 4.965 1.00 53.34 H new ATOM 1237 N PHE A 80 8.941 0.614 4.140 1.00 74.21 N ATOM 1238 CA PHE A 80 8.250 1.557 3.239 1.00 72.42 C ATOM 1239 C PHE A 80 8.290 2.957 3.862 1.00 14.43 C ATOM 1240 O PHE A 80 7.988 3.117 5.049 1.00 73.45 O ATOM 1241 CB PHE A 80 6.772 1.141 2.991 1.00 43.10 C ATOM 1242 CG PHE A 80 6.587 -0.032 2.036 1.00 54.35 C ATOM 1243 CD1 PHE A 80 6.609 -1.346 2.497 1.00 64.14 C ATOM 1244 CD2 PHE A 80 6.381 0.182 0.674 1.00 52.20 C ATOM 1245 CE1 PHE A 80 6.431 -2.408 1.628 1.00 12.21 C ATOM 1246 CE2 PHE A 80 6.206 -0.878 -0.191 1.00 31.43 C ATOM 1247 CZ PHE A 80 6.230 -2.173 0.288 1.00 14.23 C ATOM 0 H PHE A 80 8.308 0.047 4.704 1.00 74.21 H new ATOM 0 HA PHE A 80 8.762 1.549 2.277 1.00 72.42 H new ATOM 0 HB2 PHE A 80 6.316 0.887 3.948 1.00 43.10 H new ATOM 0 HB3 PHE A 80 6.229 2.000 2.597 1.00 43.10 H new ATOM 0 HD1 PHE A 80 6.767 -1.539 3.548 1.00 64.14 H new ATOM 0 HD2 PHE A 80 6.358 1.192 0.291 1.00 52.20 H new ATOM 0 HE1 PHE A 80 6.450 -3.421 2.002 1.00 12.21 H new ATOM 0 HE2 PHE A 80 6.050 -0.695 -1.244 1.00 31.43 H new ATOM 0 HZ PHE A 80 6.091 -3.002 -0.390 1.00 14.23 H new ATOM 1257 N ARG A 81 8.650 3.959 3.054 1.00 51.20 N ATOM 1258 CA ARG A 81 8.752 5.358 3.499 1.00 22.52 C ATOM 1259 C ARG A 81 7.515 6.132 3.027 1.00 34.21 C ATOM 1260 O ARG A 81 7.170 6.085 1.844 1.00 43.11 O ATOM 1261 CB ARG A 81 10.054 5.989 2.941 1.00 32.54 C ATOM 1262 CG ARG A 81 10.320 7.463 3.326 1.00 55.31 C ATOM 1263 CD ARG A 81 10.349 7.683 4.845 1.00 52.54 C ATOM 1264 NE ARG A 81 11.260 6.744 5.538 1.00 50.41 N ATOM 1265 CZ ARG A 81 11.483 6.707 6.867 1.00 21.34 C ATOM 1266 NH1 ARG A 81 10.880 7.562 7.701 1.00 51.34 N ATOM 1267 NH2 ARG A 81 12.315 5.786 7.358 1.00 53.13 N ATOM 0 H ARG A 81 8.880 3.825 2.069 1.00 51.20 H new ATOM 0 HA ARG A 81 8.793 5.402 4.587 1.00 22.52 H new ATOM 0 HB2 ARG A 81 10.898 5.389 3.281 1.00 32.54 H new ATOM 0 HB3 ARG A 81 10.030 5.918 1.854 1.00 32.54 H new ATOM 0 HG2 ARG A 81 11.272 7.780 2.899 1.00 55.31 H new ATOM 0 HG3 ARG A 81 9.548 8.094 2.886 1.00 55.31 H new ATOM 0 HD2 ARG A 81 10.660 8.707 5.054 1.00 52.54 H new ATOM 0 HD3 ARG A 81 9.341 7.568 5.245 1.00 52.54 H new ATOM 0 HE ARG A 81 11.761 6.068 4.961 1.00 50.41 H new ATOM 0 HH11 ARG A 81 10.235 8.262 7.335 1.00 51.34 H new ATOM 0 HH12 ARG A 81 11.065 7.514 8.703 1.00 51.34 H new ATOM 0 HH21 ARG A 81 12.771 5.124 6.730 1.00 53.13 H new ATOM 0 HH22 ARG A 81 12.495 5.744 8.361 1.00 53.13 H new ATOM 1281 N LYS A 82 6.848 6.818 3.975 1.00 12.25 N ATOM 1282 CA LYS A 82 5.683 7.669 3.690 1.00 32.31 C ATOM 1283 C LYS A 82 6.192 8.980 3.058 1.00 24.54 C ATOM 1284 O LYS A 82 7.046 9.661 3.631 1.00 72.20 O ATOM 1285 CB LYS A 82 4.874 7.927 5.012 1.00 72.32 C ATOM 1286 CG LYS A 82 3.418 8.452 4.830 1.00 74.42 C ATOM 1287 CD LYS A 82 3.318 9.934 4.388 1.00 21.52 C ATOM 1288 CE LYS A 82 1.889 10.369 4.033 1.00 33.51 C ATOM 1289 NZ LYS A 82 0.967 10.401 5.200 1.00 54.43 N ATOM 0 H LYS A 82 7.105 6.796 4.962 1.00 12.25 H new ATOM 0 HA LYS A 82 5.004 7.182 2.991 1.00 32.31 H new ATOM 0 HB2 LYS A 82 4.835 6.997 5.578 1.00 72.32 H new ATOM 0 HB3 LYS A 82 5.425 8.646 5.618 1.00 72.32 H new ATOM 0 HG2 LYS A 82 2.911 7.831 4.091 1.00 74.42 H new ATOM 0 HG3 LYS A 82 2.881 8.330 5.771 1.00 74.42 H new ATOM 0 HD2 LYS A 82 3.695 10.570 5.188 1.00 21.52 H new ATOM 0 HD3 LYS A 82 3.963 10.092 3.524 1.00 21.52 H new ATOM 0 HE2 LYS A 82 1.922 11.360 3.580 1.00 33.51 H new ATOM 0 HE3 LYS A 82 1.487 9.688 3.282 1.00 33.51 H new ATOM 0 HZ1 LYS A 82 0.046 10.783 4.904 1.00 54.43 H new ATOM 0 HZ2 LYS A 82 0.840 9.437 5.569 1.00 54.43 H new ATOM 0 HZ3 LYS A 82 1.370 11.006 5.944 1.00 54.43 H new ATOM 1303 N VAL A 83 5.661 9.296 1.873 1.00 45.12 N ATOM 1304 CA VAL A 83 5.987 10.495 1.095 1.00 32.14 C ATOM 1305 C VAL A 83 4.654 11.164 0.740 1.00 35.10 C ATOM 1306 O VAL A 83 3.828 10.569 0.034 1.00 63.33 O ATOM 1307 CB VAL A 83 6.783 10.128 -0.222 1.00 70.31 C ATOM 1308 CG1 VAL A 83 7.070 11.373 -1.089 1.00 73.20 C ATOM 1309 CG2 VAL A 83 8.092 9.387 0.117 1.00 11.24 C ATOM 0 H VAL A 83 4.969 8.704 1.413 1.00 45.12 H new ATOM 0 HA VAL A 83 6.626 11.161 1.674 1.00 32.14 H new ATOM 0 HB VAL A 83 6.149 9.463 -0.808 1.00 70.31 H new ATOM 0 HG11 VAL A 83 7.618 11.075 -1.983 1.00 73.20 H new ATOM 0 HG12 VAL A 83 6.128 11.839 -1.379 1.00 73.20 H new ATOM 0 HG13 VAL A 83 7.666 12.084 -0.518 1.00 73.20 H new ATOM 0 HG21 VAL A 83 8.622 9.145 -0.804 1.00 11.24 H new ATOM 0 HG22 VAL A 83 8.720 10.024 0.740 1.00 11.24 H new ATOM 0 HG23 VAL A 83 7.861 8.468 0.655 1.00 11.24 H new ATOM 1319 N VAL A 84 4.419 12.379 1.256 1.00 2.10 N ATOM 1320 CA VAL A 84 3.140 13.074 1.086 1.00 71.20 C ATOM 1321 C VAL A 84 3.287 14.165 0.010 1.00 54.40 C ATOM 1322 O VAL A 84 4.072 15.114 0.153 1.00 20.32 O ATOM 1323 CB VAL A 84 2.603 13.641 2.458 1.00 2.41 C ATOM 1324 CG1 VAL A 84 3.557 14.662 3.119 1.00 54.25 C ATOM 1325 CG2 VAL A 84 1.169 14.198 2.305 1.00 43.35 C ATOM 0 H VAL A 84 5.106 12.902 1.799 1.00 2.10 H new ATOM 0 HA VAL A 84 2.388 12.363 0.743 1.00 71.20 H new ATOM 0 HB VAL A 84 2.565 12.797 3.147 1.00 2.41 H new ATOM 0 HG11 VAL A 84 3.125 15.010 4.057 1.00 54.25 H new ATOM 0 HG12 VAL A 84 4.518 14.187 3.316 1.00 54.25 H new ATOM 0 HG13 VAL A 84 3.702 15.510 2.450 1.00 54.25 H new ATOM 0 HG21 VAL A 84 0.824 14.582 3.265 1.00 43.35 H new ATOM 0 HG22 VAL A 84 1.168 15.003 1.570 1.00 43.35 H new ATOM 0 HG23 VAL A 84 0.503 13.402 1.972 1.00 43.35 H new ATOM 1335 N HIS A 85 2.566 13.985 -1.110 1.00 35.53 N ATOM 1336 CA HIS A 85 2.590 14.938 -2.245 1.00 10.40 C ATOM 1337 C HIS A 85 1.548 16.056 -2.045 1.00 24.02 C ATOM 1338 O HIS A 85 1.360 16.900 -2.912 1.00 42.32 O ATOM 1339 CB HIS A 85 2.387 14.178 -3.587 1.00 12.13 C ATOM 1340 CG HIS A 85 3.506 13.196 -3.890 1.00 24.35 C ATOM 1341 ND1 HIS A 85 4.301 13.275 -5.018 1.00 1.20 N ATOM 1342 CD2 HIS A 85 3.966 12.118 -3.200 1.00 75.25 C ATOM 1343 CE1 HIS A 85 5.186 12.296 -5.002 1.00 42.31 C ATOM 1344 NE2 HIS A 85 5.004 11.588 -3.911 1.00 33.52 N ATOM 0 H HIS A 85 1.953 13.183 -1.259 1.00 35.53 H new ATOM 0 HA HIS A 85 3.567 15.420 -2.284 1.00 10.40 H new ATOM 0 HB2 HIS A 85 1.439 13.641 -3.554 1.00 12.13 H new ATOM 0 HB3 HIS A 85 2.316 14.901 -4.400 1.00 12.13 H new ATOM 0 HD2 HIS A 85 3.581 11.749 -2.261 1.00 75.25 H new ATOM 0 HE1 HIS A 85 5.934 12.109 -5.758 1.00 42.31 H new ATOM 0 HE2 HIS A 85 5.551 10.772 -3.638 1.00 33.52 H new ATOM 1504 N ARG A 96 -7.328 16.431 1.330 1.00 71.01 N ATOM 1505 CA ARG A 96 -7.026 14.981 1.404 1.00 44.31 C ATOM 1506 C ARG A 96 -5.501 14.757 1.490 1.00 71.43 C ATOM 1507 O ARG A 96 -4.725 15.595 1.039 1.00 33.02 O ATOM 1508 CB ARG A 96 -7.594 14.228 0.164 1.00 12.40 C ATOM 1509 CG ARG A 96 -6.943 14.635 -1.180 1.00 33.40 C ATOM 1510 CD ARG A 96 -7.507 13.866 -2.384 1.00 12.34 C ATOM 1511 NE ARG A 96 -8.941 14.113 -2.599 1.00 70.34 N ATOM 1512 CZ ARG A 96 -9.663 13.652 -3.638 1.00 13.24 C ATOM 1513 NH1 ARG A 96 -9.106 12.902 -4.590 1.00 2.24 N ATOM 1514 NH2 ARG A 96 -10.959 13.926 -3.699 1.00 24.24 N ATOM 0 HA ARG A 96 -7.502 14.585 2.301 1.00 44.31 H new ATOM 0 HB2 ARG A 96 -7.458 13.156 0.310 1.00 12.40 H new ATOM 0 HB3 ARG A 96 -8.667 14.408 0.104 1.00 12.40 H new ATOM 0 HG2 ARG A 96 -7.090 15.703 -1.338 1.00 33.40 H new ATOM 0 HG3 ARG A 96 -5.868 14.466 -1.121 1.00 33.40 H new ATOM 0 HD2 ARG A 96 -6.956 14.150 -3.281 1.00 12.34 H new ATOM 0 HD3 ARG A 96 -7.345 12.798 -2.235 1.00 12.34 H new ATOM 0 HE ARG A 96 -9.428 14.680 -1.905 1.00 70.34 H new ATOM 0 HH11 ARG A 96 -8.115 12.667 -4.540 1.00 2.24 H new ATOM 0 HH12 ARG A 96 -9.671 12.563 -5.368 1.00 2.24 H new ATOM 0 HH21 ARG A 96 -11.398 14.480 -2.964 1.00 24.24 H new ATOM 0 HH22 ARG A 96 -11.517 13.583 -4.481 1.00 24.24 H new ATOM 1528 N ASP A 97 -5.084 13.613 2.038 1.00 12.00 N ATOM 1529 CA ASP A 97 -3.653 13.290 2.210 1.00 63.14 C ATOM 1530 C ASP A 97 -3.243 12.260 1.149 1.00 35.53 C ATOM 1531 O ASP A 97 -3.872 11.197 1.037 1.00 73.20 O ATOM 1532 CB ASP A 97 -3.384 12.743 3.638 1.00 64.13 C ATOM 1533 CG ASP A 97 -1.879 12.600 3.958 1.00 61.13 C ATOM 1534 OD1 ASP A 97 -1.282 11.554 3.649 1.00 2.44 O ATOM 1535 OD2 ASP A 97 -1.293 13.540 4.536 1.00 53.32 O ATOM 0 H ASP A 97 -5.716 12.887 2.374 1.00 12.00 H new ATOM 0 HA ASP A 97 -3.059 14.195 2.084 1.00 63.14 H new ATOM 0 HB2 ASP A 97 -3.843 13.409 4.368 1.00 64.13 H new ATOM 0 HB3 ASP A 97 -3.866 11.771 3.745 1.00 64.13 H new ATOM 1540 N ASP A 98 -2.209 12.591 0.355 1.00 14.43 N ATOM 1541 CA ASP A 98 -1.607 11.655 -0.605 1.00 73.13 C ATOM 1542 C ASP A 98 -0.503 10.887 0.126 1.00 12.51 C ATOM 1543 O ASP A 98 0.537 11.448 0.453 1.00 13.44 O ATOM 1544 CB ASP A 98 -1.022 12.397 -1.833 1.00 43.14 C ATOM 1545 CG ASP A 98 -0.304 11.446 -2.808 1.00 65.21 C ATOM 1546 OD1 ASP A 98 -0.967 10.877 -3.703 1.00 35.40 O ATOM 1547 OD2 ASP A 98 0.929 11.259 -2.685 1.00 1.24 O ATOM 0 H ASP A 98 -1.770 13.512 0.362 1.00 14.43 H new ATOM 0 HA ASP A 98 -2.371 10.974 -0.980 1.00 73.13 H new ATOM 0 HB2 ASP A 98 -1.826 12.913 -2.359 1.00 43.14 H new ATOM 0 HB3 ASP A 98 -0.322 13.160 -1.493 1.00 43.14 H new ATOM 1552 N THR A 99 -0.765 9.620 0.404 1.00 53.01 N ATOM 1553 CA THR A 99 0.147 8.752 1.134 1.00 5.33 C ATOM 1554 C THR A 99 0.863 7.805 0.161 1.00 11.21 C ATOM 1555 O THR A 99 0.299 6.786 -0.246 1.00 62.11 O ATOM 1556 CB THR A 99 -0.650 7.949 2.211 1.00 43.43 C ATOM 1557 OG1 THR A 99 -1.504 8.834 2.936 1.00 34.50 O ATOM 1558 CG2 THR A 99 0.274 7.246 3.198 1.00 75.41 C ATOM 0 H THR A 99 -1.630 9.158 0.125 1.00 53.01 H new ATOM 0 HA THR A 99 0.903 9.355 1.637 1.00 5.33 H new ATOM 0 HB THR A 99 -1.233 7.192 1.687 1.00 43.43 H new ATOM 0 HG1 THR A 99 -1.089 9.720 2.987 1.00 34.50 H new ATOM 0 HG21 THR A 99 -0.322 6.700 3.929 1.00 75.41 H new ATOM 0 HG22 THR A 99 0.917 6.549 2.661 1.00 75.41 H new ATOM 0 HG23 THR A 99 0.889 7.986 3.711 1.00 75.41 H new ATOM 1566 N GLU A 100 2.098 8.159 -0.233 1.00 22.50 N ATOM 1567 CA GLU A 100 2.900 7.326 -1.140 1.00 24.51 C ATOM 1568 C GLU A 100 3.918 6.534 -0.312 1.00 70.52 C ATOM 1569 O GLU A 100 4.806 7.121 0.309 1.00 41.02 O ATOM 1570 CB GLU A 100 3.634 8.162 -2.227 1.00 65.33 C ATOM 1571 CG GLU A 100 4.480 7.293 -3.200 1.00 53.34 C ATOM 1572 CD GLU A 100 5.350 8.096 -4.176 1.00 41.43 C ATOM 1573 OE1 GLU A 100 6.221 8.855 -3.708 1.00 31.21 O ATOM 1574 OE2 GLU A 100 5.175 7.972 -5.412 1.00 22.53 O ATOM 0 H GLU A 100 2.561 9.018 0.064 1.00 22.50 H new ATOM 0 HA GLU A 100 2.223 6.652 -1.666 1.00 24.51 H new ATOM 0 HB2 GLU A 100 2.899 8.727 -2.800 1.00 65.33 H new ATOM 0 HB3 GLU A 100 4.284 8.888 -1.740 1.00 65.33 H new ATOM 0 HG2 GLU A 100 5.124 6.636 -2.615 1.00 53.34 H new ATOM 0 HG3 GLU A 100 3.809 6.653 -3.773 1.00 53.34 H new ATOM 1581 N PHE A 101 3.771 5.204 -0.272 1.00 15.21 N ATOM 1582 CA PHE A 101 4.751 4.320 0.365 1.00 31.30 C ATOM 1583 C PHE A 101 5.695 3.784 -0.712 1.00 11.14 C ATOM 1584 O PHE A 101 5.258 3.134 -1.670 1.00 43.41 O ATOM 1585 CB PHE A 101 4.048 3.167 1.115 1.00 1.23 C ATOM 1586 CG PHE A 101 3.251 3.605 2.340 1.00 52.20 C ATOM 1587 CD1 PHE A 101 3.910 4.036 3.494 1.00 62.20 C ATOM 1588 CD2 PHE A 101 1.852 3.570 2.350 1.00 55.12 C ATOM 1589 CE1 PHE A 101 3.196 4.414 4.615 1.00 54.14 C ATOM 1590 CE2 PHE A 101 1.145 3.950 3.472 1.00 31.00 C ATOM 1591 CZ PHE A 101 1.819 4.372 4.603 1.00 24.03 C ATOM 0 H PHE A 101 2.974 4.714 -0.678 1.00 15.21 H new ATOM 0 HA PHE A 101 5.324 4.879 1.105 1.00 31.30 H new ATOM 0 HB2 PHE A 101 3.377 2.656 0.424 1.00 1.23 H new ATOM 0 HB3 PHE A 101 4.799 2.441 1.426 1.00 1.23 H new ATOM 0 HD1 PHE A 101 4.989 4.074 3.510 1.00 62.20 H new ATOM 0 HD2 PHE A 101 1.320 3.242 1.469 1.00 55.12 H new ATOM 0 HE1 PHE A 101 3.718 4.743 5.502 1.00 54.14 H new ATOM 0 HE2 PHE A 101 0.065 3.918 3.467 1.00 31.00 H new ATOM 0 HZ PHE A 101 1.264 4.670 5.480 1.00 24.03 H new ATOM 1601 N GLN A 102 6.989 4.076 -0.547 1.00 32.44 N ATOM 1602 CA GLN A 102 8.032 3.759 -1.535 1.00 24.55 C ATOM 1603 C GLN A 102 8.950 2.647 -1.011 1.00 72.00 C ATOM 1604 O GLN A 102 9.185 2.548 0.203 1.00 21.43 O ATOM 1605 CB GLN A 102 8.858 5.038 -1.863 1.00 62.04 C ATOM 1606 CG GLN A 102 9.568 5.657 -0.641 1.00 61.32 C ATOM 1607 CD GLN A 102 10.388 6.917 -0.923 1.00 43.44 C ATOM 1608 OE1 GLN A 102 10.122 7.661 -1.865 1.00 15.54 O ATOM 1609 NE2 GLN A 102 11.368 7.183 -0.070 1.00 20.43 N ATOM 0 H GLN A 102 7.348 4.544 0.285 1.00 32.44 H new ATOM 0 HA GLN A 102 7.554 3.404 -2.448 1.00 24.55 H new ATOM 0 HB2 GLN A 102 9.605 4.792 -2.618 1.00 62.04 H new ATOM 0 HB3 GLN A 102 8.195 5.784 -2.301 1.00 62.04 H new ATOM 0 HG2 GLN A 102 8.816 5.895 0.112 1.00 61.32 H new ATOM 0 HG3 GLN A 102 10.227 4.905 -0.207 1.00 61.32 H new ATOM 0 HE21 GLN A 102 11.561 6.543 0.701 1.00 20.43 H new ATOM 0 HE22 GLN A 102 11.929 8.027 -0.185 1.00 20.43 H new ATOM 1618 N HIS A 103 9.441 1.809 -1.939 1.00 31.32 N ATOM 1619 CA HIS A 103 10.452 0.785 -1.656 1.00 51.22 C ATOM 1620 C HIS A 103 11.074 0.311 -2.993 1.00 21.21 C ATOM 1621 O HIS A 103 10.329 -0.032 -3.907 1.00 53.03 O ATOM 1622 CB HIS A 103 9.826 -0.412 -0.876 1.00 53.33 C ATOM 1623 CG HIS A 103 10.826 -1.257 -0.145 1.00 20.33 C ATOM 1624 ND1 HIS A 103 11.374 -2.410 -0.655 1.00 43.10 N ATOM 1625 CD2 HIS A 103 11.404 -1.076 1.062 1.00 31.33 C ATOM 1626 CE1 HIS A 103 12.248 -2.894 0.213 1.00 24.45 C ATOM 1627 NE2 HIS A 103 12.280 -2.102 1.254 1.00 74.42 N ATOM 0 H HIS A 103 9.143 1.826 -2.914 1.00 31.32 H new ATOM 0 HA HIS A 103 11.233 1.210 -1.026 1.00 51.22 H new ATOM 0 HB2 HIS A 103 9.101 -0.026 -0.160 1.00 53.33 H new ATOM 0 HB3 HIS A 103 9.278 -1.041 -1.577 1.00 53.33 H new ATOM 0 HD2 HIS A 103 11.208 -0.266 1.749 1.00 31.33 H new ATOM 0 HE1 HIS A 103 12.835 -3.791 0.084 1.00 24.45 H new ATOM 0 HE2 HIS A 103 12.867 -2.232 2.078 1.00 74.42 H new ATOM 1636 N PRO A 104 12.441 0.266 -3.129 1.00 31.30 N ATOM 1637 CA PRO A 104 13.118 -0.115 -4.410 1.00 55.30 C ATOM 1638 C PRO A 104 12.847 -1.582 -4.823 1.00 43.33 C ATOM 1639 O PRO A 104 12.939 -1.928 -6.007 1.00 45.41 O ATOM 1640 CB PRO A 104 14.623 0.128 -4.102 1.00 3.04 C ATOM 1641 CG PRO A 104 14.726 0.005 -2.609 1.00 3.11 C ATOM 1642 CD PRO A 104 13.440 0.597 -2.072 1.00 13.13 C ATOM 0 HA PRO A 104 12.751 0.464 -5.257 1.00 55.30 H new ATOM 0 HB2 PRO A 104 15.254 -0.604 -4.605 1.00 3.04 H new ATOM 0 HB3 PRO A 104 14.944 1.113 -4.442 1.00 3.04 H new ATOM 0 HG2 PRO A 104 14.837 -1.036 -2.306 1.00 3.11 H new ATOM 0 HG3 PRO A 104 15.595 0.541 -2.229 1.00 3.11 H new ATOM 0 HD2 PRO A 104 13.168 0.161 -1.111 1.00 13.13 H new ATOM 0 HD3 PRO A 104 13.525 1.673 -1.922 1.00 13.13 H new ATOM 1650 N CYS A 105 12.503 -2.431 -3.832 1.00 41.42 N ATOM 1651 CA CYS A 105 12.184 -3.860 -4.060 1.00 2.41 C ATOM 1652 C CYS A 105 10.662 -4.079 -4.210 1.00 22.25 C ATOM 1653 O CYS A 105 10.208 -5.217 -4.319 1.00 22.24 O ATOM 1654 CB CYS A 105 12.752 -4.719 -2.905 1.00 41.14 C ATOM 1655 SG CYS A 105 14.519 -4.480 -2.606 1.00 61.33 S ATOM 0 H CYS A 105 12.438 -2.149 -2.854 1.00 41.42 H new ATOM 0 HA CYS A 105 12.652 -4.171 -4.994 1.00 2.41 H new ATOM 0 HB2 CYS A 105 12.205 -4.487 -1.991 1.00 41.14 H new ATOM 0 HB3 CYS A 105 12.571 -5.771 -3.126 1.00 41.14 H new ATOM 0 HG CYS A 105 14.899 -5.239 -1.621 1.00 61.33 H new ATOM 1661 N PHE A 106 9.874 -2.986 -4.198 1.00 42.22 N ATOM 1662 CA PHE A 106 8.425 -3.044 -4.475 1.00 13.43 C ATOM 1663 C PHE A 106 8.226 -2.528 -5.888 1.00 40.11 C ATOM 1664 O PHE A 106 8.278 -1.328 -6.110 1.00 42.41 O ATOM 1665 CB PHE A 106 7.598 -2.178 -3.464 1.00 30.52 C ATOM 1666 CG PHE A 106 6.066 -2.262 -3.649 1.00 22.04 C ATOM 1667 CD1 PHE A 106 5.316 -3.229 -2.975 1.00 22.11 C ATOM 1668 CD2 PHE A 106 5.381 -1.389 -4.509 1.00 64.14 C ATOM 1669 CE1 PHE A 106 3.945 -3.326 -3.153 1.00 74.43 C ATOM 1670 CE2 PHE A 106 4.011 -1.488 -4.683 1.00 23.44 C ATOM 1671 CZ PHE A 106 3.297 -2.459 -4.005 1.00 22.44 C ATOM 0 H PHE A 106 10.219 -2.047 -3.998 1.00 42.22 H new ATOM 0 HA PHE A 106 8.070 -4.069 -4.367 1.00 13.43 H new ATOM 0 HB2 PHE A 106 7.846 -2.491 -2.450 1.00 30.52 H new ATOM 0 HB3 PHE A 106 7.906 -1.137 -3.561 1.00 30.52 H new ATOM 0 HD1 PHE A 106 5.813 -3.913 -2.303 1.00 22.11 H new ATOM 0 HD2 PHE A 106 5.931 -0.628 -5.043 1.00 64.14 H new ATOM 0 HE1 PHE A 106 3.384 -4.082 -2.623 1.00 74.43 H new ATOM 0 HE2 PHE A 106 3.500 -0.807 -5.348 1.00 23.44 H new ATOM 0 HZ PHE A 106 2.229 -2.538 -4.144 1.00 22.44 H new ATOM 1681 N LEU A 107 8.056 -3.434 -6.853 1.00 23.32 N ATOM 1682 CA LEU A 107 7.711 -3.063 -8.231 1.00 42.41 C ATOM 1683 C LEU A 107 6.297 -3.572 -8.557 1.00 12.42 C ATOM 1684 O LEU A 107 5.959 -4.718 -8.250 1.00 33.42 O ATOM 1685 CB LEU A 107 8.771 -3.608 -9.227 1.00 54.25 C ATOM 1686 CG LEU A 107 10.214 -3.017 -9.088 1.00 71.14 C ATOM 1687 CD1 LEU A 107 11.156 -3.570 -10.175 1.00 14.24 C ATOM 1688 CD2 LEU A 107 10.200 -1.470 -9.106 1.00 32.43 C ATOM 0 H LEU A 107 8.152 -4.439 -6.705 1.00 23.32 H new ATOM 0 HA LEU A 107 7.713 -1.978 -8.330 1.00 42.41 H new ATOM 0 HB2 LEU A 107 8.830 -4.690 -9.107 1.00 54.25 H new ATOM 0 HB3 LEU A 107 8.419 -3.418 -10.241 1.00 54.25 H new ATOM 0 HG LEU A 107 10.598 -3.334 -8.119 1.00 71.14 H new ATOM 0 HD11 LEU A 107 12.149 -3.139 -10.049 1.00 14.24 H new ATOM 0 HD12 LEU A 107 11.217 -4.655 -10.086 1.00 14.24 H new ATOM 0 HD13 LEU A 107 10.769 -3.308 -11.160 1.00 14.24 H new ATOM 0 HD21 LEU A 107 11.219 -1.096 -9.007 1.00 32.43 H new ATOM 0 HD22 LEU A 107 9.775 -1.121 -10.047 1.00 32.43 H new ATOM 0 HD23 LEU A 107 9.596 -1.102 -8.276 1.00 32.43 H new ATOM 1700 N ARG A 108 5.491 -2.690 -9.183 1.00 24.02 N ATOM 1701 CA ARG A 108 4.070 -2.945 -9.518 1.00 1.55 C ATOM 1702 C ARG A 108 3.894 -4.115 -10.512 1.00 43.01 C ATOM 1703 O ARG A 108 2.786 -4.640 -10.662 1.00 1.30 O ATOM 1704 CB ARG A 108 3.398 -1.623 -10.032 1.00 24.35 C ATOM 1705 CG ARG A 108 4.160 -0.851 -11.156 1.00 64.34 C ATOM 1706 CD ARG A 108 4.035 -1.471 -12.566 1.00 42.13 C ATOM 1707 NE ARG A 108 4.910 -0.818 -13.558 1.00 72.33 N ATOM 1708 CZ ARG A 108 5.233 -1.337 -14.756 1.00 64.24 C ATOM 1709 NH1 ARG A 108 4.760 -2.520 -15.150 1.00 41.03 N ATOM 1710 NH2 ARG A 108 6.026 -0.657 -15.564 1.00 71.23 N ATOM 0 H ARG A 108 5.811 -1.767 -9.475 1.00 24.02 H new ATOM 0 HA ARG A 108 3.560 -3.260 -8.607 1.00 1.55 H new ATOM 0 HB2 ARG A 108 2.401 -1.866 -10.400 1.00 24.35 H new ATOM 0 HB3 ARG A 108 3.269 -0.952 -9.183 1.00 24.35 H new ATOM 0 HG2 ARG A 108 3.788 0.173 -11.190 1.00 64.34 H new ATOM 0 HG3 ARG A 108 5.216 -0.798 -10.890 1.00 64.34 H new ATOM 0 HD2 ARG A 108 4.281 -2.532 -12.514 1.00 42.13 H new ATOM 0 HD3 ARG A 108 3.000 -1.399 -12.899 1.00 42.13 H new ATOM 0 HE ARG A 108 5.299 0.094 -13.318 1.00 72.33 H new ATOM 0 HH11 ARG A 108 4.140 -3.051 -14.538 1.00 41.03 H new ATOM 0 HH12 ARG A 108 5.018 -2.894 -16.063 1.00 41.03 H new ATOM 0 HH21 ARG A 108 6.387 0.253 -15.277 1.00 71.23 H new ATOM 0 HH22 ARG A 108 6.277 -1.042 -16.475 1.00 71.23 H new ATOM 1724 N GLY A 109 4.987 -4.482 -11.206 1.00 11.44 N ATOM 1725 CA GLY A 109 5.013 -5.653 -12.087 1.00 72.12 C ATOM 1726 C GLY A 109 5.696 -6.846 -11.423 1.00 12.33 C ATOM 1727 O GLY A 109 5.207 -7.977 -11.508 1.00 73.20 O ATOM 0 H GLY A 109 5.871 -3.974 -11.169 1.00 11.44 H new ATOM 0 HA2 GLY A 109 3.994 -5.924 -12.362 1.00 72.12 H new ATOM 0 HA3 GLY A 109 5.536 -5.402 -13.010 1.00 72.12 H new ATOM 1731 N GLN A 110 6.825 -6.579 -10.736 1.00 14.32 N ATOM 1732 CA GLN A 110 7.704 -7.625 -10.177 1.00 30.40 C ATOM 1733 C GLN A 110 7.304 -7.974 -8.722 1.00 34.13 C ATOM 1734 O GLN A 110 7.856 -7.425 -7.758 1.00 73.53 O ATOM 1735 CB GLN A 110 9.200 -7.181 -10.276 1.00 11.05 C ATOM 1736 CG GLN A 110 9.842 -7.223 -11.688 1.00 73.23 C ATOM 1737 CD GLN A 110 9.135 -6.375 -12.760 1.00 12.02 C ATOM 1738 OE1 GLN A 110 9.525 -5.119 -12.887 1.00 50.53 O flip ATOM 1739 NE2 GLN A 110 8.249 -6.850 -13.469 1.00 53.52 N flip ATOM 0 H GLN A 110 7.153 -5.631 -10.553 1.00 14.32 H new ATOM 0 HA GLN A 110 7.582 -8.534 -10.766 1.00 30.40 H new ATOM 0 HB2 GLN A 110 9.280 -6.163 -9.895 1.00 11.05 H new ATOM 0 HB3 GLN A 110 9.789 -7.816 -9.614 1.00 11.05 H new ATOM 0 HG2 GLN A 110 10.876 -6.889 -11.608 1.00 73.23 H new ATOM 0 HG3 GLN A 110 9.867 -8.259 -12.027 1.00 73.23 H new ATOM 0 HE21 GLN A 110 7.967 -7.823 -13.350 1.00 53.52 H new ATOM 0 HE22 GLN A 110 7.796 -6.271 -14.176 1.00 53.52 H new ATOM 1748 N GLU A 111 6.309 -8.872 -8.594 1.00 63.35 N ATOM 1749 CA GLU A 111 5.805 -9.386 -7.292 1.00 62.43 C ATOM 1750 C GLU A 111 6.800 -10.349 -6.601 1.00 2.31 C ATOM 1751 O GLU A 111 6.688 -10.598 -5.392 1.00 63.24 O ATOM 1752 CB GLU A 111 4.420 -10.088 -7.471 1.00 42.53 C ATOM 1753 CG GLU A 111 4.418 -11.457 -8.200 1.00 32.43 C ATOM 1754 CD GLU A 111 4.992 -11.419 -9.628 1.00 14.44 C ATOM 1755 OE1 GLU A 111 4.345 -10.843 -10.530 1.00 51.31 O ATOM 1756 OE2 GLU A 111 6.126 -11.904 -9.841 1.00 11.43 O ATOM 0 H GLU A 111 5.822 -9.270 -9.397 1.00 63.35 H new ATOM 0 HA GLU A 111 5.691 -8.518 -6.643 1.00 62.43 H new ATOM 0 HB2 GLU A 111 3.980 -10.229 -6.484 1.00 42.53 H new ATOM 0 HB3 GLU A 111 3.764 -9.411 -8.018 1.00 42.53 H new ATOM 0 HG2 GLU A 111 4.993 -12.170 -7.609 1.00 32.43 H new ATOM 0 HG3 GLU A 111 3.395 -11.830 -8.243 1.00 32.43 H new ATOM 1763 N GLN A 112 7.759 -10.909 -7.367 1.00 33.44 N ATOM 1764 CA GLN A 112 8.784 -11.819 -6.806 1.00 25.34 C ATOM 1765 C GLN A 112 9.835 -11.052 -5.984 1.00 63.22 C ATOM 1766 O GLN A 112 10.591 -11.656 -5.236 1.00 74.31 O ATOM 1767 CB GLN A 112 9.470 -12.700 -7.906 1.00 33.31 C ATOM 1768 CG GLN A 112 10.610 -12.052 -8.730 1.00 11.35 C ATOM 1769 CD GLN A 112 10.187 -10.879 -9.623 1.00 73.54 C ATOM 1770 OE1 GLN A 112 9.042 -10.777 -10.065 1.00 1.13 O ATOM 1771 NE2 GLN A 112 11.122 -9.997 -9.917 1.00 44.32 N ATOM 0 H GLN A 112 7.847 -10.749 -8.371 1.00 33.44 H new ATOM 0 HA GLN A 112 8.257 -12.496 -6.134 1.00 25.34 H new ATOM 0 HB2 GLN A 112 9.869 -13.592 -7.423 1.00 33.31 H new ATOM 0 HB3 GLN A 112 8.699 -13.032 -8.601 1.00 33.31 H new ATOM 0 HG2 GLN A 112 11.381 -11.704 -8.042 1.00 11.35 H new ATOM 0 HG3 GLN A 112 11.065 -12.819 -9.357 1.00 11.35 H new ATOM 0 HE21 GLN A 112 12.063 -10.105 -9.537 1.00 44.32 H new ATOM 0 HE22 GLN A 112 10.905 -9.207 -10.524 1.00 44.32 H new ATOM 1780 N LEU A 113 9.880 -9.714 -6.123 1.00 60.04 N ATOM 1781 CA LEU A 113 10.822 -8.865 -5.365 1.00 53.15 C ATOM 1782 C LEU A 113 10.276 -8.513 -3.962 1.00 74.24 C ATOM 1783 O LEU A 113 11.005 -7.946 -3.141 1.00 12.15 O ATOM 1784 CB LEU A 113 11.173 -7.584 -6.176 1.00 2.24 C ATOM 1785 CG LEU A 113 11.986 -7.804 -7.491 1.00 14.44 C ATOM 1786 CD1 LEU A 113 12.316 -6.460 -8.177 1.00 55.31 C ATOM 1787 CD2 LEU A 113 13.267 -8.622 -7.225 1.00 54.03 C ATOM 0 H LEU A 113 9.272 -9.194 -6.756 1.00 60.04 H new ATOM 0 HA LEU A 113 11.738 -9.435 -5.213 1.00 53.15 H new ATOM 0 HB2 LEU A 113 10.244 -7.073 -6.429 1.00 2.24 H new ATOM 0 HB3 LEU A 113 11.740 -6.914 -5.530 1.00 2.24 H new ATOM 0 HG LEU A 113 11.360 -8.379 -8.173 1.00 14.44 H new ATOM 0 HD11 LEU A 113 12.882 -6.647 -9.089 1.00 55.31 H new ATOM 0 HD12 LEU A 113 11.390 -5.941 -8.424 1.00 55.31 H new ATOM 0 HD13 LEU A 113 12.909 -5.843 -7.502 1.00 55.31 H new ATOM 0 HD21 LEU A 113 13.812 -8.759 -8.159 1.00 54.03 H new ATOM 0 HD22 LEU A 113 13.897 -8.090 -6.512 1.00 54.03 H new ATOM 0 HD23 LEU A 113 12.998 -9.596 -6.816 1.00 54.03 H new ATOM 1799 N LEU A 114 9.005 -8.875 -3.696 1.00 50.33 N ATOM 1800 CA LEU A 114 8.357 -8.643 -2.386 1.00 42.44 C ATOM 1801 C LEU A 114 8.929 -9.566 -1.285 1.00 54.04 C ATOM 1802 O LEU A 114 8.817 -9.261 -0.099 1.00 64.03 O ATOM 1803 CB LEU A 114 6.823 -8.817 -2.498 1.00 65.44 C ATOM 1804 CG LEU A 114 6.106 -8.008 -3.626 1.00 20.32 C ATOM 1805 CD1 LEU A 114 4.589 -8.266 -3.600 1.00 33.22 C ATOM 1806 CD2 LEU A 114 6.427 -6.503 -3.556 1.00 1.43 C ATOM 0 H LEU A 114 8.400 -9.334 -4.378 1.00 50.33 H new ATOM 0 HA LEU A 114 8.574 -7.615 -2.095 1.00 42.44 H new ATOM 0 HB2 LEU A 114 6.611 -9.875 -2.651 1.00 65.44 H new ATOM 0 HB3 LEU A 114 6.378 -8.537 -1.543 1.00 65.44 H new ATOM 0 HG LEU A 114 6.494 -8.363 -4.581 1.00 20.32 H new ATOM 0 HD11 LEU A 114 4.109 -7.693 -4.393 1.00 33.22 H new ATOM 0 HD12 LEU A 114 4.398 -9.328 -3.753 1.00 33.22 H new ATOM 0 HD13 LEU A 114 4.184 -7.960 -2.635 1.00 33.22 H new ATOM 0 HD21 LEU A 114 5.906 -5.982 -4.360 1.00 1.43 H new ATOM 0 HD22 LEU A 114 6.101 -6.106 -2.595 1.00 1.43 H new ATOM 0 HD23 LEU A 114 7.501 -6.355 -3.664 1.00 1.43 H new ATOM 1818 N GLU A 115 9.546 -10.698 -1.692 1.00 12.41 N ATOM 1819 CA GLU A 115 10.240 -11.611 -0.748 1.00 75.24 C ATOM 1820 C GLU A 115 11.644 -11.099 -0.383 1.00 24.54 C ATOM 1821 O GLU A 115 12.328 -11.684 0.457 1.00 51.20 O ATOM 1822 CB GLU A 115 10.315 -13.045 -1.317 1.00 23.23 C ATOM 1823 CG GLU A 115 11.134 -13.209 -2.599 1.00 20.03 C ATOM 1824 CD GLU A 115 11.177 -14.662 -3.107 1.00 3.23 C ATOM 1825 OE1 GLU A 115 11.578 -15.563 -2.323 1.00 35.21 O ATOM 1826 OE2 GLU A 115 10.820 -14.910 -4.285 1.00 2.13 O ATOM 0 H GLU A 115 9.579 -11.003 -2.665 1.00 12.41 H new ATOM 0 HA GLU A 115 9.650 -11.634 0.168 1.00 75.24 H new ATOM 0 HB2 GLU A 115 10.737 -13.698 -0.553 1.00 23.23 H new ATOM 0 HB3 GLU A 115 9.300 -13.393 -1.509 1.00 23.23 H new ATOM 0 HG2 GLU A 115 10.713 -12.571 -3.376 1.00 20.03 H new ATOM 0 HG3 GLU A 115 12.152 -12.863 -2.419 1.00 20.03 H new ATOM 1833 N ASN A 116 12.070 -10.009 -1.040 1.00 14.40 N ATOM 1834 CA ASN A 116 13.284 -9.257 -0.664 1.00 22.44 C ATOM 1835 C ASN A 116 12.893 -8.150 0.325 1.00 33.32 C ATOM 1836 O ASN A 116 13.747 -7.609 1.034 1.00 4.14 O ATOM 1837 CB ASN A 116 13.964 -8.658 -1.921 1.00 13.53 C ATOM 1838 CG ASN A 116 14.455 -9.730 -2.894 1.00 22.31 C ATOM 1839 OD1 ASN A 116 13.575 -10.191 -3.766 1.00 54.31 O flip ATOM 1840 ND2 ASN A 116 15.612 -10.153 -2.853 1.00 72.03 N flip ATOM 0 H ASN A 116 11.584 -9.621 -1.848 1.00 14.40 H new ATOM 0 HA ASN A 116 14.000 -9.929 -0.191 1.00 22.44 H new ATOM 0 HB2 ASN A 116 13.259 -8.004 -2.433 1.00 13.53 H new ATOM 0 HB3 ASN A 116 14.807 -8.039 -1.613 1.00 13.53 H new ATOM 0 HD21 ASN A 116 16.268 -9.777 -2.169 1.00 72.03 H new ATOM 0 HD22 ASN A 116 15.913 -10.879 -3.504 1.00 72.03 H new ATOM 1847 N ILE A 117 11.573 -7.843 0.381 1.00 23.05 N ATOM 1848 CA ILE A 117 11.008 -6.884 1.338 1.00 1.15 C ATOM 1849 C ILE A 117 10.597 -7.665 2.594 1.00 72.32 C ATOM 1850 O ILE A 117 9.415 -7.990 2.788 1.00 34.20 O ATOM 1851 CB ILE A 117 9.748 -6.094 0.792 1.00 44.14 C ATOM 1852 CG1 ILE A 117 9.951 -5.599 -0.660 1.00 62.02 C ATOM 1853 CG2 ILE A 117 9.394 -4.906 1.727 1.00 31.04 C ATOM 1854 CD1 ILE A 117 8.751 -4.870 -1.234 1.00 22.24 C ATOM 0 H ILE A 117 10.878 -8.258 -0.240 1.00 23.05 H new ATOM 0 HA ILE A 117 11.774 -6.135 1.539 1.00 1.15 H new ATOM 0 HB ILE A 117 8.913 -6.795 0.782 1.00 44.14 H new ATOM 0 HG12 ILE A 117 10.815 -4.936 -0.690 1.00 62.02 H new ATOM 0 HG13 ILE A 117 10.183 -6.453 -1.296 1.00 62.02 H new ATOM 0 HG21 ILE A 117 8.526 -4.378 1.332 1.00 31.04 H new ATOM 0 HG22 ILE A 117 9.167 -5.283 2.724 1.00 31.04 H new ATOM 0 HG23 ILE A 117 10.241 -4.222 1.782 1.00 31.04 H new ATOM 0 HD11 ILE A 117 8.971 -4.554 -2.254 1.00 22.24 H new ATOM 0 HD12 ILE A 117 7.888 -5.536 -1.238 1.00 22.24 H new ATOM 0 HD13 ILE A 117 8.530 -3.995 -0.623 1.00 22.24 H new ATOM 1866 N LYS A 118 11.588 -8.087 3.382 1.00 72.31 N ATOM 1867 CA LYS A 118 11.339 -8.640 4.713 1.00 34.11 C ATOM 1868 C LYS A 118 10.918 -7.537 5.696 1.00 5.40 C ATOM 1869 O LYS A 118 11.122 -6.336 5.452 1.00 25.43 O ATOM 1870 CB LYS A 118 12.571 -9.481 5.203 1.00 62.14 C ATOM 1871 CG LYS A 118 13.989 -8.865 5.004 1.00 64.21 C ATOM 1872 CD LYS A 118 14.587 -8.167 6.262 1.00 21.01 C ATOM 1873 CE LYS A 118 14.110 -6.719 6.460 1.00 3.11 C ATOM 1874 NZ LYS A 118 14.837 -6.001 7.549 1.00 73.11 N ATOM 0 H LYS A 118 12.573 -8.056 3.119 1.00 72.31 H new ATOM 0 HA LYS A 118 10.498 -9.332 4.661 1.00 34.11 H new ATOM 0 HB2 LYS A 118 12.439 -9.683 6.266 1.00 62.14 H new ATOM 0 HB3 LYS A 118 12.547 -10.442 4.690 1.00 62.14 H new ATOM 0 HG2 LYS A 118 14.670 -9.655 4.687 1.00 64.21 H new ATOM 0 HG3 LYS A 118 13.943 -8.139 4.192 1.00 64.21 H new ATOM 0 HD2 LYS A 118 14.326 -8.749 7.146 1.00 21.01 H new ATOM 0 HD3 LYS A 118 15.674 -8.173 6.186 1.00 21.01 H new ATOM 0 HE2 LYS A 118 14.236 -6.171 5.526 1.00 3.11 H new ATOM 0 HE3 LYS A 118 13.044 -6.723 6.686 1.00 3.11 H new ATOM 0 HZ1 LYS A 118 14.469 -5.032 7.632 1.00 73.11 H new ATOM 0 HZ2 LYS A 118 14.697 -6.502 8.449 1.00 73.11 H new ATOM 0 HZ3 LYS A 118 15.852 -5.968 7.326 1.00 73.11 H new ATOM 1888 N ARG A 119 10.306 -7.966 6.793 1.00 53.43 N ATOM 1889 CA ARG A 119 9.942 -7.096 7.912 1.00 44.04 C ATOM 1890 C ARG A 119 10.844 -7.437 9.097 1.00 12.23 C ATOM 1891 O ARG A 119 11.563 -6.572 9.616 1.00 34.03 O ATOM 1892 CB ARG A 119 8.425 -7.220 8.259 1.00 71.14 C ATOM 1893 CG ARG A 119 7.862 -8.656 8.257 1.00 34.04 C ATOM 1894 CD ARG A 119 6.343 -8.705 8.499 1.00 51.13 C ATOM 1895 NE ARG A 119 5.768 -10.027 8.199 1.00 20.41 N ATOM 1896 CZ ARG A 119 4.457 -10.283 8.050 1.00 34.32 C ATOM 1897 NH1 ARG A 119 3.538 -9.325 8.176 1.00 72.44 N ATOM 1898 NH2 ARG A 119 4.050 -11.505 7.750 1.00 14.21 N ATOM 0 H ARG A 119 10.044 -8.941 6.935 1.00 53.43 H new ATOM 0 HA ARG A 119 10.096 -6.052 7.640 1.00 44.04 H new ATOM 0 HB2 ARG A 119 8.258 -6.784 9.244 1.00 71.14 H new ATOM 0 HB3 ARG A 119 7.856 -6.624 7.545 1.00 71.14 H new ATOM 0 HG2 ARG A 119 8.088 -9.128 7.301 1.00 34.04 H new ATOM 0 HG3 ARG A 119 8.366 -9.240 9.027 1.00 34.04 H new ATOM 0 HD2 ARG A 119 6.135 -8.449 9.538 1.00 51.13 H new ATOM 0 HD3 ARG A 119 5.855 -7.951 7.881 1.00 51.13 H new ATOM 0 HE ARG A 119 6.415 -10.809 8.096 1.00 20.41 H new ATOM 0 HH11 ARG A 119 3.823 -8.370 8.391 1.00 72.44 H new ATOM 0 HH12 ARG A 119 2.550 -9.548 8.058 1.00 72.44 H new ATOM 0 HH21 ARG A 119 4.731 -12.255 7.631 1.00 14.21 H new ATOM 0 HH22 ARG A 119 3.055 -11.698 7.637 1.00 14.21 H new