USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=21 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 110 GLN : amide:sc= -1.03 X(o=-0.71,f=-0.9) USER MOD Set 1.2: A 112 GLN : amide:sc= 0.323 K(o=-0.71,f=-5.5!) USER MOD Set 2.1: A 51 GLN : amide:sc= -0.601 K(o=-0.68,f=-7!) USER MOD Set 2.2: A 99 THR OG1 : rot -169:sc= -0.0737 USER MOD Set 3.1: A 40 SER OG : rot -100:sc= 0.185 USER MOD Set 3.2: A 42 SER OG : rot -170:sc= 0 USER MOD Set 3.3: A 44 ASN : amide:sc= -1.6 K(o=-0.67,f=1.7) USER MOD Set 3.4: A 45 SER OG : rot 69:sc= 0.183 USER MOD Set 3.5: A 47 HIS : no HE2:sc= 0.563 K(o=-0.67,f=-1.4!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 80:sc= 1.13 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 95:sc= -0.319 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0.23 K(o=0.23,f=-0.45) USER MOD Single : A 56 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0665) USER MOD Single : A 61 LYS NZ :NH3+ -157:sc= -0.117 (180deg=-0.117) USER MOD Single : A 62 TYR OH : rot 180:sc=-0.00537 USER MOD Single : A 64 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0252) USER MOD Single : A 65 HIS : no HD1:sc=-0.00196 X(o=-0.002,f=-0.058) USER MOD Single : A 66 ASN : amide:sc= -0.0624 K(o=-0.062,f=-2.7!) USER MOD Single : A 67 ASN : amide:sc= 0.0203 K(o=0.02,f=-4.4!) USER MOD Single : A 68 MET CE :methyl -121:sc= -0.629 (180deg=-3.92!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.0599 X(o=-0.06,f=-0.45) USER MOD Single : A 76 ASN : amide:sc= 0.136 X(o=0.14,f=-0.049) USER MOD Single : A 77 MET CE :methyl 172:sc= 0 (180deg=-0.123) USER MOD Single : A 78 TYR OH : rot 165:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -170:sc= -0.0128 (180deg=-0.145) USER MOD Single : A 85 HIS : no HE2:sc= -0.121 K(o=-0.12,f=-2.2!) USER MOD Single : A 102 GLN : amide:sc= -0.251 X(o=-0.25,f=-0.33) USER MOD Single : A 103 HIS : no HD1:sc= -2.44 K(o=-2.4,f=-1.6) USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD Single : A 116 ASN : amide:sc= -1.48! K(o=-1.5!,f=-0.063) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 237 N VAL A 17 6.415 -15.095 0.081 1.00 33.55 N ATOM 238 CA VAL A 17 5.913 -13.718 -0.074 1.00 23.05 C ATOM 239 C VAL A 17 4.912 -13.446 1.082 1.00 65.43 C ATOM 240 O VAL A 17 3.925 -14.175 1.180 1.00 10.54 O ATOM 241 CB VAL A 17 5.188 -13.497 -1.463 1.00 71.03 C ATOM 242 CG1 VAL A 17 4.606 -12.064 -1.575 1.00 45.32 C ATOM 243 CG2 VAL A 17 6.133 -13.808 -2.652 1.00 23.31 C ATOM 0 HA VAL A 17 6.758 -13.031 -0.043 1.00 23.05 H new ATOM 0 HB VAL A 17 4.355 -14.199 -1.509 1.00 71.03 H new ATOM 0 HG11 VAL A 17 4.115 -11.945 -2.541 1.00 45.32 H new ATOM 0 HG12 VAL A 17 3.881 -11.902 -0.777 1.00 45.32 H new ATOM 0 HG13 VAL A 17 5.412 -11.336 -1.486 1.00 45.32 H new ATOM 0 HG21 VAL A 17 5.603 -13.646 -3.590 1.00 23.31 H new ATOM 0 HG22 VAL A 17 7.002 -13.151 -2.608 1.00 23.31 H new ATOM 0 HG23 VAL A 17 6.460 -14.846 -2.595 1.00 23.31 H new ATOM 253 N PRO A 18 5.163 -12.439 1.988 1.00 33.20 N ATOM 254 CA PRO A 18 4.223 -12.086 3.093 1.00 21.12 C ATOM 255 C PRO A 18 2.784 -11.818 2.588 1.00 14.40 C ATOM 256 O PRO A 18 2.601 -11.150 1.556 1.00 3.35 O ATOM 257 CB PRO A 18 4.856 -10.809 3.704 1.00 51.44 C ATOM 258 CG PRO A 18 6.318 -10.930 3.386 1.00 11.24 C ATOM 259 CD PRO A 18 6.374 -11.571 2.016 1.00 74.24 C ATOM 0 HA PRO A 18 4.107 -12.898 3.811 1.00 21.12 H new ATOM 0 HB2 PRO A 18 4.428 -9.906 3.269 1.00 51.44 H new ATOM 0 HB3 PRO A 18 4.686 -10.756 4.779 1.00 51.44 H new ATOM 0 HG2 PRO A 18 6.803 -9.954 3.384 1.00 11.24 H new ATOM 0 HG3 PRO A 18 6.833 -11.540 4.128 1.00 11.24 H new ATOM 0 HD2 PRO A 18 6.351 -10.824 1.222 1.00 74.24 H new ATOM 0 HD3 PRO A 18 7.287 -12.151 1.881 1.00 74.24 H new ATOM 267 N ALA A 19 1.784 -12.374 3.311 1.00 22.42 N ATOM 268 CA ALA A 19 0.349 -12.257 2.976 1.00 62.23 C ATOM 269 C ALA A 19 -0.094 -10.797 2.810 1.00 74.34 C ATOM 270 O ALA A 19 -0.839 -10.478 1.883 1.00 24.02 O ATOM 271 CB ALA A 19 -0.496 -12.944 4.057 1.00 73.44 C ATOM 0 H ALA A 19 1.955 -12.923 4.153 1.00 22.42 H new ATOM 0 HA ALA A 19 0.196 -12.752 2.017 1.00 62.23 H new ATOM 0 HB1 ALA A 19 -1.553 -12.854 3.805 1.00 73.44 H new ATOM 0 HB2 ALA A 19 -0.225 -13.998 4.115 1.00 73.44 H new ATOM 0 HB3 ALA A 19 -0.312 -12.468 5.020 1.00 73.44 H new ATOM 277 N PHE A 20 0.380 -9.925 3.715 1.00 50.11 N ATOM 278 CA PHE A 20 0.109 -8.481 3.662 1.00 64.43 C ATOM 279 C PHE A 20 0.581 -7.861 2.328 1.00 14.23 C ATOM 280 O PHE A 20 -0.128 -7.041 1.755 1.00 32.02 O ATOM 281 CB PHE A 20 0.790 -7.761 4.860 1.00 54.41 C ATOM 282 CG PHE A 20 0.415 -6.282 5.009 1.00 3.45 C ATOM 283 CD1 PHE A 20 1.151 -5.276 4.374 1.00 61.22 C ATOM 284 CD2 PHE A 20 -0.690 -5.898 5.776 1.00 4.33 C ATOM 285 CE1 PHE A 20 0.798 -3.951 4.501 1.00 45.32 C ATOM 286 CE2 PHE A 20 -1.038 -4.566 5.902 1.00 22.31 C ATOM 287 CZ PHE A 20 -0.290 -3.598 5.264 1.00 73.22 C ATOM 0 H PHE A 20 0.963 -10.203 4.505 1.00 50.11 H new ATOM 0 HA PHE A 20 -0.970 -8.344 3.728 1.00 64.43 H new ATOM 0 HB2 PHE A 20 0.527 -8.284 5.779 1.00 54.41 H new ATOM 0 HB3 PHE A 20 1.871 -7.839 4.748 1.00 54.41 H new ATOM 0 HD1 PHE A 20 2.009 -5.543 3.775 1.00 61.22 H new ATOM 0 HD2 PHE A 20 -1.279 -6.652 6.276 1.00 4.33 H new ATOM 0 HE1 PHE A 20 1.376 -3.188 4.001 1.00 45.32 H new ATOM 0 HE2 PHE A 20 -1.893 -4.284 6.498 1.00 22.31 H new ATOM 0 HZ PHE A 20 -0.561 -2.557 5.364 1.00 73.22 H new ATOM 297 N LEU A 21 1.763 -8.286 1.834 1.00 2.03 N ATOM 298 CA LEU A 21 2.393 -7.685 0.633 1.00 60.44 C ATOM 299 C LEU A 21 1.748 -8.177 -0.669 1.00 61.44 C ATOM 300 O LEU A 21 1.686 -7.423 -1.649 1.00 64.12 O ATOM 301 CB LEU A 21 3.923 -7.962 0.602 1.00 73.21 C ATOM 302 CG LEU A 21 4.772 -7.227 1.680 1.00 21.21 C ATOM 303 CD1 LEU A 21 6.268 -7.574 1.531 1.00 41.21 C ATOM 304 CD2 LEU A 21 4.532 -5.697 1.633 1.00 64.32 C ATOM 0 H LEU A 21 2.304 -9.045 2.248 1.00 2.03 H new ATOM 0 HA LEU A 21 2.228 -6.610 0.703 1.00 60.44 H new ATOM 0 HB2 LEU A 21 4.080 -9.035 0.714 1.00 73.21 H new ATOM 0 HB3 LEU A 21 4.302 -7.685 -0.382 1.00 73.21 H new ATOM 0 HG LEU A 21 4.449 -7.575 2.661 1.00 21.21 H new ATOM 0 HD11 LEU A 21 6.841 -7.049 2.295 1.00 41.21 H new ATOM 0 HD12 LEU A 21 6.406 -8.649 1.649 1.00 41.21 H new ATOM 0 HD13 LEU A 21 6.615 -7.270 0.544 1.00 41.21 H new ATOM 0 HD21 LEU A 21 5.138 -5.210 2.397 1.00 64.32 H new ATOM 0 HD22 LEU A 21 4.810 -5.315 0.651 1.00 64.32 H new ATOM 0 HD23 LEU A 21 3.478 -5.488 1.818 1.00 64.32 H new ATOM 316 N THR A 22 1.300 -9.446 -0.695 1.00 44.50 N ATOM 317 CA THR A 22 0.635 -10.006 -1.882 1.00 1.14 C ATOM 318 C THR A 22 -0.802 -9.453 -2.021 1.00 61.34 C ATOM 319 O THR A 22 -1.249 -9.183 -3.143 1.00 14.30 O ATOM 320 CB THR A 22 0.649 -11.572 -1.888 1.00 44.12 C ATOM 321 OG1 THR A 22 0.163 -12.075 -3.151 1.00 42.45 O ATOM 322 CG2 THR A 22 -0.177 -12.178 -0.747 1.00 73.25 C ATOM 0 H THR A 22 1.386 -10.096 0.086 1.00 44.50 H new ATOM 0 HA THR A 22 1.207 -9.686 -2.753 1.00 1.14 H new ATOM 0 HB THR A 22 1.686 -11.873 -1.739 1.00 44.12 H new ATOM 0 HG1 THR A 22 0.179 -13.055 -3.141 1.00 42.45 H new ATOM 0 HG21 THR A 22 -0.130 -13.266 -0.802 1.00 73.25 H new ATOM 0 HG22 THR A 22 0.225 -11.845 0.210 1.00 73.25 H new ATOM 0 HG23 THR A 22 -1.214 -11.854 -0.837 1.00 73.25 H new ATOM 330 N LYS A 23 -1.508 -9.262 -0.879 1.00 54.45 N ATOM 331 CA LYS A 23 -2.847 -8.648 -0.862 1.00 42.44 C ATOM 332 C LYS A 23 -2.745 -7.153 -1.183 1.00 63.45 C ATOM 333 O LYS A 23 -3.614 -6.600 -1.859 1.00 34.43 O ATOM 334 CB LYS A 23 -3.544 -8.870 0.513 1.00 12.43 C ATOM 335 CG LYS A 23 -3.824 -10.348 0.904 1.00 52.53 C ATOM 336 CD LYS A 23 -5.058 -11.000 0.217 1.00 14.41 C ATOM 337 CE LYS A 23 -4.871 -11.304 -1.279 1.00 34.04 C ATOM 338 NZ LYS A 23 -5.993 -12.106 -1.840 1.00 52.43 N ATOM 0 H LYS A 23 -1.164 -9.528 0.044 1.00 54.45 H new ATOM 0 HA LYS A 23 -3.457 -9.129 -1.627 1.00 42.44 H new ATOM 0 HB2 LYS A 23 -2.924 -8.421 1.289 1.00 12.43 H new ATOM 0 HB3 LYS A 23 -4.491 -8.330 0.509 1.00 12.43 H new ATOM 0 HG2 LYS A 23 -2.942 -10.942 0.666 1.00 52.53 H new ATOM 0 HG3 LYS A 23 -3.962 -10.400 1.984 1.00 52.53 H new ATOM 0 HD2 LYS A 23 -5.298 -11.928 0.736 1.00 14.41 H new ATOM 0 HD3 LYS A 23 -5.916 -10.338 0.335 1.00 14.41 H new ATOM 0 HE2 LYS A 23 -4.787 -10.367 -1.830 1.00 34.04 H new ATOM 0 HE3 LYS A 23 -3.935 -11.843 -1.423 1.00 34.04 H new ATOM 0 HZ1 LYS A 23 -5.821 -12.285 -2.850 1.00 52.43 H new ATOM 0 HZ2 LYS A 23 -6.059 -13.012 -1.334 1.00 52.43 H new ATOM 0 HZ3 LYS A 23 -6.884 -11.582 -1.728 1.00 52.43 H new ATOM 352 N LEU A 24 -1.664 -6.518 -0.677 1.00 42.03 N ATOM 353 CA LEU A 24 -1.317 -5.125 -0.984 1.00 10.25 C ATOM 354 C LEU A 24 -1.120 -4.915 -2.490 1.00 75.34 C ATOM 355 O LEU A 24 -1.751 -4.038 -3.060 1.00 34.24 O ATOM 356 CB LEU A 24 -0.033 -4.696 -0.230 1.00 25.22 C ATOM 357 CG LEU A 24 0.462 -3.237 -0.487 1.00 73.33 C ATOM 358 CD1 LEU A 24 -0.545 -2.192 0.039 1.00 53.13 C ATOM 359 CD2 LEU A 24 1.876 -3.032 0.089 1.00 24.33 C ATOM 0 H LEU A 24 -1.007 -6.968 -0.040 1.00 42.03 H new ATOM 0 HA LEU A 24 -2.151 -4.506 -0.653 1.00 10.25 H new ATOM 0 HB2 LEU A 24 -0.207 -4.815 0.839 1.00 25.22 H new ATOM 0 HB3 LEU A 24 0.769 -5.383 -0.501 1.00 25.22 H new ATOM 0 HG LEU A 24 0.525 -3.085 -1.565 1.00 73.33 H new ATOM 0 HD11 LEU A 24 -0.165 -1.189 -0.158 1.00 53.13 H new ATOM 0 HD12 LEU A 24 -1.502 -2.323 -0.465 1.00 53.13 H new ATOM 0 HD13 LEU A 24 -0.679 -2.324 1.113 1.00 53.13 H new ATOM 0 HD21 LEU A 24 2.202 -2.009 -0.101 1.00 24.33 H new ATOM 0 HD22 LEU A 24 1.861 -3.214 1.164 1.00 24.33 H new ATOM 0 HD23 LEU A 24 2.567 -3.727 -0.387 1.00 24.33 H new ATOM 371 N TRP A 25 -0.249 -5.728 -3.127 1.00 12.32 N ATOM 372 CA TRP A 25 0.028 -5.592 -4.571 1.00 3.31 C ATOM 373 C TRP A 25 -1.252 -5.827 -5.411 1.00 52.52 C ATOM 374 O TRP A 25 -1.523 -5.072 -6.350 1.00 44.43 O ATOM 375 CB TRP A 25 1.193 -6.517 -5.042 1.00 32.23 C ATOM 376 CG TRP A 25 1.427 -6.490 -6.551 1.00 31.40 C ATOM 377 CD1 TRP A 25 1.539 -7.568 -7.391 1.00 54.20 C ATOM 378 CD2 TRP A 25 1.526 -5.315 -7.404 1.00 75.34 C ATOM 379 NE1 TRP A 25 1.697 -7.147 -8.687 1.00 51.22 N ATOM 380 CE2 TRP A 25 1.681 -5.775 -8.722 1.00 52.04 C ATOM 381 CE3 TRP A 25 1.478 -3.926 -7.180 1.00 54.14 C ATOM 382 CZ2 TRP A 25 1.806 -4.909 -9.800 1.00 21.01 C ATOM 383 CZ3 TRP A 25 1.600 -3.066 -8.250 1.00 63.11 C ATOM 384 CH2 TRP A 25 1.753 -3.558 -9.548 1.00 62.02 C ATOM 0 H TRP A 25 0.269 -6.478 -2.668 1.00 12.32 H new ATOM 0 HA TRP A 25 0.356 -4.566 -4.735 1.00 3.31 H new ATOM 0 HB2 TRP A 25 2.110 -6.217 -4.536 1.00 32.23 H new ATOM 0 HB3 TRP A 25 0.979 -7.541 -4.735 1.00 32.23 H new ATOM 0 HD1 TRP A 25 1.507 -8.601 -7.077 1.00 54.20 H new ATOM 0 HE1 TRP A 25 1.809 -7.757 -9.497 1.00 51.22 H new ATOM 0 HE3 TRP A 25 1.347 -3.539 -6.180 1.00 54.14 H new ATOM 0 HZ2 TRP A 25 1.940 -5.284 -10.804 1.00 21.01 H new ATOM 0 HZ3 TRP A 25 1.577 -1.999 -8.083 1.00 63.11 H new ATOM 0 HH2 TRP A 25 1.831 -2.863 -10.371 1.00 62.02 H new ATOM 395 N THR A 26 -2.051 -6.844 -5.026 1.00 41.11 N ATOM 396 CA THR A 26 -3.357 -7.121 -5.657 1.00 53.51 C ATOM 397 C THR A 26 -4.306 -5.896 -5.521 1.00 71.41 C ATOM 398 O THR A 26 -5.032 -5.571 -6.452 1.00 74.42 O ATOM 399 CB THR A 26 -4.012 -8.394 -5.024 1.00 31.35 C ATOM 400 OG1 THR A 26 -3.123 -9.521 -5.172 1.00 64.22 O ATOM 401 CG2 THR A 26 -5.373 -8.746 -5.653 1.00 3.24 C ATOM 0 H THR A 26 -1.811 -7.491 -4.275 1.00 41.11 H new ATOM 0 HA THR A 26 -3.191 -7.308 -6.718 1.00 53.51 H new ATOM 0 HB THR A 26 -4.185 -8.168 -3.972 1.00 31.35 H new ATOM 0 HG1 THR A 26 -2.432 -9.486 -4.478 1.00 64.22 H new ATOM 0 HG21 THR A 26 -5.776 -9.637 -5.172 1.00 3.24 H new ATOM 0 HG22 THR A 26 -6.064 -7.915 -5.514 1.00 3.24 H new ATOM 0 HG23 THR A 26 -5.243 -8.936 -6.718 1.00 3.24 H new ATOM 409 N LEU A 27 -4.218 -5.205 -4.367 1.00 63.32 N ATOM 410 CA LEU A 27 -5.048 -4.028 -4.026 1.00 14.44 C ATOM 411 C LEU A 27 -4.666 -2.788 -4.868 1.00 65.41 C ATOM 412 O LEU A 27 -5.527 -2.147 -5.480 1.00 63.31 O ATOM 413 CB LEU A 27 -4.874 -3.733 -2.504 1.00 51.34 C ATOM 414 CG LEU A 27 -5.607 -2.490 -1.937 1.00 30.44 C ATOM 415 CD1 LEU A 27 -7.109 -2.577 -2.218 1.00 21.11 C ATOM 416 CD2 LEU A 27 -5.308 -2.305 -0.426 1.00 54.41 C ATOM 0 H LEU A 27 -3.556 -5.452 -3.631 1.00 63.32 H new ATOM 0 HA LEU A 27 -6.091 -4.250 -4.254 1.00 14.44 H new ATOM 0 HB2 LEU A 27 -5.213 -4.608 -1.949 1.00 51.34 H new ATOM 0 HB3 LEU A 27 -3.809 -3.620 -2.301 1.00 51.34 H new ATOM 0 HG LEU A 27 -5.228 -1.604 -2.446 1.00 30.44 H new ATOM 0 HD11 LEU A 27 -7.607 -1.696 -1.813 1.00 21.11 H new ATOM 0 HD12 LEU A 27 -7.276 -2.625 -3.294 1.00 21.11 H new ATOM 0 HD13 LEU A 27 -7.516 -3.472 -1.748 1.00 21.11 H new ATOM 0 HD21 LEU A 27 -5.835 -1.426 -0.056 1.00 54.41 H new ATOM 0 HD22 LEU A 27 -5.642 -3.186 0.122 1.00 54.41 H new ATOM 0 HD23 LEU A 27 -4.236 -2.173 -0.281 1.00 54.41 H new ATOM 428 N VAL A 28 -3.358 -2.485 -4.879 1.00 34.04 N ATOM 429 CA VAL A 28 -2.766 -1.338 -5.600 1.00 43.10 C ATOM 430 C VAL A 28 -3.027 -1.439 -7.124 1.00 21.11 C ATOM 431 O VAL A 28 -3.219 -0.425 -7.813 1.00 65.43 O ATOM 432 CB VAL A 28 -1.211 -1.281 -5.312 1.00 24.30 C ATOM 433 CG1 VAL A 28 -0.505 -0.170 -6.105 1.00 14.53 C ATOM 434 CG2 VAL A 28 -0.919 -1.119 -3.804 1.00 44.43 C ATOM 0 H VAL A 28 -2.665 -3.040 -4.377 1.00 34.04 H new ATOM 0 HA VAL A 28 -3.237 -0.422 -5.243 1.00 43.10 H new ATOM 0 HB VAL A 28 -0.808 -2.236 -5.648 1.00 24.30 H new ATOM 0 HG11 VAL A 28 0.559 -0.175 -5.870 1.00 14.53 H new ATOM 0 HG12 VAL A 28 -0.642 -0.342 -7.173 1.00 14.53 H new ATOM 0 HG13 VAL A 28 -0.931 0.796 -5.836 1.00 14.53 H new ATOM 0 HG21 VAL A 28 0.159 -1.084 -3.644 1.00 44.43 H new ATOM 0 HG22 VAL A 28 -1.370 -0.195 -3.443 1.00 44.43 H new ATOM 0 HG23 VAL A 28 -1.339 -1.964 -3.259 1.00 44.43 H new ATOM 444 N SER A 29 -3.046 -2.686 -7.622 1.00 4.12 N ATOM 445 CA SER A 29 -3.206 -2.994 -9.045 1.00 61.34 C ATOM 446 C SER A 29 -4.701 -3.085 -9.447 1.00 73.42 C ATOM 447 O SER A 29 -5.031 -2.864 -10.620 1.00 44.42 O ATOM 448 CB SER A 29 -2.465 -4.321 -9.353 1.00 52.43 C ATOM 449 OG SER A 29 -2.542 -4.694 -10.722 1.00 54.03 O ATOM 0 H SER A 29 -2.949 -3.516 -7.037 1.00 4.12 H new ATOM 0 HA SER A 29 -2.773 -2.186 -9.635 1.00 61.34 H new ATOM 0 HB2 SER A 29 -1.418 -4.221 -9.068 1.00 52.43 H new ATOM 0 HB3 SER A 29 -2.888 -5.118 -8.741 1.00 52.43 H new ATOM 0 HG SER A 29 -2.058 -5.535 -10.860 1.00 54.03 H new ATOM 455 N ASP A 30 -5.595 -3.386 -8.472 1.00 2.12 N ATOM 456 CA ASP A 30 -7.009 -3.752 -8.758 1.00 1.14 C ATOM 457 C ASP A 30 -7.826 -2.536 -9.292 1.00 35.04 C ATOM 458 O ASP A 30 -7.845 -1.484 -8.651 1.00 74.14 O ATOM 459 CB ASP A 30 -7.704 -4.350 -7.496 1.00 73.14 C ATOM 460 CG ASP A 30 -8.981 -5.149 -7.839 1.00 11.43 C ATOM 461 OD1 ASP A 30 -10.068 -4.549 -7.942 1.00 34.20 O ATOM 462 OD2 ASP A 30 -8.891 -6.388 -8.032 1.00 23.11 O ATOM 0 H ASP A 30 -5.363 -3.383 -7.479 1.00 2.12 H new ATOM 0 HA ASP A 30 -6.986 -4.513 -9.538 1.00 1.14 H new ATOM 0 HB2 ASP A 30 -7.002 -5.001 -6.975 1.00 73.14 H new ATOM 0 HB3 ASP A 30 -7.959 -3.542 -6.810 1.00 73.14 H new ATOM 467 N PRO A 31 -8.549 -2.686 -10.458 1.00 70.11 N ATOM 468 CA PRO A 31 -9.304 -1.569 -11.101 1.00 70.55 C ATOM 469 C PRO A 31 -10.605 -1.163 -10.362 1.00 75.22 C ATOM 470 O PRO A 31 -11.309 -0.258 -10.820 1.00 22.11 O ATOM 471 CB PRO A 31 -9.606 -2.125 -12.515 1.00 62.33 C ATOM 472 CG PRO A 31 -9.693 -3.609 -12.322 1.00 64.11 C ATOM 473 CD PRO A 31 -8.665 -3.946 -11.259 1.00 4.53 C ATOM 0 HA PRO A 31 -8.726 -0.645 -11.095 1.00 70.55 H new ATOM 0 HB2 PRO A 31 -10.538 -1.721 -12.910 1.00 62.33 H new ATOM 0 HB3 PRO A 31 -8.819 -1.862 -13.222 1.00 62.33 H new ATOM 0 HG2 PRO A 31 -10.694 -3.905 -12.007 1.00 64.11 H new ATOM 0 HG3 PRO A 31 -9.483 -4.138 -13.252 1.00 64.11 H new ATOM 0 HD2 PRO A 31 -8.989 -4.784 -10.641 1.00 4.53 H new ATOM 0 HD3 PRO A 31 -7.710 -4.227 -11.702 1.00 4.53 H new ATOM 481 N ASP A 32 -10.955 -1.852 -9.264 1.00 61.54 N ATOM 482 CA ASP A 32 -12.091 -1.445 -8.386 1.00 52.22 C ATOM 483 C ASP A 32 -11.628 -0.437 -7.315 1.00 2.34 C ATOM 484 O ASP A 32 -12.375 0.484 -6.946 1.00 23.11 O ATOM 485 CB ASP A 32 -12.730 -2.694 -7.713 1.00 54.41 C ATOM 486 CG ASP A 32 -13.920 -2.374 -6.778 1.00 24.33 C ATOM 487 OD1 ASP A 32 -15.053 -2.193 -7.282 1.00 43.14 O ATOM 488 OD2 ASP A 32 -13.740 -2.313 -5.537 1.00 10.15 O ATOM 0 H ASP A 32 -10.474 -2.696 -8.953 1.00 61.54 H new ATOM 0 HA ASP A 32 -12.842 -0.958 -9.008 1.00 52.22 H new ATOM 0 HB2 ASP A 32 -13.068 -3.378 -8.491 1.00 54.41 H new ATOM 0 HB3 ASP A 32 -11.963 -3.216 -7.140 1.00 54.41 H new ATOM 493 N THR A 33 -10.386 -0.602 -6.845 1.00 74.23 N ATOM 494 CA THR A 33 -9.841 0.139 -5.690 1.00 1.45 C ATOM 495 C THR A 33 -8.718 1.122 -6.097 1.00 2.35 C ATOM 496 O THR A 33 -8.177 1.834 -5.236 1.00 62.35 O ATOM 497 CB THR A 33 -9.327 -0.874 -4.619 1.00 42.31 C ATOM 498 OG1 THR A 33 -8.472 -1.849 -5.242 1.00 71.20 O ATOM 499 CG2 THR A 33 -10.486 -1.606 -3.912 1.00 13.31 C ATOM 0 H THR A 33 -9.722 -1.258 -7.256 1.00 74.23 H new ATOM 0 HA THR A 33 -10.645 0.743 -5.269 1.00 1.45 H new ATOM 0 HB THR A 33 -8.776 -0.304 -3.871 1.00 42.31 H new ATOM 0 HG1 THR A 33 -7.538 -1.565 -5.160 1.00 71.20 H new ATOM 0 HG21 THR A 33 -10.082 -2.301 -3.175 1.00 13.31 H new ATOM 0 HG22 THR A 33 -11.125 -0.878 -3.412 1.00 13.31 H new ATOM 0 HG23 THR A 33 -11.071 -2.157 -4.648 1.00 13.31 H new ATOM 507 N ASP A 34 -8.419 1.194 -7.414 1.00 11.24 N ATOM 508 CA ASP A 34 -7.344 2.055 -7.976 1.00 22.31 C ATOM 509 C ASP A 34 -7.598 3.553 -7.694 1.00 22.25 C ATOM 510 O ASP A 34 -6.659 4.359 -7.666 1.00 22.31 O ATOM 511 CB ASP A 34 -7.206 1.829 -9.510 1.00 40.32 C ATOM 512 CG ASP A 34 -8.393 2.389 -10.330 1.00 54.42 C ATOM 513 OD1 ASP A 34 -9.549 1.978 -10.065 1.00 2.14 O ATOM 514 OD2 ASP A 34 -8.185 3.250 -11.218 1.00 34.34 O ATOM 0 H ASP A 34 -8.917 0.656 -8.123 1.00 11.24 H new ATOM 0 HA ASP A 34 -6.415 1.770 -7.482 1.00 22.31 H new ATOM 0 HB2 ASP A 34 -6.284 2.297 -9.856 1.00 40.32 H new ATOM 0 HB3 ASP A 34 -7.114 0.760 -9.704 1.00 40.32 H new ATOM 519 N ALA A 35 -8.883 3.900 -7.502 1.00 33.22 N ATOM 520 CA ALA A 35 -9.329 5.273 -7.190 1.00 34.24 C ATOM 521 C ALA A 35 -8.779 5.780 -5.841 1.00 75.11 C ATOM 522 O ALA A 35 -8.501 6.974 -5.687 1.00 24.23 O ATOM 523 CB ALA A 35 -10.864 5.341 -7.200 1.00 0.00 C ATOM 0 H ALA A 35 -9.650 3.230 -7.559 1.00 33.22 H new ATOM 0 HA ALA A 35 -8.928 5.928 -7.963 1.00 34.24 H new ATOM 0 HB1 ALA A 35 -11.185 6.357 -6.969 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -11.234 5.059 -8.186 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.263 4.656 -6.452 1.00 0.00 H new ATOM 529 N LEU A 36 -8.625 4.860 -4.868 1.00 62.20 N ATOM 530 CA LEU A 36 -8.148 5.192 -3.505 1.00 53.15 C ATOM 531 C LEU A 36 -6.718 4.688 -3.257 1.00 33.24 C ATOM 532 O LEU A 36 -6.100 5.067 -2.261 1.00 11.33 O ATOM 533 CB LEU A 36 -9.114 4.621 -2.424 1.00 22.51 C ATOM 534 CG LEU A 36 -10.575 5.183 -2.429 1.00 1.02 C ATOM 535 CD1 LEU A 36 -11.395 4.614 -1.247 1.00 44.30 C ATOM 536 CD2 LEU A 36 -10.584 6.729 -2.432 1.00 34.33 C ATOM 0 H LEU A 36 -8.826 3.869 -5.001 1.00 62.20 H new ATOM 0 HA LEU A 36 -8.135 6.279 -3.428 1.00 53.15 H new ATOM 0 HB2 LEU A 36 -9.164 3.539 -2.548 1.00 22.51 H new ATOM 0 HB3 LEU A 36 -8.679 4.810 -1.443 1.00 22.51 H new ATOM 0 HG LEU A 36 -11.054 4.854 -3.351 1.00 1.02 H new ATOM 0 HD11 LEU A 36 -12.406 5.022 -1.276 1.00 44.30 H new ATOM 0 HD12 LEU A 36 -11.440 3.528 -1.325 1.00 44.30 H new ATOM 0 HD13 LEU A 36 -10.918 4.891 -0.307 1.00 44.30 H new ATOM 0 HD21 LEU A 36 -11.614 7.087 -2.435 1.00 34.33 H new ATOM 0 HD22 LEU A 36 -10.075 7.098 -1.542 1.00 34.33 H new ATOM 0 HD23 LEU A 36 -10.070 7.094 -3.321 1.00 34.33 H new ATOM 548 N ILE A 37 -6.205 3.806 -4.145 1.00 43.22 N ATOM 549 CA ILE A 37 -4.825 3.296 -4.040 1.00 50.21 C ATOM 550 C ILE A 37 -4.328 2.792 -5.414 1.00 53.13 C ATOM 551 O ILE A 37 -4.892 1.867 -5.997 1.00 44.11 O ATOM 552 CB ILE A 37 -4.713 2.184 -2.924 1.00 44.12 C ATOM 553 CG1 ILE A 37 -3.232 1.749 -2.684 1.00 0.43 C ATOM 554 CG2 ILE A 37 -5.632 0.969 -3.214 1.00 64.21 C ATOM 555 CD1 ILE A 37 -3.030 0.825 -1.487 1.00 24.13 C ATOM 0 H ILE A 37 -6.727 3.435 -4.939 1.00 43.22 H new ATOM 0 HA ILE A 37 -4.174 4.116 -3.736 1.00 50.21 H new ATOM 0 HB ILE A 37 -5.070 2.632 -1.997 1.00 44.12 H new ATOM 0 HG12 ILE A 37 -2.864 1.248 -3.580 1.00 0.43 H new ATOM 0 HG13 ILE A 37 -2.622 2.642 -2.545 1.00 0.43 H new ATOM 0 HG21 ILE A 37 -5.521 0.231 -2.420 1.00 64.21 H new ATOM 0 HG22 ILE A 37 -6.670 1.300 -3.259 1.00 64.21 H new ATOM 0 HG23 ILE A 37 -5.353 0.521 -4.168 1.00 64.21 H new ATOM 0 HD11 ILE A 37 -1.973 0.574 -1.396 1.00 24.13 H new ATOM 0 HD12 ILE A 37 -3.363 1.328 -0.579 1.00 24.13 H new ATOM 0 HD13 ILE A 37 -3.609 -0.088 -1.630 1.00 24.13 H new ATOM 567 N CYS A 38 -3.273 3.435 -5.927 1.00 72.04 N ATOM 568 CA CYS A 38 -2.690 3.109 -7.237 1.00 1.43 C ATOM 569 C CYS A 38 -1.172 3.293 -7.189 1.00 33.41 C ATOM 570 O CYS A 38 -0.658 4.090 -6.391 1.00 51.42 O ATOM 571 CB CYS A 38 -3.310 4.007 -8.328 1.00 74.13 C ATOM 572 SG CYS A 38 -3.002 5.777 -8.093 1.00 60.24 S ATOM 0 H CYS A 38 -2.797 4.198 -5.446 1.00 72.04 H new ATOM 0 HA CYS A 38 -2.908 2.069 -7.479 1.00 1.43 H new ATOM 0 HB2 CYS A 38 -2.915 3.706 -9.298 1.00 74.13 H new ATOM 0 HB3 CYS A 38 -4.386 3.837 -8.355 1.00 74.13 H new ATOM 0 HG CYS A 38 -3.559 6.446 -9.058 1.00 60.24 H new ATOM 578 N TRP A 39 -0.462 2.541 -8.046 1.00 44.04 N ATOM 579 CA TRP A 39 1.006 2.619 -8.159 1.00 2.35 C ATOM 580 C TRP A 39 1.394 3.798 -9.058 1.00 70.41 C ATOM 581 O TRP A 39 0.626 4.201 -9.943 1.00 73.41 O ATOM 582 CB TRP A 39 1.617 1.278 -8.676 1.00 5.44 C ATOM 583 CG TRP A 39 0.940 0.684 -9.902 1.00 2.45 C ATOM 584 CD1 TRP A 39 -0.190 -0.093 -9.926 1.00 42.15 C ATOM 585 CD2 TRP A 39 1.361 0.799 -11.273 1.00 63.33 C ATOM 586 NE1 TRP A 39 -0.501 -0.439 -11.213 1.00 21.22 N ATOM 587 CE2 TRP A 39 0.434 0.093 -12.059 1.00 11.20 C ATOM 588 CE3 TRP A 39 2.426 1.439 -11.905 1.00 70.40 C ATOM 589 CZ2 TRP A 39 0.544 0.013 -13.444 1.00 11.11 C ATOM 590 CZ3 TRP A 39 2.540 1.360 -13.277 1.00 23.04 C ATOM 591 CH2 TRP A 39 1.601 0.652 -14.038 1.00 3.02 C ATOM 0 H TRP A 39 -0.887 1.863 -8.679 1.00 44.04 H new ATOM 0 HA TRP A 39 1.421 2.787 -7.165 1.00 2.35 H new ATOM 0 HB2 TRP A 39 2.669 1.443 -8.907 1.00 5.44 H new ATOM 0 HB3 TRP A 39 1.578 0.546 -7.870 1.00 5.44 H new ATOM 0 HD1 TRP A 39 -0.754 -0.389 -9.054 1.00 42.15 H new ATOM 0 HE1 TRP A 39 -1.302 -1.003 -11.497 1.00 21.22 H new ATOM 0 HE3 TRP A 39 3.153 1.990 -11.327 1.00 70.40 H new ATOM 0 HZ2 TRP A 39 -0.179 -0.534 -14.031 1.00 11.11 H new ATOM 0 HZ3 TRP A 39 3.365 1.851 -13.772 1.00 23.04 H new ATOM 0 HH2 TRP A 39 1.712 0.609 -15.111 1.00 3.02 H new ATOM 602 N SER A 40 2.595 4.331 -8.822 1.00 62.42 N ATOM 603 CA SER A 40 3.137 5.477 -9.559 1.00 60.53 C ATOM 604 C SER A 40 3.754 4.968 -10.887 1.00 65.41 C ATOM 605 O SER A 40 4.125 3.802 -10.952 1.00 2.34 O ATOM 606 CB SER A 40 4.196 6.184 -8.671 1.00 53.11 C ATOM 607 OG SER A 40 3.672 6.496 -7.380 1.00 31.13 O ATOM 0 H SER A 40 3.227 3.975 -8.105 1.00 62.42 H new ATOM 0 HA SER A 40 2.355 6.197 -9.799 1.00 60.53 H new ATOM 0 HB2 SER A 40 5.070 5.542 -8.565 1.00 53.11 H new ATOM 0 HB3 SER A 40 4.530 7.099 -9.160 1.00 53.11 H new ATOM 0 HG SER A 40 3.414 7.441 -7.351 1.00 31.13 H new ATOM 613 N PRO A 41 3.903 5.814 -11.963 1.00 23.12 N ATOM 614 CA PRO A 41 4.525 5.372 -13.254 1.00 22.13 C ATOM 615 C PRO A 41 5.997 4.905 -13.098 1.00 22.32 C ATOM 616 O PRO A 41 6.566 4.327 -14.033 1.00 1.25 O ATOM 617 CB PRO A 41 4.415 6.625 -14.158 1.00 35.04 C ATOM 618 CG PRO A 41 4.272 7.775 -13.200 1.00 21.44 C ATOM 619 CD PRO A 41 3.472 7.236 -12.034 1.00 13.12 C ATOM 0 HA PRO A 41 4.021 4.497 -13.666 1.00 22.13 H new ATOM 0 HB2 PRO A 41 5.299 6.740 -14.785 1.00 35.04 H new ATOM 0 HB3 PRO A 41 3.557 6.557 -14.826 1.00 35.04 H new ATOM 0 HG2 PRO A 41 5.247 8.136 -12.873 1.00 21.44 H new ATOM 0 HG3 PRO A 41 3.762 8.616 -13.670 1.00 21.44 H new ATOM 0 HD2 PRO A 41 3.693 7.772 -11.111 1.00 13.12 H new ATOM 0 HD3 PRO A 41 2.399 7.325 -12.205 1.00 13.12 H new ATOM 627 N SER A 42 6.602 5.186 -11.929 1.00 25.04 N ATOM 628 CA SER A 42 7.924 4.657 -11.540 1.00 55.42 C ATOM 629 C SER A 42 7.821 3.166 -11.150 1.00 74.43 C ATOM 630 O SER A 42 8.734 2.371 -11.411 1.00 51.34 O ATOM 631 CB SER A 42 8.475 5.468 -10.348 1.00 0.21 C ATOM 632 OG SER A 42 7.583 5.410 -9.237 1.00 32.31 O ATOM 0 H SER A 42 6.184 5.791 -11.222 1.00 25.04 H new ATOM 0 HA SER A 42 8.600 4.748 -12.390 1.00 55.42 H new ATOM 0 HB2 SER A 42 9.450 5.078 -10.057 1.00 0.21 H new ATOM 0 HB3 SER A 42 8.623 6.506 -10.647 1.00 0.21 H new ATOM 0 HG SER A 42 7.869 6.052 -8.554 1.00 32.31 H new ATOM 638 N GLY A 43 6.697 2.814 -10.491 1.00 61.14 N ATOM 639 CA GLY A 43 6.406 1.439 -10.065 1.00 32.41 C ATOM 640 C GLY A 43 6.990 1.091 -8.699 1.00 22.21 C ATOM 641 O GLY A 43 6.650 0.054 -8.127 1.00 63.32 O ATOM 0 H GLY A 43 5.967 3.481 -10.241 1.00 61.14 H new ATOM 0 HA2 GLY A 43 5.326 1.296 -10.037 1.00 32.41 H new ATOM 0 HA3 GLY A 43 6.800 0.745 -10.808 1.00 32.41 H new ATOM 645 N ASN A 44 7.819 2.004 -8.154 1.00 44.14 N ATOM 646 CA ASN A 44 8.608 1.780 -6.923 1.00 40.24 C ATOM 647 C ASN A 44 7.956 2.450 -5.714 1.00 40.24 C ATOM 648 O ASN A 44 8.571 2.563 -4.651 1.00 30.14 O ATOM 649 CB ASN A 44 10.084 2.246 -7.130 1.00 44.24 C ATOM 650 CG ASN A 44 10.283 3.695 -7.626 1.00 43.11 C ATOM 651 OD1 ASN A 44 11.168 3.958 -8.440 1.00 44.44 O ATOM 652 ND2 ASN A 44 9.532 4.668 -7.114 1.00 50.03 N ATOM 0 H ASN A 44 7.962 2.929 -8.560 1.00 44.14 H new ATOM 0 HA ASN A 44 8.626 0.710 -6.714 1.00 40.24 H new ATOM 0 HB2 ASN A 44 10.614 2.133 -6.184 1.00 44.24 H new ATOM 0 HB3 ASN A 44 10.558 1.572 -7.844 1.00 44.24 H new ATOM 0 HD21 ASN A 44 9.689 5.636 -7.396 1.00 50.03 H new ATOM 0 HD22 ASN A 44 8.800 4.446 -6.440 1.00 50.03 H new ATOM 659 N SER A 45 6.706 2.877 -5.893 1.00 4.41 N ATOM 660 CA SER A 45 5.949 3.627 -4.891 1.00 34.53 C ATOM 661 C SER A 45 4.455 3.601 -5.250 1.00 0.23 C ATOM 662 O SER A 45 4.100 3.490 -6.430 1.00 61.31 O ATOM 663 CB SER A 45 6.469 5.083 -4.821 1.00 22.33 C ATOM 664 OG SER A 45 6.390 5.733 -6.081 1.00 63.05 O ATOM 0 H SER A 45 6.183 2.709 -6.752 1.00 4.41 H new ATOM 0 HA SER A 45 6.082 3.166 -3.912 1.00 34.53 H new ATOM 0 HB2 SER A 45 5.888 5.641 -4.087 1.00 22.33 H new ATOM 0 HB3 SER A 45 7.503 5.083 -4.476 1.00 22.33 H new ATOM 0 HG SER A 45 5.450 5.884 -6.313 1.00 63.05 H new ATOM 670 N PHE A 46 3.588 3.700 -4.232 1.00 71.44 N ATOM 671 CA PHE A 46 2.125 3.733 -4.424 1.00 64.22 C ATOM 672 C PHE A 46 1.499 4.768 -3.482 1.00 20.31 C ATOM 673 O PHE A 46 1.987 4.973 -2.367 1.00 14.42 O ATOM 674 CB PHE A 46 1.504 2.322 -4.212 1.00 25.20 C ATOM 675 CG PHE A 46 1.662 1.737 -2.803 1.00 24.21 C ATOM 676 CD1 PHE A 46 2.821 1.052 -2.437 1.00 12.01 C ATOM 677 CD2 PHE A 46 0.651 1.875 -1.843 1.00 65.43 C ATOM 678 CE1 PHE A 46 2.963 0.528 -1.165 1.00 44.02 C ATOM 679 CE2 PHE A 46 0.801 1.352 -0.573 1.00 50.21 C ATOM 680 CZ PHE A 46 1.954 0.679 -0.237 1.00 44.42 C ATOM 0 H PHE A 46 3.876 3.759 -3.255 1.00 71.44 H new ATOM 0 HA PHE A 46 1.911 4.029 -5.451 1.00 64.22 H new ATOM 0 HB2 PHE A 46 0.441 2.372 -4.449 1.00 25.20 H new ATOM 0 HB3 PHE A 46 1.957 1.634 -4.925 1.00 25.20 H new ATOM 0 HD1 PHE A 46 3.617 0.929 -3.156 1.00 12.01 H new ATOM 0 HD2 PHE A 46 -0.259 2.398 -2.099 1.00 65.43 H new ATOM 0 HE1 PHE A 46 3.866 -0.001 -0.898 1.00 44.02 H new ATOM 0 HE2 PHE A 46 0.013 1.471 0.156 1.00 50.21 H new ATOM 0 HZ PHE A 46 2.069 0.268 0.755 1.00 44.42 H new ATOM 690 N HIS A 47 0.409 5.404 -3.940 1.00 15.12 N ATOM 691 CA HIS A 47 -0.279 6.474 -3.198 1.00 14.24 C ATOM 692 C HIS A 47 -1.538 5.912 -2.540 1.00 44.23 C ATOM 693 O HIS A 47 -2.213 5.047 -3.103 1.00 61.43 O ATOM 694 CB HIS A 47 -0.652 7.645 -4.144 1.00 43.53 C ATOM 695 CG HIS A 47 0.534 8.413 -4.670 1.00 52.22 C ATOM 696 ND1 HIS A 47 0.746 9.746 -4.400 1.00 35.32 N ATOM 697 CD2 HIS A 47 1.572 8.031 -5.449 1.00 14.22 C ATOM 698 CE1 HIS A 47 1.849 10.144 -4.980 1.00 34.53 C ATOM 699 NE2 HIS A 47 2.376 9.126 -5.619 1.00 61.14 N ATOM 0 H HIS A 47 -0.022 5.190 -4.839 1.00 15.12 H new ATOM 0 HA HIS A 47 0.393 6.856 -2.430 1.00 14.24 H new ATOM 0 HB2 HIS A 47 -1.219 7.250 -4.987 1.00 43.53 H new ATOM 0 HB3 HIS A 47 -1.310 8.332 -3.612 1.00 43.53 H new ATOM 0 HD1 HIS A 47 0.135 10.335 -3.833 1.00 35.32 H new ATOM 0 HD2 HIS A 47 1.736 7.046 -5.860 1.00 14.22 H new ATOM 0 HE1 HIS A 47 2.257 11.143 -4.940 1.00 34.53 H new ATOM 708 N VAL A 48 -1.843 6.430 -1.346 1.00 45.32 N ATOM 709 CA VAL A 48 -3.027 6.071 -0.562 1.00 3.32 C ATOM 710 C VAL A 48 -3.832 7.360 -0.323 1.00 13.53 C ATOM 711 O VAL A 48 -3.357 8.289 0.342 1.00 50.42 O ATOM 712 CB VAL A 48 -2.633 5.378 0.802 1.00 10.21 C ATOM 713 CG1 VAL A 48 -3.875 5.091 1.670 1.00 71.10 C ATOM 714 CG2 VAL A 48 -1.808 4.086 0.557 1.00 44.41 C ATOM 0 H VAL A 48 -1.258 7.128 -0.887 1.00 45.32 H new ATOM 0 HA VAL A 48 -3.630 5.344 -1.107 1.00 3.32 H new ATOM 0 HB VAL A 48 -2.003 6.076 1.354 1.00 10.21 H new ATOM 0 HG11 VAL A 48 -3.566 4.614 2.600 1.00 71.10 H new ATOM 0 HG12 VAL A 48 -4.386 6.027 1.894 1.00 71.10 H new ATOM 0 HG13 VAL A 48 -4.551 4.429 1.130 1.00 71.10 H new ATOM 0 HG21 VAL A 48 -1.551 3.631 1.514 1.00 44.41 H new ATOM 0 HG22 VAL A 48 -2.398 3.384 -0.032 1.00 44.41 H new ATOM 0 HG23 VAL A 48 -0.894 4.335 0.017 1.00 44.41 H new ATOM 724 N PHE A 49 -5.041 7.394 -0.884 1.00 11.51 N ATOM 725 CA PHE A 49 -5.916 8.579 -0.918 1.00 24.14 C ATOM 726 C PHE A 49 -7.182 8.341 -0.095 1.00 53.35 C ATOM 727 O PHE A 49 -7.667 7.202 -0.014 1.00 14.45 O ATOM 728 CB PHE A 49 -6.302 8.939 -2.382 1.00 10.34 C ATOM 729 CG PHE A 49 -5.273 9.792 -3.118 1.00 21.40 C ATOM 730 CD1 PHE A 49 -5.194 11.161 -2.870 1.00 5.41 C ATOM 731 CD2 PHE A 49 -4.404 9.241 -4.061 1.00 13.44 C ATOM 732 CE1 PHE A 49 -4.285 11.951 -3.534 1.00 54.33 C ATOM 733 CE2 PHE A 49 -3.493 10.037 -4.730 1.00 71.31 C ATOM 734 CZ PHE A 49 -3.437 11.393 -4.465 1.00 23.44 C ATOM 0 H PHE A 49 -5.454 6.581 -1.340 1.00 11.51 H new ATOM 0 HA PHE A 49 -5.364 9.413 -0.484 1.00 24.14 H new ATOM 0 HB2 PHE A 49 -6.456 8.016 -2.941 1.00 10.34 H new ATOM 0 HB3 PHE A 49 -7.254 9.469 -2.373 1.00 10.34 H new ATOM 0 HD1 PHE A 49 -5.857 11.609 -2.145 1.00 5.41 H new ATOM 0 HD2 PHE A 49 -4.444 8.182 -4.270 1.00 13.44 H new ATOM 0 HE1 PHE A 49 -4.236 13.010 -3.325 1.00 54.33 H new ATOM 0 HE2 PHE A 49 -2.826 9.600 -5.459 1.00 71.31 H new ATOM 0 HZ PHE A 49 -2.727 12.016 -4.989 1.00 23.44 H new ATOM 744 N ASP A 50 -7.705 9.455 0.484 1.00 5.31 N ATOM 745 CA ASP A 50 -8.960 9.479 1.270 1.00 44.30 C ATOM 746 C ASP A 50 -8.926 8.415 2.365 1.00 5.53 C ATOM 747 O ASP A 50 -9.838 7.603 2.483 1.00 34.53 O ATOM 748 CB ASP A 50 -10.214 9.305 0.363 1.00 50.12 C ATOM 749 CG ASP A 50 -10.328 10.384 -0.712 1.00 24.24 C ATOM 750 OD1 ASP A 50 -9.649 10.262 -1.750 1.00 32.14 O ATOM 751 OD2 ASP A 50 -11.094 11.357 -0.525 1.00 22.14 O ATOM 0 H ASP A 50 -7.259 10.370 0.415 1.00 5.31 H new ATOM 0 HA ASP A 50 -9.037 10.459 1.741 1.00 44.30 H new ATOM 0 HB2 ASP A 50 -10.177 8.326 -0.115 1.00 50.12 H new ATOM 0 HB3 ASP A 50 -11.110 9.322 0.984 1.00 50.12 H new ATOM 756 N GLN A 51 -7.853 8.464 3.164 1.00 2.02 N ATOM 757 CA GLN A 51 -7.511 7.436 4.150 1.00 41.30 C ATOM 758 C GLN A 51 -8.663 7.111 5.130 1.00 1.55 C ATOM 759 O GLN A 51 -8.718 5.996 5.655 1.00 34.44 O ATOM 760 CB GLN A 51 -6.228 7.844 4.897 1.00 44.35 C ATOM 761 CG GLN A 51 -4.958 7.851 4.012 1.00 51.34 C ATOM 762 CD GLN A 51 -3.691 8.193 4.789 1.00 31.21 C ATOM 763 OE1 GLN A 51 -3.314 9.358 4.912 1.00 20.52 O ATOM 764 NE2 GLN A 51 -3.030 7.178 5.332 1.00 71.21 N ATOM 0 H GLN A 51 -7.186 9.235 3.141 1.00 2.02 H new ATOM 0 HA GLN A 51 -7.334 6.509 3.604 1.00 41.30 H new ATOM 0 HB2 GLN A 51 -6.368 8.838 5.321 1.00 44.35 H new ATOM 0 HB3 GLN A 51 -6.073 7.160 5.731 1.00 44.35 H new ATOM 0 HG2 GLN A 51 -4.840 6.872 3.548 1.00 51.34 H new ATOM 0 HG3 GLN A 51 -5.088 8.572 3.205 1.00 51.34 H new ATOM 0 HE21 GLN A 51 -3.371 6.224 5.210 1.00 71.21 H new ATOM 0 HE22 GLN A 51 -2.182 7.352 5.871 1.00 71.21 H new ATOM 773 N GLY A 52 -9.580 8.071 5.360 1.00 13.23 N ATOM 774 CA GLY A 52 -10.775 7.836 6.170 1.00 71.11 C ATOM 775 C GLY A 52 -11.725 6.821 5.521 1.00 13.31 C ATOM 776 O GLY A 52 -12.125 5.844 6.156 1.00 14.24 O ATOM 0 H GLY A 52 -9.508 9.019 4.991 1.00 13.23 H new ATOM 0 HA2 GLY A 52 -10.479 7.476 7.155 1.00 71.11 H new ATOM 0 HA3 GLY A 52 -11.301 8.779 6.320 1.00 71.11 H new ATOM 780 N GLN A 53 -12.044 7.050 4.228 1.00 25.24 N ATOM 781 CA GLN A 53 -12.939 6.179 3.423 1.00 3.44 C ATOM 782 C GLN A 53 -12.224 4.868 3.046 1.00 74.41 C ATOM 783 O GLN A 53 -12.844 3.804 2.967 1.00 13.31 O ATOM 784 CB GLN A 53 -13.374 6.936 2.137 1.00 63.14 C ATOM 785 CG GLN A 53 -14.390 6.204 1.226 1.00 51.13 C ATOM 786 CD GLN A 53 -15.780 6.047 1.852 1.00 14.35 C ATOM 787 OE1 GLN A 53 -16.226 6.881 2.648 1.00 63.12 O ATOM 788 NE2 GLN A 53 -16.479 4.980 1.507 1.00 32.40 N ATOM 0 H GLN A 53 -11.686 7.850 3.706 1.00 25.24 H new ATOM 0 HA GLN A 53 -13.819 5.931 4.016 1.00 3.44 H new ATOM 0 HB2 GLN A 53 -13.805 7.893 2.431 1.00 63.14 H new ATOM 0 HB3 GLN A 53 -12.482 7.155 1.550 1.00 63.14 H new ATOM 0 HG2 GLN A 53 -14.484 6.752 0.288 1.00 51.13 H new ATOM 0 HG3 GLN A 53 -13.999 5.217 0.981 1.00 51.13 H new ATOM 0 HE21 GLN A 53 -16.089 4.306 0.848 1.00 32.40 H new ATOM 0 HE22 GLN A 53 -17.408 4.830 1.900 1.00 32.40 H new ATOM 797 N PHE A 54 -10.907 4.972 2.837 1.00 63.22 N ATOM 798 CA PHE A 54 -10.042 3.857 2.440 1.00 63.41 C ATOM 799 C PHE A 54 -9.962 2.812 3.559 1.00 22.02 C ATOM 800 O PHE A 54 -10.238 1.633 3.342 1.00 34.43 O ATOM 801 CB PHE A 54 -8.632 4.422 2.092 1.00 63.11 C ATOM 802 CG PHE A 54 -7.558 3.379 1.774 1.00 61.53 C ATOM 803 CD1 PHE A 54 -7.456 2.822 0.505 1.00 11.32 C ATOM 804 CD2 PHE A 54 -6.651 2.955 2.751 1.00 74.42 C ATOM 805 CE1 PHE A 54 -6.488 1.880 0.225 1.00 73.33 C ATOM 806 CE2 PHE A 54 -5.684 2.010 2.464 1.00 21.11 C ATOM 807 CZ PHE A 54 -5.605 1.471 1.203 1.00 41.54 C ATOM 0 H PHE A 54 -10.403 5.852 2.941 1.00 63.22 H new ATOM 0 HA PHE A 54 -10.456 3.359 1.563 1.00 63.41 H new ATOM 0 HB2 PHE A 54 -8.730 5.089 1.235 1.00 63.11 H new ATOM 0 HB3 PHE A 54 -8.287 5.028 2.930 1.00 63.11 H new ATOM 0 HD1 PHE A 54 -8.142 3.130 -0.270 1.00 11.32 H new ATOM 0 HD2 PHE A 54 -6.707 3.373 3.745 1.00 74.42 H new ATOM 0 HE1 PHE A 54 -6.421 1.459 -0.767 1.00 73.33 H new ATOM 0 HE2 PHE A 54 -4.991 1.696 3.231 1.00 21.11 H new ATOM 0 HZ PHE A 54 -4.853 0.729 0.978 1.00 41.54 H new ATOM 817 N ALA A 55 -9.584 3.263 4.759 1.00 43.31 N ATOM 818 CA ALA A 55 -9.452 2.381 5.927 1.00 24.35 C ATOM 819 C ALA A 55 -10.815 1.798 6.360 1.00 40.33 C ATOM 820 O ALA A 55 -10.882 0.718 6.938 1.00 3.42 O ATOM 821 CB ALA A 55 -8.764 3.126 7.077 1.00 33.55 C ATOM 0 H ALA A 55 -9.362 4.240 4.949 1.00 43.31 H new ATOM 0 HA ALA A 55 -8.826 1.534 5.645 1.00 24.35 H new ATOM 0 HB1 ALA A 55 -8.672 2.462 7.937 1.00 33.55 H new ATOM 0 HB2 ALA A 55 -7.772 3.449 6.760 1.00 33.55 H new ATOM 0 HB3 ALA A 55 -9.358 3.997 7.353 1.00 33.55 H new ATOM 827 N LYS A 56 -11.885 2.533 6.036 1.00 72.14 N ATOM 828 CA LYS A 56 -13.283 2.161 6.329 1.00 54.14 C ATOM 829 C LYS A 56 -13.736 0.874 5.593 1.00 1.53 C ATOM 830 O LYS A 56 -14.218 -0.075 6.227 1.00 32.01 O ATOM 831 CB LYS A 56 -14.170 3.364 5.900 1.00 62.24 C ATOM 832 CG LYS A 56 -15.696 3.138 5.839 1.00 64.15 C ATOM 833 CD LYS A 56 -16.385 4.166 4.911 1.00 63.15 C ATOM 834 CE LYS A 56 -17.903 3.978 4.818 1.00 54.12 C ATOM 835 NZ LYS A 56 -18.281 2.622 4.342 1.00 42.24 N ATOM 0 H LYS A 56 -11.806 3.426 5.550 1.00 72.14 H new ATOM 0 HA LYS A 56 -13.378 1.942 7.393 1.00 54.14 H new ATOM 0 HB2 LYS A 56 -13.979 4.186 6.590 1.00 62.24 H new ATOM 0 HB3 LYS A 56 -13.839 3.692 4.915 1.00 62.24 H new ATOM 0 HG2 LYS A 56 -15.901 2.129 5.482 1.00 64.15 H new ATOM 0 HG3 LYS A 56 -16.116 3.213 6.842 1.00 64.15 H new ATOM 0 HD2 LYS A 56 -16.172 5.172 5.273 1.00 63.15 H new ATOM 0 HD3 LYS A 56 -15.955 4.089 3.913 1.00 63.15 H new ATOM 0 HE2 LYS A 56 -18.348 4.153 5.798 1.00 54.12 H new ATOM 0 HE3 LYS A 56 -18.318 4.726 4.142 1.00 54.12 H new ATOM 0 HZ1 LYS A 56 -19.308 2.584 4.183 1.00 42.24 H new ATOM 0 HZ2 LYS A 56 -17.785 2.416 3.451 1.00 42.24 H new ATOM 0 HZ3 LYS A 56 -18.015 1.916 5.058 1.00 42.24 H new ATOM 849 N GLU A 57 -13.605 0.864 4.256 1.00 73.41 N ATOM 850 CA GLU A 57 -14.171 -0.209 3.397 1.00 41.35 C ATOM 851 C GLU A 57 -13.092 -1.087 2.728 1.00 73.13 C ATOM 852 O GLU A 57 -13.293 -2.292 2.568 1.00 71.23 O ATOM 853 CB GLU A 57 -15.111 0.408 2.316 1.00 21.45 C ATOM 854 CG GLU A 57 -14.498 1.591 1.529 1.00 4.41 C ATOM 855 CD GLU A 57 -15.067 1.773 0.118 1.00 30.20 C ATOM 856 OE1 GLU A 57 -16.126 2.421 -0.033 1.00 61.02 O ATOM 857 OE2 GLU A 57 -14.457 1.271 -0.851 1.00 31.22 O ATOM 0 H GLU A 57 -13.110 1.589 3.737 1.00 73.41 H new ATOM 0 HA GLU A 57 -14.742 -0.866 4.054 1.00 41.35 H new ATOM 0 HB2 GLU A 57 -15.394 -0.373 1.610 1.00 21.45 H new ATOM 0 HB3 GLU A 57 -16.027 0.747 2.800 1.00 21.45 H new ATOM 0 HG2 GLU A 57 -14.658 2.509 2.094 1.00 4.41 H new ATOM 0 HG3 GLU A 57 -13.420 1.445 1.457 1.00 4.41 H new ATOM 864 N VAL A 58 -11.947 -0.489 2.385 1.00 44.43 N ATOM 865 CA VAL A 58 -10.926 -1.123 1.521 1.00 12.04 C ATOM 866 C VAL A 58 -9.968 -2.018 2.345 1.00 54.22 C ATOM 867 O VAL A 58 -9.637 -3.146 1.930 1.00 75.30 O ATOM 868 CB VAL A 58 -10.119 -0.019 0.752 1.00 33.12 C ATOM 869 CG1 VAL A 58 -9.048 -0.628 -0.160 1.00 44.03 C ATOM 870 CG2 VAL A 58 -11.070 0.911 -0.034 1.00 43.53 C ATOM 0 H VAL A 58 -11.694 0.449 2.695 1.00 44.43 H new ATOM 0 HA VAL A 58 -11.437 -1.761 0.800 1.00 12.04 H new ATOM 0 HB VAL A 58 -9.597 0.585 1.494 1.00 33.12 H new ATOM 0 HG11 VAL A 58 -8.512 0.169 -0.674 1.00 44.03 H new ATOM 0 HG12 VAL A 58 -8.347 -1.209 0.440 1.00 44.03 H new ATOM 0 HG13 VAL A 58 -9.523 -1.278 -0.895 1.00 44.03 H new ATOM 0 HG21 VAL A 58 -10.487 1.668 -0.559 1.00 43.53 H new ATOM 0 HG22 VAL A 58 -11.637 0.325 -0.757 1.00 43.53 H new ATOM 0 HG23 VAL A 58 -11.757 1.398 0.658 1.00 43.53 H new ATOM 880 N LEU A 59 -9.535 -1.508 3.519 1.00 31.11 N ATOM 881 CA LEU A 59 -8.648 -2.261 4.434 1.00 23.32 C ATOM 882 C LEU A 59 -9.314 -3.564 4.969 1.00 22.45 C ATOM 883 O LEU A 59 -8.693 -4.620 4.868 1.00 20.11 O ATOM 884 CB LEU A 59 -8.128 -1.384 5.618 1.00 1.15 C ATOM 885 CG LEU A 59 -7.015 -0.341 5.298 1.00 24.23 C ATOM 886 CD1 LEU A 59 -6.440 0.258 6.604 1.00 11.52 C ATOM 887 CD2 LEU A 59 -5.905 -0.949 4.414 1.00 41.00 C ATOM 0 H LEU A 59 -9.785 -0.578 3.855 1.00 31.11 H new ATOM 0 HA LEU A 59 -7.786 -2.551 3.834 1.00 23.32 H new ATOM 0 HB2 LEU A 59 -8.979 -0.851 6.042 1.00 1.15 H new ATOM 0 HB3 LEU A 59 -7.752 -2.052 6.393 1.00 1.15 H new ATOM 0 HG LEU A 59 -7.467 0.470 4.726 1.00 24.23 H new ATOM 0 HD11 LEU A 59 -5.664 0.984 6.361 1.00 11.52 H new ATOM 0 HD12 LEU A 59 -7.237 0.751 7.160 1.00 11.52 H new ATOM 0 HD13 LEU A 59 -6.013 -0.539 7.213 1.00 11.52 H new ATOM 0 HD21 LEU A 59 -5.146 -0.193 4.211 1.00 41.00 H new ATOM 0 HD22 LEU A 59 -5.448 -1.792 4.932 1.00 41.00 H new ATOM 0 HD23 LEU A 59 -6.336 -1.292 3.473 1.00 41.00 H new ATOM 899 N PRO A 60 -10.569 -3.540 5.549 1.00 20.13 N ATOM 900 CA PRO A 60 -11.228 -4.786 6.050 1.00 14.45 C ATOM 901 C PRO A 60 -11.673 -5.736 4.901 1.00 32.40 C ATOM 902 O PRO A 60 -12.114 -6.864 5.160 1.00 44.24 O ATOM 903 CB PRO A 60 -12.427 -4.248 6.877 1.00 32.24 C ATOM 904 CG PRO A 60 -12.755 -2.927 6.251 1.00 45.02 C ATOM 905 CD PRO A 60 -11.438 -2.350 5.790 1.00 14.20 C ATOM 0 HA PRO A 60 -10.554 -5.407 6.640 1.00 14.45 H new ATOM 0 HB2 PRO A 60 -13.277 -4.929 6.833 1.00 32.24 H new ATOM 0 HB3 PRO A 60 -12.164 -4.134 7.929 1.00 32.24 H new ATOM 0 HG2 PRO A 60 -13.442 -3.051 5.414 1.00 45.02 H new ATOM 0 HG3 PRO A 60 -13.242 -2.265 6.967 1.00 45.02 H new ATOM 0 HD2 PRO A 60 -11.560 -1.758 4.883 1.00 14.20 H new ATOM 0 HD3 PRO A 60 -11.008 -1.691 6.545 1.00 14.20 H new ATOM 913 N LYS A 61 -11.557 -5.258 3.645 1.00 0.11 N ATOM 914 CA LYS A 61 -11.847 -6.045 2.430 1.00 54.20 C ATOM 915 C LYS A 61 -10.659 -6.969 2.079 1.00 54.11 C ATOM 916 O LYS A 61 -10.809 -8.199 2.047 1.00 3.25 O ATOM 917 CB LYS A 61 -12.165 -5.073 1.255 1.00 64.22 C ATOM 918 CG LYS A 61 -12.625 -5.731 -0.062 1.00 54.41 C ATOM 919 CD LYS A 61 -12.971 -4.677 -1.146 1.00 3.11 C ATOM 920 CE LYS A 61 -13.451 -5.300 -2.466 1.00 25.13 C ATOM 921 NZ LYS A 61 -13.826 -4.256 -3.466 1.00 71.13 N ATOM 0 H LYS A 61 -11.256 -4.304 3.444 1.00 0.11 H new ATOM 0 HA LYS A 61 -12.713 -6.681 2.610 1.00 54.20 H new ATOM 0 HB2 LYS A 61 -12.941 -4.381 1.582 1.00 64.22 H new ATOM 0 HB3 LYS A 61 -11.274 -4.479 1.050 1.00 64.22 H new ATOM 0 HG2 LYS A 61 -11.839 -6.389 -0.433 1.00 54.41 H new ATOM 0 HG3 LYS A 61 -13.498 -6.355 0.130 1.00 54.41 H new ATOM 0 HD2 LYS A 61 -13.745 -4.012 -0.763 1.00 3.11 H new ATOM 0 HD3 LYS A 61 -12.091 -4.063 -1.340 1.00 3.11 H new ATOM 0 HE2 LYS A 61 -12.664 -5.932 -2.877 1.00 25.13 H new ATOM 0 HE3 LYS A 61 -14.309 -5.944 -2.273 1.00 25.13 H new ATOM 0 HZ1 LYS A 61 -14.486 -4.661 -4.160 1.00 71.13 H new ATOM 0 HZ2 LYS A 61 -14.282 -3.458 -2.980 1.00 71.13 H new ATOM 0 HZ3 LYS A 61 -12.972 -3.921 -3.955 1.00 71.13 H new ATOM 935 N TYR A 62 -9.480 -6.371 1.811 1.00 64.05 N ATOM 936 CA TYR A 62 -8.268 -7.130 1.389 1.00 21.44 C ATOM 937 C TYR A 62 -7.501 -7.699 2.585 1.00 53.21 C ATOM 938 O TYR A 62 -6.861 -8.757 2.477 1.00 64.23 O ATOM 939 CB TYR A 62 -7.332 -6.245 0.516 1.00 2.10 C ATOM 940 CG TYR A 62 -7.786 -6.157 -0.940 1.00 32.23 C ATOM 941 CD1 TYR A 62 -8.970 -5.503 -1.281 1.00 34.54 C ATOM 942 CD2 TYR A 62 -7.047 -6.752 -1.969 1.00 24.52 C ATOM 943 CE1 TYR A 62 -9.397 -5.438 -2.585 1.00 33.44 C ATOM 944 CE2 TYR A 62 -7.474 -6.689 -3.275 1.00 51.54 C ATOM 945 CZ TYR A 62 -8.648 -6.031 -3.579 1.00 2.42 C ATOM 946 OH TYR A 62 -9.081 -5.978 -4.881 1.00 44.05 O ATOM 0 H TYR A 62 -9.334 -5.364 1.877 1.00 64.05 H new ATOM 0 HA TYR A 62 -8.613 -7.972 0.789 1.00 21.44 H new ATOM 0 HB2 TYR A 62 -7.290 -5.242 0.940 1.00 2.10 H new ATOM 0 HB3 TYR A 62 -6.320 -6.649 0.552 1.00 2.10 H new ATOM 0 HD1 TYR A 62 -9.562 -5.039 -0.506 1.00 34.54 H new ATOM 0 HD2 TYR A 62 -6.128 -7.268 -1.734 1.00 24.52 H new ATOM 0 HE1 TYR A 62 -10.315 -4.925 -2.830 1.00 33.44 H new ATOM 0 HE2 TYR A 62 -6.893 -7.152 -4.059 1.00 51.54 H new ATOM 0 HH TYR A 62 -8.439 -6.442 -5.458 1.00 44.05 H new ATOM 956 N PHE A 63 -7.545 -6.978 3.705 1.00 22.42 N ATOM 957 CA PHE A 63 -6.891 -7.384 4.962 1.00 54.35 C ATOM 958 C PHE A 63 -7.976 -7.714 6.002 1.00 25.43 C ATOM 959 O PHE A 63 -9.176 -7.682 5.690 1.00 53.42 O ATOM 960 CB PHE A 63 -5.943 -6.250 5.454 1.00 31.41 C ATOM 961 CG PHE A 63 -4.968 -5.742 4.385 1.00 21.01 C ATOM 962 CD1 PHE A 63 -3.900 -6.530 3.959 1.00 60.14 C ATOM 963 CD2 PHE A 63 -5.138 -4.488 3.791 1.00 21.42 C ATOM 964 CE1 PHE A 63 -3.036 -6.079 2.973 1.00 71.23 C ATOM 965 CE2 PHE A 63 -4.273 -4.044 2.803 1.00 62.15 C ATOM 966 CZ PHE A 63 -3.221 -4.839 2.399 1.00 13.34 C ATOM 0 H PHE A 63 -8.038 -6.088 3.772 1.00 22.42 H new ATOM 0 HA PHE A 63 -6.282 -8.274 4.805 1.00 54.35 H new ATOM 0 HB2 PHE A 63 -6.547 -5.414 5.807 1.00 31.41 H new ATOM 0 HB3 PHE A 63 -5.372 -6.614 6.308 1.00 31.41 H new ATOM 0 HD1 PHE A 63 -3.744 -7.503 4.402 1.00 60.14 H new ATOM 0 HD2 PHE A 63 -5.955 -3.856 4.106 1.00 21.42 H new ATOM 0 HE1 PHE A 63 -2.214 -6.702 2.653 1.00 71.23 H new ATOM 0 HE2 PHE A 63 -4.423 -3.075 2.350 1.00 62.15 H new ATOM 0 HZ PHE A 63 -2.543 -4.491 1.634 1.00 13.34 H new ATOM 976 N LYS A 64 -7.570 -8.025 7.241 1.00 44.22 N ATOM 977 CA LYS A 64 -8.488 -8.469 8.310 1.00 3.52 C ATOM 978 C LYS A 64 -8.655 -7.380 9.395 1.00 53.33 C ATOM 979 O LYS A 64 -8.973 -7.681 10.552 1.00 63.41 O ATOM 980 CB LYS A 64 -7.971 -9.834 8.886 1.00 5.41 C ATOM 981 CG LYS A 64 -6.435 -9.957 9.128 1.00 73.12 C ATOM 982 CD LYS A 64 -5.888 -9.160 10.335 1.00 13.42 C ATOM 983 CE LYS A 64 -6.485 -9.611 11.688 1.00 10.22 C ATOM 984 NZ LYS A 64 -6.230 -11.056 11.977 1.00 21.14 N ATOM 0 H LYS A 64 -6.594 -7.977 7.535 1.00 44.22 H new ATOM 0 HA LYS A 64 -9.486 -8.629 7.901 1.00 3.52 H new ATOM 0 HB2 LYS A 64 -8.480 -10.018 9.832 1.00 5.41 H new ATOM 0 HB3 LYS A 64 -8.272 -10.628 8.202 1.00 5.41 H new ATOM 0 HG2 LYS A 64 -6.190 -11.010 9.268 1.00 73.12 H new ATOM 0 HG3 LYS A 64 -5.915 -9.625 8.229 1.00 73.12 H new ATOM 0 HD2 LYS A 64 -4.804 -9.267 10.371 1.00 13.42 H new ATOM 0 HD3 LYS A 64 -6.099 -8.101 10.188 1.00 13.42 H new ATOM 0 HE2 LYS A 64 -6.061 -9.004 12.488 1.00 10.22 H new ATOM 0 HE3 LYS A 64 -7.560 -9.429 11.685 1.00 10.22 H new ATOM 0 HZ1 LYS A 64 -6.591 -11.290 12.924 1.00 21.14 H new ATOM 0 HZ2 LYS A 64 -6.714 -11.643 11.267 1.00 21.14 H new ATOM 0 HZ3 LYS A 64 -5.207 -11.242 11.941 1.00 21.14 H new ATOM 998 N HIS A 65 -8.508 -6.106 8.987 1.00 13.03 N ATOM 999 CA HIS A 65 -8.472 -4.954 9.921 1.00 65.41 C ATOM 1000 C HIS A 65 -8.857 -3.669 9.177 1.00 30.31 C ATOM 1001 O HIS A 65 -8.647 -3.577 7.969 1.00 23.12 O ATOM 1002 CB HIS A 65 -7.059 -4.809 10.560 1.00 31.51 C ATOM 1003 CG HIS A 65 -5.956 -4.469 9.584 1.00 24.13 C ATOM 1004 ND1 HIS A 65 -5.568 -3.173 9.296 1.00 20.41 N ATOM 1005 CD2 HIS A 65 -5.162 -5.265 8.829 1.00 33.21 C ATOM 1006 CE1 HIS A 65 -4.592 -3.195 8.412 1.00 2.12 C ATOM 1007 NE2 HIS A 65 -4.323 -4.449 8.109 1.00 5.11 N ATOM 0 H HIS A 65 -8.411 -5.842 8.007 1.00 13.03 H new ATOM 0 HA HIS A 65 -9.190 -5.129 10.722 1.00 65.41 H new ATOM 0 HB2 HIS A 65 -7.099 -4.034 11.326 1.00 31.51 H new ATOM 0 HB3 HIS A 65 -6.805 -5.742 11.063 1.00 31.51 H new ATOM 0 HD2 HIS A 65 -5.184 -6.344 8.798 1.00 33.21 H new ATOM 0 HE1 HIS A 65 -4.094 -2.328 8.003 1.00 2.12 H new ATOM 0 HE2 HIS A 65 -3.610 -4.762 7.450 1.00 5.11 H new ATOM 1016 N ASN A 66 -9.353 -2.660 9.920 1.00 22.21 N ATOM 1017 CA ASN A 66 -9.818 -1.373 9.344 1.00 13.42 C ATOM 1018 C ASN A 66 -8.988 -0.187 9.861 1.00 71.53 C ATOM 1019 O ASN A 66 -9.162 0.939 9.395 1.00 23.40 O ATOM 1020 CB ASN A 66 -11.334 -1.130 9.625 1.00 4.22 C ATOM 1021 CG ASN A 66 -11.747 -1.176 11.108 1.00 71.53 C ATOM 1022 OD1 ASN A 66 -10.933 -1.000 12.026 1.00 60.44 O ATOM 1023 ND2 ASN A 66 -13.035 -1.370 11.354 1.00 11.43 N ATOM 0 H ASN A 66 -9.444 -2.709 10.935 1.00 22.21 H new ATOM 0 HA ASN A 66 -9.677 -1.445 8.266 1.00 13.42 H new ATOM 0 HB2 ASN A 66 -11.610 -0.157 9.219 1.00 4.22 H new ATOM 0 HB3 ASN A 66 -11.911 -1.878 9.081 1.00 4.22 H new ATOM 0 HD21 ASN A 66 -13.375 -1.377 12.316 1.00 11.43 H new ATOM 0 HD22 ASN A 66 -13.686 -1.513 10.582 1.00 11.43 H new ATOM 1030 N ASN A 67 -8.102 -0.439 10.840 1.00 51.04 N ATOM 1031 CA ASN A 67 -7.273 0.616 11.455 1.00 42.24 C ATOM 1032 C ASN A 67 -6.172 1.059 10.469 1.00 42.52 C ATOM 1033 O ASN A 67 -5.360 0.228 10.025 1.00 50.14 O ATOM 1034 CB ASN A 67 -6.669 0.111 12.794 1.00 22.10 C ATOM 1035 CG ASN A 67 -6.057 1.213 13.680 1.00 61.41 C ATOM 1036 OD1 ASN A 67 -5.545 2.225 13.205 1.00 33.21 O ATOM 1037 ND2 ASN A 67 -6.101 1.014 14.987 1.00 31.34 N ATOM 0 H ASN A 67 -7.940 -1.369 11.225 1.00 51.04 H new ATOM 0 HA ASN A 67 -7.895 1.483 11.678 1.00 42.24 H new ATOM 0 HB2 ASN A 67 -7.449 -0.399 13.359 1.00 22.10 H new ATOM 0 HB3 ASN A 67 -5.899 -0.629 12.574 1.00 22.10 H new ATOM 0 HD21 ASN A 67 -5.705 1.707 15.622 1.00 31.34 H new ATOM 0 HD22 ASN A 67 -6.531 0.167 15.360 1.00 31.34 H new ATOM 1044 N MET A 68 -6.171 2.370 10.137 1.00 74.21 N ATOM 1045 CA MET A 68 -5.184 2.997 9.233 1.00 34.20 C ATOM 1046 C MET A 68 -3.753 2.834 9.772 1.00 24.40 C ATOM 1047 O MET A 68 -2.841 2.463 9.030 1.00 24.31 O ATOM 1048 CB MET A 68 -5.502 4.510 9.061 1.00 43.13 C ATOM 1049 CG MET A 68 -4.609 5.293 8.064 1.00 21.21 C ATOM 1050 SD MET A 68 -5.174 5.188 6.348 1.00 42.11 S ATOM 1051 CE MET A 68 -4.622 3.582 5.793 1.00 42.14 C ATOM 0 H MET A 68 -6.864 3.028 10.494 1.00 74.21 H new ATOM 0 HA MET A 68 -5.250 2.495 8.268 1.00 34.20 H new ATOM 0 HB2 MET A 68 -6.539 4.607 8.740 1.00 43.13 H new ATOM 0 HB3 MET A 68 -5.425 4.989 10.037 1.00 43.13 H new ATOM 0 HG2 MET A 68 -4.577 6.341 8.364 1.00 21.21 H new ATOM 0 HG3 MET A 68 -3.590 4.912 8.126 1.00 21.21 H new ATOM 0 HE1 MET A 68 -3.963 3.701 4.933 1.00 42.14 H new ATOM 0 HE2 MET A 68 -4.081 3.085 6.598 1.00 42.14 H new ATOM 0 HE3 MET A 68 -5.484 2.979 5.509 1.00 42.14 H new ATOM 1061 N ALA A 69 -3.592 3.097 11.084 1.00 65.44 N ATOM 1062 CA ALA A 69 -2.295 3.005 11.780 1.00 31.11 C ATOM 1063 C ALA A 69 -1.706 1.579 11.724 1.00 52.33 C ATOM 1064 O ALA A 69 -0.487 1.420 11.631 1.00 2.42 O ATOM 1065 CB ALA A 69 -2.433 3.475 13.233 1.00 51.34 C ATOM 0 H ALA A 69 -4.361 3.380 11.692 1.00 65.44 H new ATOM 0 HA ALA A 69 -1.598 3.662 11.259 1.00 31.11 H new ATOM 0 HB1 ALA A 69 -1.467 3.401 13.733 1.00 51.34 H new ATOM 0 HB2 ALA A 69 -2.772 4.511 13.250 1.00 51.34 H new ATOM 0 HB3 ALA A 69 -3.159 2.848 13.751 1.00 51.34 H new ATOM 1071 N SER A 70 -2.585 0.554 11.766 1.00 31.32 N ATOM 1072 CA SER A 70 -2.185 -0.865 11.626 1.00 4.22 C ATOM 1073 C SER A 70 -1.568 -1.142 10.233 1.00 1.33 C ATOM 1074 O SER A 70 -0.564 -1.853 10.123 1.00 71.03 O ATOM 1075 CB SER A 70 -3.403 -1.784 11.868 1.00 34.22 C ATOM 1076 OG SER A 70 -3.063 -3.156 11.745 1.00 14.35 O ATOM 0 H SER A 70 -3.588 0.685 11.897 1.00 31.32 H new ATOM 0 HA SER A 70 -1.422 -1.078 12.375 1.00 4.22 H new ATOM 0 HB2 SER A 70 -3.806 -1.598 12.863 1.00 34.22 H new ATOM 0 HB3 SER A 70 -4.190 -1.540 11.154 1.00 34.22 H new ATOM 0 HG SER A 70 -3.858 -3.706 11.906 1.00 14.35 H new ATOM 1082 N PHE A 71 -2.178 -0.543 9.189 1.00 72.04 N ATOM 1083 CA PHE A 71 -1.728 -0.664 7.781 1.00 45.02 C ATOM 1084 C PHE A 71 -0.330 -0.041 7.596 1.00 20.24 C ATOM 1085 O PHE A 71 0.596 -0.696 7.094 1.00 1.13 O ATOM 1086 CB PHE A 71 -2.768 0.034 6.855 1.00 32.43 C ATOM 1087 CG PHE A 71 -2.400 0.112 5.367 1.00 12.53 C ATOM 1088 CD1 PHE A 71 -2.391 -1.032 4.578 1.00 60.32 C ATOM 1089 CD2 PHE A 71 -2.080 1.331 4.757 1.00 63.14 C ATOM 1090 CE1 PHE A 71 -2.071 -0.970 3.234 1.00 53.45 C ATOM 1091 CE2 PHE A 71 -1.761 1.394 3.411 1.00 24.42 C ATOM 1092 CZ PHE A 71 -1.755 0.241 2.651 1.00 13.14 C ATOM 0 H PHE A 71 -3.005 0.044 9.298 1.00 72.04 H new ATOM 0 HA PHE A 71 -1.655 -1.719 7.516 1.00 45.02 H new ATOM 0 HB2 PHE A 71 -3.718 -0.493 6.947 1.00 32.43 H new ATOM 0 HB3 PHE A 71 -2.929 1.047 7.222 1.00 32.43 H new ATOM 0 HD1 PHE A 71 -2.638 -1.985 5.022 1.00 60.32 H new ATOM 0 HD2 PHE A 71 -2.082 2.236 5.346 1.00 63.14 H new ATOM 0 HE1 PHE A 71 -2.068 -1.871 2.639 1.00 53.45 H new ATOM 0 HE2 PHE A 71 -1.517 2.343 2.956 1.00 24.42 H new ATOM 0 HZ PHE A 71 -1.503 0.287 1.602 1.00 13.14 H new ATOM 1102 N VAL A 72 -0.208 1.223 8.032 1.00 75.34 N ATOM 1103 CA VAL A 72 1.033 2.012 7.940 1.00 24.15 C ATOM 1104 C VAL A 72 2.184 1.350 8.738 1.00 0.22 C ATOM 1105 O VAL A 72 3.321 1.311 8.261 1.00 44.10 O ATOM 1106 CB VAL A 72 0.786 3.484 8.444 1.00 54.44 C ATOM 1107 CG1 VAL A 72 2.061 4.354 8.349 1.00 63.43 C ATOM 1108 CG2 VAL A 72 -0.397 4.136 7.682 1.00 31.00 C ATOM 0 H VAL A 72 -0.978 1.733 8.464 1.00 75.34 H new ATOM 0 HA VAL A 72 1.332 2.045 6.892 1.00 24.15 H new ATOM 0 HB VAL A 72 0.522 3.425 9.500 1.00 54.44 H new ATOM 0 HG11 VAL A 72 1.843 5.360 8.707 1.00 63.43 H new ATOM 0 HG12 VAL A 72 2.848 3.914 8.961 1.00 63.43 H new ATOM 0 HG13 VAL A 72 2.392 4.402 7.312 1.00 63.43 H new ATOM 0 HG21 VAL A 72 -0.549 5.152 8.047 1.00 31.00 H new ATOM 0 HG22 VAL A 72 -0.172 4.163 6.616 1.00 31.00 H new ATOM 0 HG23 VAL A 72 -1.302 3.552 7.847 1.00 31.00 H new ATOM 1118 N ARG A 73 1.850 0.796 9.927 1.00 71.04 N ATOM 1119 CA ARG A 73 2.824 0.124 10.823 1.00 44.21 C ATOM 1120 C ARG A 73 3.530 -1.039 10.106 1.00 3.24 C ATOM 1121 O ARG A 73 4.761 -1.122 10.127 1.00 72.00 O ATOM 1122 CB ARG A 73 2.120 -0.417 12.093 1.00 74.23 C ATOM 1123 CG ARG A 73 3.059 -1.151 13.088 1.00 0.31 C ATOM 1124 CD ARG A 73 2.296 -1.874 14.205 1.00 55.21 C ATOM 1125 NE ARG A 73 1.506 -0.956 15.046 1.00 74.30 N ATOM 1126 CZ ARG A 73 0.258 -1.193 15.494 1.00 0.44 C ATOM 1127 NH1 ARG A 73 -0.382 -2.321 15.175 1.00 12.23 N ATOM 1128 NH2 ARG A 73 -0.348 -0.292 16.260 1.00 43.34 N ATOM 0 H ARG A 73 0.898 0.802 10.293 1.00 71.04 H new ATOM 0 HA ARG A 73 3.567 0.868 11.109 1.00 44.21 H new ATOM 0 HB2 ARG A 73 1.643 0.415 12.610 1.00 74.23 H new ATOM 0 HB3 ARG A 73 1.327 -1.101 11.790 1.00 74.23 H new ATOM 0 HG2 ARG A 73 3.665 -1.874 12.542 1.00 0.31 H new ATOM 0 HG3 ARG A 73 3.745 -0.430 13.532 1.00 0.31 H new ATOM 0 HD2 ARG A 73 1.632 -2.616 13.763 1.00 55.21 H new ATOM 0 HD3 ARG A 73 3.005 -2.414 14.832 1.00 55.21 H new ATOM 0 HE ARG A 73 1.939 -0.071 15.310 1.00 74.30 H new ATOM 0 HH11 ARG A 73 0.074 -3.017 14.585 1.00 12.23 H new ATOM 0 HH12 ARG A 73 -1.327 -2.487 15.522 1.00 12.23 H new ATOM 0 HH21 ARG A 73 0.132 0.574 16.506 1.00 43.34 H new ATOM 0 HH22 ARG A 73 -1.293 -0.466 16.602 1.00 43.34 H new ATOM 1142 N GLN A 74 2.716 -1.901 9.454 1.00 11.32 N ATOM 1143 CA GLN A 74 3.204 -3.077 8.715 1.00 14.22 C ATOM 1144 C GLN A 74 4.190 -2.656 7.620 1.00 15.31 C ATOM 1145 O GLN A 74 5.241 -3.269 7.456 1.00 54.14 O ATOM 1146 CB GLN A 74 2.031 -3.852 8.068 1.00 24.42 C ATOM 1147 CG GLN A 74 1.024 -4.468 9.049 1.00 2.40 C ATOM 1148 CD GLN A 74 1.651 -5.490 9.997 1.00 34.43 C ATOM 1149 OE1 GLN A 74 2.070 -5.160 11.107 1.00 72.41 O ATOM 1150 NE2 GLN A 74 1.750 -6.731 9.551 1.00 54.32 N ATOM 0 H GLN A 74 1.702 -1.796 9.429 1.00 11.32 H new ATOM 0 HA GLN A 74 3.710 -3.726 9.430 1.00 14.22 H new ATOM 0 HB2 GLN A 74 1.495 -3.176 7.402 1.00 24.42 H new ATOM 0 HB3 GLN A 74 2.443 -4.649 7.449 1.00 24.42 H new ATOM 0 HG2 GLN A 74 0.565 -3.672 9.636 1.00 2.40 H new ATOM 0 HG3 GLN A 74 0.225 -4.949 8.485 1.00 2.40 H new ATOM 0 HE21 GLN A 74 1.392 -6.971 8.626 1.00 54.32 H new ATOM 0 HE22 GLN A 74 2.184 -7.449 10.132 1.00 54.32 H new ATOM 1159 N LEU A 75 3.845 -1.577 6.902 1.00 64.20 N ATOM 1160 CA LEU A 75 4.670 -1.037 5.816 1.00 31.12 C ATOM 1161 C LEU A 75 6.018 -0.496 6.339 1.00 42.24 C ATOM 1162 O LEU A 75 7.049 -0.772 5.741 1.00 60.54 O ATOM 1163 CB LEU A 75 3.863 0.041 5.056 1.00 52.02 C ATOM 1164 CG LEU A 75 2.626 -0.515 4.284 1.00 4.51 C ATOM 1165 CD1 LEU A 75 1.711 0.606 3.801 1.00 12.11 C ATOM 1166 CD2 LEU A 75 3.067 -1.416 3.111 1.00 34.13 C ATOM 0 H LEU A 75 2.983 -1.054 7.060 1.00 64.20 H new ATOM 0 HA LEU A 75 4.919 -1.840 5.122 1.00 31.12 H new ATOM 0 HB2 LEU A 75 3.525 0.795 5.767 1.00 52.02 H new ATOM 0 HB3 LEU A 75 4.524 0.543 4.349 1.00 52.02 H new ATOM 0 HG LEU A 75 2.052 -1.124 4.982 1.00 4.51 H new ATOM 0 HD11 LEU A 75 0.862 0.178 3.268 1.00 12.11 H new ATOM 0 HD12 LEU A 75 1.352 1.177 4.657 1.00 12.11 H new ATOM 0 HD13 LEU A 75 2.265 1.265 3.132 1.00 12.11 H new ATOM 0 HD21 LEU A 75 2.187 -1.791 2.589 1.00 34.13 H new ATOM 0 HD22 LEU A 75 3.680 -0.839 2.419 1.00 34.13 H new ATOM 0 HD23 LEU A 75 3.646 -2.256 3.495 1.00 34.13 H new ATOM 1178 N ASN A 76 6.004 0.211 7.497 1.00 22.14 N ATOM 1179 CA ASN A 76 7.252 0.650 8.185 1.00 30.44 C ATOM 1180 C ASN A 76 8.125 -0.560 8.583 1.00 63.55 C ATOM 1181 O ASN A 76 9.365 -0.495 8.522 1.00 10.12 O ATOM 1182 CB ASN A 76 6.954 1.513 9.448 1.00 42.32 C ATOM 1183 CG ASN A 76 6.537 2.950 9.118 1.00 21.02 C ATOM 1184 OD1 ASN A 76 7.385 3.826 8.933 1.00 33.05 O ATOM 1185 ND2 ASN A 76 5.245 3.223 9.095 1.00 3.42 N ATOM 0 H ASN A 76 5.147 0.490 7.975 1.00 22.14 H new ATOM 0 HA ASN A 76 7.797 1.267 7.471 1.00 30.44 H new ATOM 0 HB2 ASN A 76 6.162 1.036 10.026 1.00 42.32 H new ATOM 0 HB3 ASN A 76 7.841 1.536 10.081 1.00 42.32 H new ATOM 0 HD21 ASN A 76 4.928 4.177 8.921 1.00 3.42 H new ATOM 0 HD22 ASN A 76 4.564 2.480 9.251 1.00 3.42 H new ATOM 1192 N MET A 77 7.461 -1.663 8.973 1.00 51.13 N ATOM 1193 CA MET A 77 8.131 -2.938 9.289 1.00 13.04 C ATOM 1194 C MET A 77 8.782 -3.522 8.023 1.00 13.05 C ATOM 1195 O MET A 77 9.916 -3.991 8.073 1.00 3.33 O ATOM 1196 CB MET A 77 7.125 -3.941 9.919 1.00 45.55 C ATOM 1197 CG MET A 77 6.590 -3.518 11.299 1.00 2.54 C ATOM 1198 SD MET A 77 5.067 -4.373 11.775 1.00 64.33 S ATOM 1199 CE MET A 77 5.454 -6.096 11.458 1.00 50.41 C ATOM 0 H MET A 77 6.447 -1.696 9.078 1.00 51.13 H new ATOM 0 HA MET A 77 8.917 -2.752 10.021 1.00 13.04 H new ATOM 0 HB2 MET A 77 6.283 -4.068 9.239 1.00 45.55 H new ATOM 0 HB3 MET A 77 7.609 -4.913 10.012 1.00 45.55 H new ATOM 0 HG2 MET A 77 7.355 -3.710 12.051 1.00 2.54 H new ATOM 0 HG3 MET A 77 6.408 -2.443 11.296 1.00 2.54 H new ATOM 0 HE1 MET A 77 4.652 -6.726 11.844 1.00 50.41 H new ATOM 0 HE2 MET A 77 5.556 -6.255 10.384 1.00 50.41 H new ATOM 0 HE3 MET A 77 6.390 -6.356 11.953 1.00 50.41 H new ATOM 1209 N TYR A 78 8.084 -3.408 6.873 1.00 53.04 N ATOM 1210 CA TYR A 78 8.585 -3.904 5.571 1.00 35.23 C ATOM 1211 C TYR A 78 9.569 -2.896 4.918 1.00 62.22 C ATOM 1212 O TYR A 78 10.110 -3.164 3.837 1.00 64.03 O ATOM 1213 CB TYR A 78 7.406 -4.215 4.603 1.00 42.02 C ATOM 1214 CG TYR A 78 6.502 -5.389 5.015 1.00 44.24 C ATOM 1215 CD1 TYR A 78 7.014 -6.680 5.138 1.00 43.34 C ATOM 1216 CD2 TYR A 78 5.134 -5.215 5.249 1.00 14.02 C ATOM 1217 CE1 TYR A 78 6.199 -7.742 5.485 1.00 61.23 C ATOM 1218 CE2 TYR A 78 4.322 -6.271 5.602 1.00 53.31 C ATOM 1219 CZ TYR A 78 4.856 -7.532 5.716 1.00 35.13 C ATOM 1220 OH TYR A 78 4.039 -8.592 6.059 1.00 2.12 O ATOM 0 H TYR A 78 7.163 -2.973 6.819 1.00 53.04 H new ATOM 0 HA TYR A 78 9.129 -4.829 5.763 1.00 35.23 H new ATOM 0 HB2 TYR A 78 6.790 -3.321 4.510 1.00 42.02 H new ATOM 0 HB3 TYR A 78 7.816 -4.424 3.615 1.00 42.02 H new ATOM 0 HD1 TYR A 78 8.065 -6.854 4.959 1.00 43.34 H new ATOM 0 HD2 TYR A 78 4.704 -4.229 5.151 1.00 14.02 H new ATOM 0 HE1 TYR A 78 6.614 -8.735 5.575 1.00 61.23 H new ATOM 0 HE2 TYR A 78 3.271 -6.108 5.788 1.00 53.31 H new ATOM 0 HH TYR A 78 3.192 -8.251 6.413 1.00 2.12 H new ATOM 1230 N GLY A 79 9.803 -1.743 5.580 1.00 13.34 N ATOM 1231 CA GLY A 79 10.796 -0.757 5.133 1.00 60.20 C ATOM 1232 C GLY A 79 10.296 0.195 4.057 1.00 24.31 C ATOM 1233 O GLY A 79 11.102 0.760 3.309 1.00 1.45 O ATOM 0 H GLY A 79 9.310 -1.476 6.432 1.00 13.34 H new ATOM 0 HA2 GLY A 79 11.124 -0.174 5.993 1.00 60.20 H new ATOM 0 HA3 GLY A 79 11.671 -1.286 4.755 1.00 60.20 H new ATOM 1237 N PHE A 80 8.969 0.361 3.959 1.00 3.03 N ATOM 1238 CA PHE A 80 8.345 1.354 3.068 1.00 20.30 C ATOM 1239 C PHE A 80 8.440 2.733 3.739 1.00 42.34 C ATOM 1240 O PHE A 80 8.078 2.888 4.913 1.00 11.43 O ATOM 1241 CB PHE A 80 6.861 0.993 2.755 1.00 25.01 C ATOM 1242 CG PHE A 80 6.670 -0.208 1.821 1.00 13.34 C ATOM 1243 CD1 PHE A 80 6.926 -1.508 2.256 1.00 1.15 C ATOM 1244 CD2 PHE A 80 6.227 -0.037 0.504 1.00 20.32 C ATOM 1245 CE1 PHE A 80 6.756 -2.594 1.409 1.00 21.15 C ATOM 1246 CE2 PHE A 80 6.058 -1.126 -0.339 1.00 3.42 C ATOM 1247 CZ PHE A 80 6.321 -2.402 0.114 1.00 51.23 C ATOM 0 H PHE A 80 8.297 -0.189 4.494 1.00 3.03 H new ATOM 0 HA PHE A 80 8.874 1.363 2.115 1.00 20.30 H new ATOM 0 HB2 PHE A 80 6.346 0.789 3.694 1.00 25.01 H new ATOM 0 HB3 PHE A 80 6.378 1.862 2.309 1.00 25.01 H new ATOM 0 HD1 PHE A 80 7.262 -1.672 3.269 1.00 1.15 H new ATOM 0 HD2 PHE A 80 6.014 0.957 0.139 1.00 20.32 H new ATOM 0 HE1 PHE A 80 6.965 -3.592 1.765 1.00 21.15 H new ATOM 0 HE2 PHE A 80 5.719 -0.974 -1.353 1.00 3.42 H new ATOM 0 HZ PHE A 80 6.187 -3.248 -0.543 1.00 51.23 H new ATOM 1257 N ARG A 81 8.916 3.728 2.984 1.00 43.23 N ATOM 1258 CA ARG A 81 9.245 5.054 3.517 1.00 2.24 C ATOM 1259 C ARG A 81 8.114 6.035 3.192 1.00 23.13 C ATOM 1260 O ARG A 81 7.656 6.114 2.046 1.00 22.51 O ATOM 1261 CB ARG A 81 10.605 5.532 2.951 1.00 43.23 C ATOM 1262 CG ARG A 81 11.094 6.910 3.476 1.00 50.10 C ATOM 1263 CD ARG A 81 12.574 7.172 3.148 1.00 2.33 C ATOM 1264 NE ARG A 81 13.446 6.170 3.794 1.00 33.31 N ATOM 1265 CZ ARG A 81 14.665 5.794 3.366 1.00 32.53 C ATOM 1266 NH1 ARG A 81 15.203 6.316 2.255 1.00 73.43 N ATOM 1267 NH2 ARG A 81 15.336 4.867 4.045 1.00 71.31 N ATOM 0 H ARG A 81 9.085 3.636 1.982 1.00 43.23 H new ATOM 0 HA ARG A 81 9.342 5.002 4.601 1.00 2.24 H new ATOM 0 HB2 ARG A 81 11.361 4.783 3.186 1.00 43.23 H new ATOM 0 HB3 ARG A 81 10.531 5.581 1.865 1.00 43.23 H new ATOM 0 HG2 ARG A 81 10.483 7.700 3.039 1.00 50.10 H new ATOM 0 HG3 ARG A 81 10.950 6.956 4.556 1.00 50.10 H new ATOM 0 HD2 ARG A 81 12.721 7.145 2.068 1.00 2.33 H new ATOM 0 HD3 ARG A 81 12.853 8.171 3.483 1.00 2.33 H new ATOM 0 HE ARG A 81 13.093 5.723 4.640 1.00 33.31 H new ATOM 0 HH11 ARG A 81 14.687 7.012 1.717 1.00 73.43 H new ATOM 0 HH12 ARG A 81 16.129 6.017 1.948 1.00 73.43 H new ATOM 0 HH21 ARG A 81 14.925 4.450 4.880 1.00 71.31 H new ATOM 0 HH22 ARG A 81 16.261 4.574 3.730 1.00 71.31 H new ATOM 1281 N LYS A 82 7.659 6.747 4.231 1.00 1.34 N ATOM 1282 CA LYS A 82 6.567 7.718 4.156 1.00 63.11 C ATOM 1283 C LYS A 82 7.010 8.988 3.397 1.00 64.13 C ATOM 1284 O LYS A 82 7.988 9.641 3.773 1.00 71.14 O ATOM 1285 CB LYS A 82 6.106 8.062 5.606 1.00 71.44 C ATOM 1286 CG LYS A 82 5.192 9.297 5.742 1.00 52.52 C ATOM 1287 CD LYS A 82 3.893 9.185 4.925 1.00 4.25 C ATOM 1288 CE LYS A 82 3.025 10.440 5.043 1.00 12.14 C ATOM 1289 NZ LYS A 82 2.627 10.710 6.455 1.00 51.40 N ATOM 0 H LYS A 82 8.052 6.659 5.168 1.00 1.34 H new ATOM 0 HA LYS A 82 5.732 7.289 3.602 1.00 63.11 H new ATOM 0 HB2 LYS A 82 5.582 7.198 6.015 1.00 71.44 H new ATOM 0 HB3 LYS A 82 6.992 8.219 6.222 1.00 71.44 H new ATOM 0 HG2 LYS A 82 4.941 9.441 6.793 1.00 52.52 H new ATOM 0 HG3 LYS A 82 5.740 10.183 5.421 1.00 52.52 H new ATOM 0 HD2 LYS A 82 4.139 9.013 3.877 1.00 4.25 H new ATOM 0 HD3 LYS A 82 3.325 8.319 5.266 1.00 4.25 H new ATOM 0 HE2 LYS A 82 3.571 11.297 4.649 1.00 12.14 H new ATOM 0 HE3 LYS A 82 2.131 10.322 4.430 1.00 12.14 H new ATOM 0 HZ1 LYS A 82 1.908 11.461 6.475 1.00 51.40 H new ATOM 0 HZ2 LYS A 82 2.235 9.844 6.877 1.00 51.40 H new ATOM 0 HZ3 LYS A 82 3.460 11.014 6.999 1.00 51.40 H new ATOM 1303 N VAL A 83 6.274 9.306 2.320 1.00 2.24 N ATOM 1304 CA VAL A 83 6.418 10.541 1.541 1.00 42.30 C ATOM 1305 C VAL A 83 5.008 11.126 1.336 1.00 61.12 C ATOM 1306 O VAL A 83 4.104 10.419 0.891 1.00 43.25 O ATOM 1307 CB VAL A 83 7.092 10.263 0.140 1.00 24.41 C ATOM 1308 CG1 VAL A 83 7.181 11.547 -0.716 1.00 71.42 C ATOM 1309 CG2 VAL A 83 8.480 9.595 0.304 1.00 42.13 C ATOM 0 H VAL A 83 5.543 8.693 1.959 1.00 2.24 H new ATOM 0 HA VAL A 83 7.061 11.240 2.077 1.00 42.30 H new ATOM 0 HB VAL A 83 6.451 9.562 -0.395 1.00 24.41 H new ATOM 0 HG11 VAL A 83 7.650 11.315 -1.672 1.00 71.42 H new ATOM 0 HG12 VAL A 83 6.179 11.939 -0.889 1.00 71.42 H new ATOM 0 HG13 VAL A 83 7.777 12.294 -0.191 1.00 71.42 H new ATOM 0 HG21 VAL A 83 8.917 9.417 -0.679 1.00 42.13 H new ATOM 0 HG22 VAL A 83 9.134 10.251 0.878 1.00 42.13 H new ATOM 0 HG23 VAL A 83 8.367 8.646 0.828 1.00 42.13 H new ATOM 1319 N VAL A 84 4.816 12.407 1.683 1.00 1.32 N ATOM 1320 CA VAL A 84 3.524 13.106 1.498 1.00 54.41 C ATOM 1321 C VAL A 84 3.691 14.200 0.426 1.00 25.01 C ATOM 1322 O VAL A 84 4.674 14.953 0.437 1.00 14.31 O ATOM 1323 CB VAL A 84 2.978 13.700 2.857 1.00 55.15 C ATOM 1324 CG1 VAL A 84 3.980 14.670 3.517 1.00 52.04 C ATOM 1325 CG2 VAL A 84 1.588 14.357 2.663 1.00 13.23 C ATOM 0 H VAL A 84 5.543 12.990 2.098 1.00 1.32 H new ATOM 0 HA VAL A 84 2.779 12.386 1.159 1.00 54.41 H new ATOM 0 HB VAL A 84 2.857 12.864 3.546 1.00 55.15 H new ATOM 0 HG11 VAL A 84 3.559 15.051 4.447 1.00 52.04 H new ATOM 0 HG12 VAL A 84 4.910 14.143 3.729 1.00 52.04 H new ATOM 0 HG13 VAL A 84 4.180 15.502 2.842 1.00 52.04 H new ATOM 0 HG21 VAL A 84 1.238 14.756 3.615 1.00 13.23 H new ATOM 0 HG22 VAL A 84 1.666 15.166 1.937 1.00 13.23 H new ATOM 0 HG23 VAL A 84 0.880 13.611 2.301 1.00 13.23 H new ATOM 1335 N HIS A 85 2.757 14.240 -0.535 1.00 23.23 N ATOM 1336 CA HIS A 85 2.796 15.201 -1.658 1.00 41.21 C ATOM 1337 C HIS A 85 1.806 16.340 -1.413 1.00 52.40 C ATOM 1338 O HIS A 85 2.049 17.477 -1.830 1.00 65.35 O ATOM 1339 CB HIS A 85 2.512 14.483 -2.998 1.00 14.42 C ATOM 1340 CG HIS A 85 3.514 13.404 -3.332 1.00 45.23 C ATOM 1341 ND1 HIS A 85 4.393 13.475 -4.397 1.00 44.13 N ATOM 1342 CD2 HIS A 85 3.780 12.224 -2.720 1.00 53.54 C ATOM 1343 CE1 HIS A 85 5.147 12.391 -4.411 1.00 43.21 C ATOM 1344 NE2 HIS A 85 4.796 11.622 -3.405 1.00 1.35 N ATOM 0 H HIS A 85 1.954 13.611 -0.560 1.00 23.23 H new ATOM 0 HA HIS A 85 3.796 15.631 -1.720 1.00 41.21 H new ATOM 0 HB2 HIS A 85 1.516 14.042 -2.960 1.00 14.42 H new ATOM 0 HB3 HIS A 85 2.504 15.220 -3.801 1.00 14.42 H new ATOM 0 HD1 HIS A 85 4.450 14.243 -5.066 1.00 44.13 H new ATOM 0 HD2 HIS A 85 3.279 11.831 -1.848 1.00 53.54 H new ATOM 0 HE1 HIS A 85 5.923 12.173 -5.130 1.00 43.21 H new ATOM 1504 N ARG A 96 -8.706 15.649 1.170 1.00 23.35 N ATOM 1505 CA ARG A 96 -8.366 14.226 1.016 1.00 11.31 C ATOM 1506 C ARG A 96 -6.897 13.984 1.415 1.00 2.52 C ATOM 1507 O ARG A 96 -6.020 14.831 1.166 1.00 61.54 O ATOM 1508 CB ARG A 96 -8.642 13.745 -0.444 1.00 71.21 C ATOM 1509 CG ARG A 96 -7.654 14.260 -1.525 1.00 21.51 C ATOM 1510 CD ARG A 96 -8.085 13.916 -2.968 1.00 30.21 C ATOM 1511 NE ARG A 96 -8.332 12.477 -3.177 1.00 43.35 N ATOM 1512 CZ ARG A 96 -8.275 11.837 -4.361 1.00 1.22 C ATOM 1513 NH1 ARG A 96 -7.975 12.486 -5.486 1.00 3.13 N ATOM 1514 NH2 ARG A 96 -8.514 10.533 -4.404 1.00 71.24 N ATOM 0 HA ARG A 96 -9.001 13.641 1.681 1.00 11.31 H new ATOM 0 HB2 ARG A 96 -8.628 12.655 -0.456 1.00 71.21 H new ATOM 0 HB3 ARG A 96 -9.649 14.054 -0.723 1.00 71.21 H new ATOM 0 HG2 ARG A 96 -7.557 15.342 -1.431 1.00 21.51 H new ATOM 0 HG3 ARG A 96 -6.668 13.834 -1.337 1.00 21.51 H new ATOM 0 HD2 ARG A 96 -8.991 14.472 -3.211 1.00 30.21 H new ATOM 0 HD3 ARG A 96 -7.311 14.249 -3.660 1.00 30.21 H new ATOM 0 HE ARG A 96 -8.566 11.919 -2.356 1.00 43.35 H new ATOM 0 HH11 ARG A 96 -7.783 13.487 -5.461 1.00 3.13 H new ATOM 0 HH12 ARG A 96 -7.937 11.981 -6.372 1.00 3.13 H new ATOM 0 HH21 ARG A 96 -8.738 10.027 -3.547 1.00 71.24 H new ATOM 0 HH22 ARG A 96 -8.474 10.036 -5.294 1.00 71.24 H new ATOM 1528 N ASP A 97 -6.655 12.843 2.049 1.00 33.23 N ATOM 1529 CA ASP A 97 -5.318 12.456 2.505 1.00 1.32 C ATOM 1530 C ASP A 97 -4.522 11.877 1.338 1.00 24.02 C ATOM 1531 O ASP A 97 -5.094 11.262 0.442 1.00 13.23 O ATOM 1532 CB ASP A 97 -5.417 11.417 3.641 1.00 45.33 C ATOM 1533 CG ASP A 97 -6.015 11.972 4.943 1.00 55.53 C ATOM 1534 OD1 ASP A 97 -7.235 12.251 4.970 1.00 61.35 O ATOM 1535 OD2 ASP A 97 -5.274 12.126 5.945 1.00 61.20 O ATOM 0 H ASP A 97 -7.378 12.157 2.263 1.00 33.23 H new ATOM 0 HA ASP A 97 -4.807 13.340 2.886 1.00 1.32 H new ATOM 0 HB2 ASP A 97 -6.026 10.579 3.301 1.00 45.33 H new ATOM 0 HB3 ASP A 97 -4.422 11.024 3.849 1.00 45.33 H new ATOM 1540 N ASP A 98 -3.208 12.103 1.358 1.00 42.32 N ATOM 1541 CA ASP A 98 -2.256 11.500 0.407 1.00 30.22 C ATOM 1542 C ASP A 98 -1.040 10.985 1.168 1.00 10.54 C ATOM 1543 O ASP A 98 -0.324 11.758 1.815 1.00 14.14 O ATOM 1544 CB ASP A 98 -1.801 12.506 -0.672 1.00 15.32 C ATOM 1545 CG ASP A 98 -0.678 11.944 -1.566 1.00 55.14 C ATOM 1546 OD1 ASP A 98 -0.942 10.985 -2.321 1.00 12.30 O ATOM 1547 OD2 ASP A 98 0.470 12.436 -1.492 1.00 24.21 O ATOM 0 H ASP A 98 -2.763 12.716 2.041 1.00 42.32 H new ATOM 0 HA ASP A 98 -2.764 10.679 -0.099 1.00 30.22 H new ATOM 0 HB2 ASP A 98 -2.654 12.778 -1.294 1.00 15.32 H new ATOM 0 HB3 ASP A 98 -1.454 13.420 -0.189 1.00 15.32 H new ATOM 1552 N THR A 99 -0.822 9.677 1.099 1.00 31.11 N ATOM 1553 CA THR A 99 0.302 9.013 1.742 1.00 14.40 C ATOM 1554 C THR A 99 0.932 8.017 0.753 1.00 0.10 C ATOM 1555 O THR A 99 0.338 6.986 0.434 1.00 31.45 O ATOM 1556 CB THR A 99 -0.206 8.307 3.033 1.00 72.21 C ATOM 1557 OG1 THR A 99 -0.800 9.292 3.890 1.00 61.10 O ATOM 1558 CG2 THR A 99 0.899 7.597 3.799 1.00 3.02 C ATOM 0 H THR A 99 -1.431 9.040 0.587 1.00 31.11 H new ATOM 0 HA THR A 99 1.070 9.732 2.027 1.00 14.40 H new ATOM 0 HB THR A 99 -0.926 7.548 2.727 1.00 72.21 H new ATOM 0 HG1 THR A 99 -0.966 8.900 4.773 1.00 61.10 H new ATOM 0 HG21 THR A 99 0.480 7.125 4.688 1.00 3.02 H new ATOM 0 HG22 THR A 99 1.351 6.836 3.163 1.00 3.02 H new ATOM 0 HG23 THR A 99 1.659 8.320 4.096 1.00 3.02 H new ATOM 1566 N GLU A 100 2.138 8.353 0.268 1.00 64.42 N ATOM 1567 CA GLU A 100 2.884 7.531 -0.692 1.00 44.23 C ATOM 1568 C GLU A 100 3.934 6.716 0.068 1.00 51.44 C ATOM 1569 O GLU A 100 4.788 7.284 0.759 1.00 64.10 O ATOM 1570 CB GLU A 100 3.584 8.395 -1.783 1.00 22.02 C ATOM 1571 CG GLU A 100 4.386 7.554 -2.821 1.00 60.20 C ATOM 1572 CD GLU A 100 5.307 8.382 -3.726 1.00 22.20 C ATOM 1573 OE1 GLU A 100 6.258 8.984 -3.195 1.00 10.14 O ATOM 1574 OE2 GLU A 100 5.095 8.427 -4.961 1.00 0.20 O ATOM 0 H GLU A 100 2.624 9.209 0.534 1.00 64.42 H new ATOM 0 HA GLU A 100 2.177 6.874 -1.200 1.00 44.23 H new ATOM 0 HB2 GLU A 100 2.831 8.983 -2.308 1.00 22.02 H new ATOM 0 HB3 GLU A 100 4.259 9.100 -1.299 1.00 22.02 H new ATOM 0 HG2 GLU A 100 4.986 6.817 -2.288 1.00 60.20 H new ATOM 0 HG3 GLU A 100 3.683 7.002 -3.445 1.00 60.20 H new ATOM 1581 N PHE A 101 3.834 5.390 -0.022 1.00 24.02 N ATOM 1582 CA PHE A 101 4.838 4.478 0.525 1.00 25.54 C ATOM 1583 C PHE A 101 5.749 4.016 -0.615 1.00 72.11 C ATOM 1584 O PHE A 101 5.275 3.423 -1.596 1.00 55.15 O ATOM 1585 CB PHE A 101 4.155 3.276 1.207 1.00 0.44 C ATOM 1586 CG PHE A 101 3.225 3.663 2.349 1.00 42.35 C ATOM 1587 CD1 PHE A 101 3.736 3.943 3.617 1.00 45.02 C ATOM 1588 CD2 PHE A 101 1.841 3.743 2.158 1.00 15.14 C ATOM 1589 CE1 PHE A 101 2.895 4.283 4.654 1.00 15.12 C ATOM 1590 CE2 PHE A 101 1.004 4.083 3.199 1.00 50.34 C ATOM 1591 CZ PHE A 101 1.533 4.349 4.446 1.00 31.11 C ATOM 0 H PHE A 101 3.053 4.917 -0.477 1.00 24.02 H new ATOM 0 HA PHE A 101 5.435 4.989 1.280 1.00 25.54 H new ATOM 0 HB2 PHE A 101 3.587 2.721 0.460 1.00 0.44 H new ATOM 0 HB3 PHE A 101 4.922 2.602 1.588 1.00 0.44 H new ATOM 0 HD1 PHE A 101 4.801 3.893 3.787 1.00 45.02 H new ATOM 0 HD2 PHE A 101 1.424 3.536 1.184 1.00 15.14 H new ATOM 0 HE1 PHE A 101 3.303 4.498 5.631 1.00 15.12 H new ATOM 0 HE2 PHE A 101 -0.063 4.141 3.040 1.00 50.34 H new ATOM 0 HZ PHE A 101 0.877 4.610 5.263 1.00 31.11 H new ATOM 1601 N GLN A 102 7.046 4.303 -0.484 1.00 0.10 N ATOM 1602 CA GLN A 102 8.057 3.965 -1.500 1.00 64.24 C ATOM 1603 C GLN A 102 8.975 2.846 -0.978 1.00 45.30 C ATOM 1604 O GLN A 102 9.275 2.784 0.216 1.00 64.25 O ATOM 1605 CB GLN A 102 8.880 5.227 -1.880 1.00 23.50 C ATOM 1606 CG GLN A 102 9.663 5.860 -0.711 1.00 34.33 C ATOM 1607 CD GLN A 102 10.587 7.010 -1.115 1.00 53.33 C ATOM 1608 OE1 GLN A 102 10.322 7.753 -2.064 1.00 41.23 O ATOM 1609 NE2 GLN A 102 11.697 7.153 -0.406 1.00 52.31 N ATOM 0 H GLN A 102 7.431 4.779 0.332 1.00 0.10 H new ATOM 0 HA GLN A 102 7.554 3.605 -2.398 1.00 64.24 H new ATOM 0 HB2 GLN A 102 9.583 4.962 -2.669 1.00 23.50 H new ATOM 0 HB3 GLN A 102 8.203 5.975 -2.294 1.00 23.50 H new ATOM 0 HG2 GLN A 102 8.952 6.225 0.030 1.00 34.33 H new ATOM 0 HG3 GLN A 102 10.258 5.085 -0.227 1.00 34.33 H new ATOM 0 HE21 GLN A 102 11.889 6.523 0.373 1.00 52.31 H new ATOM 0 HE22 GLN A 102 12.359 7.893 -0.639 1.00 52.31 H new ATOM 1618 N HIS A 103 9.402 1.958 -1.884 1.00 40.15 N ATOM 1619 CA HIS A 103 10.331 0.868 -1.566 1.00 3.11 C ATOM 1620 C HIS A 103 11.116 0.481 -2.843 1.00 30.55 C ATOM 1621 O HIS A 103 10.492 0.201 -3.871 1.00 13.01 O ATOM 1622 CB HIS A 103 9.553 -0.347 -0.997 1.00 12.25 C ATOM 1623 CG HIS A 103 10.411 -1.354 -0.291 1.00 75.34 C ATOM 1624 ND1 HIS A 103 11.095 -2.360 -0.928 1.00 23.33 N ATOM 1625 CD2 HIS A 103 10.716 -1.472 1.016 1.00 44.04 C ATOM 1626 CE1 HIS A 103 11.785 -3.045 -0.032 1.00 15.44 C ATOM 1627 NE2 HIS A 103 11.568 -2.523 1.148 1.00 74.14 N ATOM 0 H HIS A 103 9.112 1.976 -2.862 1.00 40.15 H new ATOM 0 HA HIS A 103 11.039 1.196 -0.805 1.00 3.11 H new ATOM 0 HB2 HIS A 103 8.793 0.015 -0.304 1.00 12.25 H new ATOM 0 HB3 HIS A 103 9.029 -0.843 -1.814 1.00 12.25 H new ATOM 0 HD2 HIS A 103 10.350 -0.845 1.815 1.00 44.04 H new ATOM 0 HE1 HIS A 103 12.421 -3.893 -0.239 1.00 15.44 H new ATOM 0 HE2 HIS A 103 11.973 -2.851 2.025 1.00 74.14 H new ATOM 1636 N PRO A 104 12.488 0.448 -2.803 1.00 21.31 N ATOM 1637 CA PRO A 104 13.331 0.139 -3.999 1.00 42.12 C ATOM 1638 C PRO A 104 13.114 -1.292 -4.535 1.00 4.23 C ATOM 1639 O PRO A 104 13.130 -1.518 -5.751 1.00 21.44 O ATOM 1640 CB PRO A 104 14.782 0.347 -3.481 1.00 63.41 C ATOM 1641 CG PRO A 104 14.687 0.179 -1.992 1.00 13.42 C ATOM 1642 CD PRO A 104 13.334 0.733 -1.607 1.00 73.44 C ATOM 0 HA PRO A 104 13.083 0.774 -4.849 1.00 42.12 H new ATOM 0 HB2 PRO A 104 15.466 -0.381 -3.918 1.00 63.41 H new ATOM 0 HB3 PRO A 104 15.158 1.336 -3.744 1.00 63.41 H new ATOM 0 HG2 PRO A 104 14.776 -0.870 -1.709 1.00 13.42 H new ATOM 0 HG3 PRO A 104 15.489 0.715 -1.485 1.00 13.42 H new ATOM 0 HD2 PRO A 104 12.941 0.248 -0.713 1.00 73.44 H new ATOM 0 HD3 PRO A 104 13.383 1.801 -1.395 1.00 73.44 H new ATOM 1650 N CYS A 105 12.866 -2.246 -3.613 1.00 12.20 N ATOM 1651 CA CYS A 105 12.652 -3.673 -3.963 1.00 42.21 C ATOM 1652 C CYS A 105 11.142 -3.976 -4.144 1.00 75.33 C ATOM 1653 O CYS A 105 10.691 -5.104 -3.955 1.00 14.45 O ATOM 1654 CB CYS A 105 13.289 -4.578 -2.878 1.00 30.24 C ATOM 1655 SG CYS A 105 15.018 -4.178 -2.509 1.00 52.12 S ATOM 0 H CYS A 105 12.808 -2.055 -2.613 1.00 12.20 H new ATOM 0 HA CYS A 105 13.139 -3.884 -4.915 1.00 42.21 H new ATOM 0 HB2 CYS A 105 12.704 -4.496 -1.962 1.00 30.24 H new ATOM 0 HB3 CYS A 105 13.228 -5.616 -3.204 1.00 30.24 H new ATOM 0 HG CYS A 105 15.463 -4.984 -1.591 1.00 52.12 H new ATOM 1661 N PHE A 106 10.378 -2.938 -4.506 1.00 24.24 N ATOM 1662 CA PHE A 106 8.958 -3.038 -4.877 1.00 41.03 C ATOM 1663 C PHE A 106 8.811 -2.413 -6.265 1.00 35.10 C ATOM 1664 O PHE A 106 9.023 -1.222 -6.410 1.00 41.30 O ATOM 1665 CB PHE A 106 8.076 -2.283 -3.835 1.00 72.43 C ATOM 1666 CG PHE A 106 6.568 -2.233 -4.140 1.00 34.44 C ATOM 1667 CD1 PHE A 106 5.730 -3.296 -3.799 1.00 11.31 C ATOM 1668 CD2 PHE A 106 5.988 -1.115 -4.758 1.00 73.30 C ATOM 1669 CE1 PHE A 106 4.368 -3.246 -4.059 1.00 14.35 C ATOM 1670 CE2 PHE A 106 4.629 -1.069 -5.019 1.00 70.13 C ATOM 1671 CZ PHE A 106 3.821 -2.135 -4.670 1.00 41.35 C ATOM 0 H PHE A 106 10.736 -1.984 -4.551 1.00 24.24 H new ATOM 0 HA PHE A 106 8.629 -4.077 -4.891 1.00 41.03 H new ATOM 0 HB2 PHE A 106 8.215 -2.754 -2.862 1.00 72.43 H new ATOM 0 HB3 PHE A 106 8.444 -1.260 -3.750 1.00 72.43 H new ATOM 0 HD1 PHE A 106 6.149 -4.172 -3.325 1.00 11.31 H new ATOM 0 HD2 PHE A 106 6.611 -0.277 -5.034 1.00 73.30 H new ATOM 0 HE1 PHE A 106 3.735 -4.077 -3.783 1.00 14.35 H new ATOM 0 HE2 PHE A 106 4.200 -0.200 -5.495 1.00 70.13 H new ATOM 0 HZ PHE A 106 2.761 -2.099 -4.875 1.00 41.35 H new ATOM 1681 N LEU A 107 8.539 -3.234 -7.283 1.00 4.44 N ATOM 1682 CA LEU A 107 8.167 -2.763 -8.638 1.00 62.43 C ATOM 1683 C LEU A 107 6.915 -3.526 -9.103 1.00 11.33 C ATOM 1684 O LEU A 107 6.454 -4.450 -8.415 1.00 15.24 O ATOM 1685 CB LEU A 107 9.334 -2.951 -9.649 1.00 65.23 C ATOM 1686 CG LEU A 107 10.640 -2.130 -9.404 1.00 23.41 C ATOM 1687 CD1 LEU A 107 11.785 -2.607 -10.333 1.00 33.34 C ATOM 1688 CD2 LEU A 107 10.376 -0.620 -9.568 1.00 15.23 C ATOM 0 H LEU A 107 8.568 -4.250 -7.199 1.00 4.44 H new ATOM 0 HA LEU A 107 7.953 -1.695 -8.595 1.00 62.43 H new ATOM 0 HB2 LEU A 107 9.599 -4.008 -9.664 1.00 65.23 H new ATOM 0 HB3 LEU A 107 8.962 -2.702 -10.643 1.00 65.23 H new ATOM 0 HG LEU A 107 10.960 -2.304 -8.377 1.00 23.41 H new ATOM 0 HD11 LEU A 107 12.681 -2.017 -10.139 1.00 33.34 H new ATOM 0 HD12 LEU A 107 11.995 -3.659 -10.141 1.00 33.34 H new ATOM 0 HD13 LEU A 107 11.486 -2.481 -11.374 1.00 33.34 H new ATOM 0 HD21 LEU A 107 11.299 -0.068 -9.393 1.00 15.23 H new ATOM 0 HD22 LEU A 107 10.020 -0.421 -10.579 1.00 15.23 H new ATOM 0 HD23 LEU A 107 9.621 -0.302 -8.848 1.00 15.23 H new ATOM 1700 N ARG A 108 6.378 -3.131 -10.275 1.00 63.55 N ATOM 1701 CA ARG A 108 5.159 -3.727 -10.855 1.00 2.34 C ATOM 1702 C ARG A 108 5.363 -5.225 -11.189 1.00 64.12 C ATOM 1703 O ARG A 108 4.902 -6.101 -10.440 1.00 63.51 O ATOM 1704 CB ARG A 108 4.723 -2.916 -12.114 1.00 13.14 C ATOM 1705 CG ARG A 108 3.476 -3.479 -12.845 1.00 72.33 C ATOM 1706 CD ARG A 108 3.077 -2.657 -14.077 1.00 42.52 C ATOM 1707 NE ARG A 108 1.958 -3.273 -14.825 1.00 44.21 N ATOM 1708 CZ ARG A 108 1.751 -3.139 -16.152 1.00 23.21 C ATOM 1709 NH1 ARG A 108 2.579 -2.413 -16.898 1.00 12.35 N ATOM 1710 NH2 ARG A 108 0.716 -3.745 -16.730 1.00 3.44 N ATOM 0 H ARG A 108 6.779 -2.388 -10.847 1.00 63.55 H new ATOM 0 HA ARG A 108 4.361 -3.676 -10.114 1.00 2.34 H new ATOM 0 HB2 ARG A 108 4.519 -1.888 -11.815 1.00 13.14 H new ATOM 0 HB3 ARG A 108 5.556 -2.885 -12.816 1.00 13.14 H new ATOM 0 HG2 ARG A 108 3.674 -4.506 -13.150 1.00 72.33 H new ATOM 0 HG3 ARG A 108 2.638 -3.509 -12.149 1.00 72.33 H new ATOM 0 HD2 ARG A 108 2.793 -1.652 -13.764 1.00 42.52 H new ATOM 0 HD3 ARG A 108 3.939 -2.553 -14.737 1.00 42.52 H new ATOM 0 HE ARG A 108 1.294 -3.841 -14.299 1.00 44.21 H new ATOM 0 HH11 ARG A 108 3.380 -1.951 -16.468 1.00 12.35 H new ATOM 0 HH12 ARG A 108 2.413 -2.319 -17.900 1.00 12.35 H new ATOM 0 HH21 ARG A 108 0.079 -4.311 -16.170 1.00 3.44 H new ATOM 0 HH22 ARG A 108 0.560 -3.643 -17.733 1.00 3.44 H new ATOM 1724 N GLY A 109 6.091 -5.503 -12.290 1.00 34.10 N ATOM 1725 CA GLY A 109 6.326 -6.873 -12.760 1.00 52.30 C ATOM 1726 C GLY A 109 7.429 -7.581 -12.003 1.00 74.33 C ATOM 1727 O GLY A 109 7.585 -8.796 -12.121 1.00 60.44 O ATOM 0 H GLY A 109 6.527 -4.786 -12.870 1.00 34.10 H new ATOM 0 HA2 GLY A 109 5.404 -7.446 -12.666 1.00 52.30 H new ATOM 0 HA3 GLY A 109 6.579 -6.848 -13.820 1.00 52.30 H new ATOM 1731 N GLN A 110 8.182 -6.825 -11.189 1.00 41.52 N ATOM 1732 CA GLN A 110 9.296 -7.361 -10.383 1.00 61.43 C ATOM 1733 C GLN A 110 8.761 -7.791 -8.987 1.00 45.12 C ATOM 1734 O GLN A 110 9.409 -7.585 -7.955 1.00 13.20 O ATOM 1735 CB GLN A 110 10.408 -6.284 -10.261 1.00 34.31 C ATOM 1736 CG GLN A 110 11.835 -6.793 -9.950 1.00 13.45 C ATOM 1737 CD GLN A 110 12.574 -7.436 -11.127 1.00 62.42 C ATOM 1738 OE1 GLN A 110 13.406 -8.329 -10.944 1.00 40.20 O ATOM 1739 NE2 GLN A 110 12.314 -6.974 -12.343 1.00 70.43 N ATOM 0 H GLN A 110 8.037 -5.822 -11.069 1.00 41.52 H new ATOM 0 HA GLN A 110 9.726 -8.238 -10.866 1.00 61.43 H new ATOM 0 HB2 GLN A 110 10.443 -5.723 -11.195 1.00 34.31 H new ATOM 0 HB3 GLN A 110 10.118 -5.583 -9.478 1.00 34.31 H new ATOM 0 HG2 GLN A 110 12.429 -5.956 -9.584 1.00 13.45 H new ATOM 0 HG3 GLN A 110 11.775 -7.520 -9.140 1.00 13.45 H new ATOM 0 HE21 GLN A 110 11.622 -6.235 -12.471 1.00 70.43 H new ATOM 0 HE22 GLN A 110 12.806 -7.357 -13.150 1.00 70.43 H new ATOM 1748 N GLU A 111 7.562 -8.412 -8.984 1.00 64.13 N ATOM 1749 CA GLU A 111 6.863 -8.863 -7.757 1.00 14.04 C ATOM 1750 C GLU A 111 7.570 -10.057 -7.072 1.00 65.42 C ATOM 1751 O GLU A 111 7.236 -10.417 -5.934 1.00 14.02 O ATOM 1752 CB GLU A 111 5.400 -9.235 -8.087 1.00 14.25 C ATOM 1753 CG GLU A 111 5.254 -10.336 -9.154 1.00 63.04 C ATOM 1754 CD GLU A 111 3.807 -10.803 -9.318 1.00 31.41 C ATOM 1755 OE1 GLU A 111 3.026 -10.109 -10.006 1.00 51.44 O ATOM 1756 OE2 GLU A 111 3.441 -11.856 -8.746 1.00 35.23 O ATOM 0 H GLU A 111 7.046 -8.617 -9.840 1.00 64.13 H new ATOM 0 HA GLU A 111 6.885 -8.031 -7.053 1.00 14.04 H new ATOM 0 HB2 GLU A 111 4.905 -9.563 -7.173 1.00 14.25 H new ATOM 0 HB3 GLU A 111 4.878 -8.341 -8.429 1.00 14.25 H new ATOM 0 HG2 GLU A 111 5.623 -9.963 -10.109 1.00 63.04 H new ATOM 0 HG3 GLU A 111 5.879 -11.187 -8.882 1.00 63.04 H new ATOM 1763 N GLN A 112 8.531 -10.683 -7.785 1.00 0.10 N ATOM 1764 CA GLN A 112 9.444 -11.694 -7.203 1.00 75.24 C ATOM 1765 C GLN A 112 10.368 -11.090 -6.113 1.00 70.20 C ATOM 1766 O GLN A 112 11.076 -11.832 -5.432 1.00 15.30 O ATOM 1767 CB GLN A 112 10.323 -12.389 -8.291 1.00 3.11 C ATOM 1768 CG GLN A 112 11.317 -11.462 -9.055 1.00 35.20 C ATOM 1769 CD GLN A 112 10.768 -10.857 -10.355 1.00 5.41 C ATOM 1770 OE1 GLN A 112 9.567 -10.639 -10.516 1.00 74.43 O ATOM 1771 NE2 GLN A 112 11.654 -10.558 -11.289 1.00 5.14 N ATOM 0 H GLN A 112 8.696 -10.504 -8.775 1.00 0.10 H new ATOM 0 HA GLN A 112 8.798 -12.441 -6.742 1.00 75.24 H new ATOM 0 HB2 GLN A 112 10.893 -13.187 -7.815 1.00 3.11 H new ATOM 0 HB3 GLN A 112 9.662 -12.859 -9.019 1.00 3.11 H new ATOM 0 HG2 GLN A 112 11.617 -10.650 -8.392 1.00 35.20 H new ATOM 0 HG3 GLN A 112 12.216 -12.032 -9.288 1.00 35.20 H new ATOM 0 HE21 GLN A 112 12.644 -10.748 -11.133 1.00 5.14 H new ATOM 0 HE22 GLN A 112 11.348 -10.137 -12.166 1.00 5.14 H new ATOM 1780 N LEU A 113 10.384 -9.747 -5.985 1.00 33.44 N ATOM 1781 CA LEU A 113 11.139 -9.046 -4.930 1.00 11.35 C ATOM 1782 C LEU A 113 10.284 -8.814 -3.665 1.00 40.33 C ATOM 1783 O LEU A 113 10.817 -8.334 -2.669 1.00 65.33 O ATOM 1784 CB LEU A 113 11.721 -7.694 -5.448 1.00 75.41 C ATOM 1785 CG LEU A 113 12.872 -7.774 -6.500 1.00 4.03 C ATOM 1786 CD1 LEU A 113 13.400 -6.362 -6.855 1.00 42.42 C ATOM 1787 CD2 LEU A 113 14.015 -8.698 -6.022 1.00 11.44 C ATOM 0 H LEU A 113 9.875 -9.121 -6.609 1.00 33.44 H new ATOM 0 HA LEU A 113 11.970 -9.696 -4.656 1.00 11.35 H new ATOM 0 HB2 LEU A 113 10.904 -7.118 -5.883 1.00 75.41 H new ATOM 0 HB3 LEU A 113 12.086 -7.131 -4.589 1.00 75.41 H new ATOM 0 HG LEU A 113 12.459 -8.214 -7.408 1.00 4.03 H new ATOM 0 HD11 LEU A 113 14.201 -6.447 -7.590 1.00 42.42 H new ATOM 0 HD12 LEU A 113 12.589 -5.764 -7.270 1.00 42.42 H new ATOM 0 HD13 LEU A 113 13.783 -5.880 -5.955 1.00 42.42 H new ATOM 0 HD21 LEU A 113 14.798 -8.729 -6.779 1.00 11.44 H new ATOM 0 HD22 LEU A 113 14.427 -8.314 -5.089 1.00 11.44 H new ATOM 0 HD23 LEU A 113 13.626 -9.703 -5.860 1.00 11.44 H new ATOM 1799 N LEU A 114 8.979 -9.169 -3.693 1.00 60.41 N ATOM 1800 CA LEU A 114 8.096 -9.059 -2.495 1.00 24.51 C ATOM 1801 C LEU A 114 8.542 -10.037 -1.380 1.00 62.31 C ATOM 1802 O LEU A 114 8.437 -9.732 -0.185 1.00 32.51 O ATOM 1803 CB LEU A 114 6.608 -9.309 -2.881 1.00 44.22 C ATOM 1804 CG LEU A 114 5.925 -8.227 -3.778 1.00 11.33 C ATOM 1805 CD1 LEU A 114 4.488 -8.647 -4.169 1.00 33.42 C ATOM 1806 CD2 LEU A 114 5.939 -6.851 -3.082 1.00 11.54 C ATOM 0 H LEU A 114 8.511 -9.532 -4.523 1.00 60.41 H new ATOM 0 HA LEU A 114 8.185 -8.044 -2.107 1.00 24.51 H new ATOM 0 HB2 LEU A 114 6.547 -10.267 -3.397 1.00 44.22 H new ATOM 0 HB3 LEU A 114 6.029 -9.404 -1.962 1.00 44.22 H new ATOM 0 HG LEU A 114 6.501 -8.142 -4.700 1.00 11.33 H new ATOM 0 HD11 LEU A 114 4.040 -7.874 -4.793 1.00 33.42 H new ATOM 0 HD12 LEU A 114 4.521 -9.586 -4.722 1.00 33.42 H new ATOM 0 HD13 LEU A 114 3.889 -8.778 -3.268 1.00 33.42 H new ATOM 0 HD21 LEU A 114 5.458 -6.113 -3.725 1.00 11.54 H new ATOM 0 HD22 LEU A 114 5.399 -6.916 -2.137 1.00 11.54 H new ATOM 0 HD23 LEU A 114 6.969 -6.550 -2.892 1.00 11.54 H new ATOM 1818 N GLU A 115 9.041 -11.211 -1.798 1.00 24.51 N ATOM 1819 CA GLU A 115 9.666 -12.205 -0.891 1.00 2.11 C ATOM 1820 C GLU A 115 11.087 -11.762 -0.459 1.00 50.33 C ATOM 1821 O GLU A 115 11.642 -12.289 0.512 1.00 41.11 O ATOM 1822 CB GLU A 115 9.731 -13.596 -1.571 1.00 32.40 C ATOM 1823 CG GLU A 115 10.395 -13.585 -2.967 1.00 13.34 C ATOM 1824 CD GLU A 115 10.609 -14.983 -3.567 1.00 3.32 C ATOM 1825 OE1 GLU A 115 9.609 -15.651 -3.915 1.00 52.31 O ATOM 1826 OE2 GLU A 115 11.777 -15.431 -3.673 1.00 15.13 O ATOM 0 H GLU A 115 9.026 -11.505 -2.775 1.00 24.51 H new ATOM 0 HA GLU A 115 9.044 -12.272 0.002 1.00 2.11 H new ATOM 0 HB2 GLU A 115 10.281 -14.280 -0.924 1.00 32.40 H new ATOM 0 HB3 GLU A 115 8.719 -13.990 -1.665 1.00 32.40 H new ATOM 0 HG2 GLU A 115 9.777 -12.999 -3.648 1.00 13.34 H new ATOM 0 HG3 GLU A 115 11.358 -13.080 -2.896 1.00 13.34 H new ATOM 1833 N ASN A 116 11.672 -10.809 -1.195 1.00 21.21 N ATOM 1834 CA ASN A 116 12.998 -10.228 -0.874 1.00 43.12 C ATOM 1835 C ASN A 116 12.828 -8.993 0.029 1.00 35.34 C ATOM 1836 O ASN A 116 13.812 -8.473 0.554 1.00 4.12 O ATOM 1837 CB ASN A 116 13.762 -9.854 -2.175 1.00 71.23 C ATOM 1838 CG ASN A 116 14.208 -11.071 -2.986 1.00 23.11 C ATOM 1839 OD1 ASN A 116 15.340 -11.549 -2.853 1.00 14.24 O ATOM 1840 ND2 ASN A 116 13.320 -11.610 -3.801 1.00 13.50 N ATOM 0 H ASN A 116 11.245 -10.413 -2.033 1.00 21.21 H new ATOM 0 HA ASN A 116 13.586 -10.974 -0.339 1.00 43.12 H new ATOM 0 HB2 ASN A 116 13.122 -9.227 -2.796 1.00 71.23 H new ATOM 0 HB3 ASN A 116 14.637 -9.258 -1.916 1.00 71.23 H new ATOM 0 HD21 ASN A 116 13.561 -12.442 -4.340 1.00 13.50 H new ATOM 0 HD22 ASN A 116 12.393 -11.195 -3.892 1.00 13.50 H new ATOM 1847 N ILE A 117 11.567 -8.537 0.195 1.00 42.10 N ATOM 1848 CA ILE A 117 11.205 -7.498 1.171 1.00 2.53 C ATOM 1849 C ILE A 117 10.993 -8.196 2.524 1.00 43.21 C ATOM 1850 O ILE A 117 10.154 -9.103 2.629 1.00 21.12 O ATOM 1851 CB ILE A 117 9.887 -6.715 0.780 1.00 24.04 C ATOM 1852 CG1 ILE A 117 10.014 -6.044 -0.619 1.00 72.42 C ATOM 1853 CG2 ILE A 117 9.521 -5.669 1.865 1.00 3.32 C ATOM 1854 CD1 ILE A 117 8.784 -5.266 -1.074 1.00 73.10 C ATOM 0 H ILE A 117 10.775 -8.882 -0.347 1.00 42.10 H new ATOM 0 HA ILE A 117 12.007 -6.761 1.205 1.00 2.53 H new ATOM 0 HB ILE A 117 9.078 -7.443 0.723 1.00 24.04 H new ATOM 0 HG12 ILE A 117 10.869 -5.368 -0.605 1.00 72.42 H new ATOM 0 HG13 ILE A 117 10.231 -6.816 -1.357 1.00 72.42 H new ATOM 0 HG21 ILE A 117 8.611 -5.144 1.572 1.00 3.32 H new ATOM 0 HG22 ILE A 117 9.358 -6.174 2.817 1.00 3.32 H new ATOM 0 HG23 ILE A 117 10.336 -4.952 1.969 1.00 3.32 H new ATOM 0 HD11 ILE A 117 8.969 -4.836 -2.058 1.00 73.10 H new ATOM 0 HD12 ILE A 117 7.927 -5.938 -1.127 1.00 73.10 H new ATOM 0 HD13 ILE A 117 8.575 -4.467 -0.363 1.00 73.10 H new ATOM 1866 N LYS A 118 11.756 -7.786 3.544 1.00 63.54 N ATOM 1867 CA LYS A 118 11.691 -8.380 4.890 1.00 42.23 C ATOM 1868 C LYS A 118 11.093 -7.370 5.876 1.00 35.33 C ATOM 1869 O LYS A 118 11.206 -6.151 5.693 1.00 31.35 O ATOM 1870 CB LYS A 118 13.109 -8.827 5.363 1.00 63.12 C ATOM 1871 CG LYS A 118 13.825 -9.906 4.506 1.00 4.03 C ATOM 1872 CD LYS A 118 13.300 -11.353 4.724 1.00 12.22 C ATOM 1873 CE LYS A 118 11.983 -11.669 3.995 1.00 33.04 C ATOM 1874 NZ LYS A 118 11.552 -13.071 4.217 1.00 64.11 N ATOM 0 H LYS A 118 12.438 -7.032 3.462 1.00 63.54 H new ATOM 0 HA LYS A 118 11.051 -9.262 4.853 1.00 42.23 H new ATOM 0 HB2 LYS A 118 13.748 -7.945 5.402 1.00 63.12 H new ATOM 0 HB3 LYS A 118 13.024 -9.204 6.382 1.00 63.12 H new ATOM 0 HG2 LYS A 118 13.715 -9.648 3.453 1.00 4.03 H new ATOM 0 HG3 LYS A 118 14.891 -9.882 4.730 1.00 4.03 H new ATOM 0 HD2 LYS A 118 14.063 -12.057 4.391 1.00 12.22 H new ATOM 0 HD3 LYS A 118 13.158 -11.518 5.792 1.00 12.22 H new ATOM 0 HE2 LYS A 118 11.204 -10.990 4.342 1.00 33.04 H new ATOM 0 HE3 LYS A 118 12.108 -11.492 2.927 1.00 33.04 H new ATOM 0 HZ1 LYS A 118 10.661 -13.245 3.710 1.00 64.11 H new ATOM 0 HZ2 LYS A 118 12.284 -13.719 3.863 1.00 64.11 H new ATOM 0 HZ3 LYS A 118 11.408 -13.233 5.234 1.00 64.11 H new ATOM 1888 N ARG A 119 10.448 -7.908 6.916 1.00 4.11 N ATOM 1889 CA ARG A 119 9.974 -7.130 8.076 1.00 14.02 C ATOM 1890 C ARG A 119 10.845 -7.445 9.295 1.00 50.24 C ATOM 1891 O ARG A 119 11.795 -8.226 9.201 1.00 43.40 O ATOM 1892 CB ARG A 119 8.482 -7.432 8.390 1.00 55.35 C ATOM 1893 CG ARG A 119 8.151 -8.926 8.609 1.00 23.33 C ATOM 1894 CD ARG A 119 6.769 -9.143 9.247 1.00 62.31 C ATOM 1895 NE ARG A 119 6.389 -10.562 9.277 1.00 75.25 N ATOM 1896 CZ ARG A 119 6.840 -11.481 10.145 1.00 42.12 C ATOM 1897 NH1 ARG A 119 7.713 -11.167 11.104 1.00 42.55 N ATOM 1898 NH2 ARG A 119 6.409 -12.728 10.041 1.00 62.14 N ATOM 0 H ARG A 119 10.236 -8.904 6.981 1.00 4.11 H new ATOM 0 HA ARG A 119 10.054 -6.070 7.834 1.00 14.02 H new ATOM 0 HB2 ARG A 119 8.194 -6.877 9.283 1.00 55.35 H new ATOM 0 HB3 ARG A 119 7.870 -7.056 7.570 1.00 55.35 H new ATOM 0 HG2 ARG A 119 8.190 -9.446 7.652 1.00 23.33 H new ATOM 0 HG3 ARG A 119 8.914 -9.373 9.246 1.00 23.33 H new ATOM 0 HD2 ARG A 119 6.774 -8.748 10.263 1.00 62.31 H new ATOM 0 HD3 ARG A 119 6.021 -8.580 8.689 1.00 62.31 H new ATOM 0 HE ARG A 119 5.721 -10.878 8.574 1.00 75.25 H new ATOM 0 HH11 ARG A 119 8.053 -10.209 11.190 1.00 42.55 H new ATOM 0 HH12 ARG A 119 8.040 -11.885 11.751 1.00 42.55 H new ATOM 0 HH21 ARG A 119 5.744 -12.978 9.309 1.00 62.14 H new ATOM 0 HH22 ARG A 119 6.742 -13.439 10.693 1.00 62.14 H new