USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 494 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 395 ASN : amide:sc= -0.0126 K(o=-0.042,f=-0.76) USER MOD Set 1.2: A 399 HIS : no HD1:sc= -0.0297 K(o=-0.042,f=-0.82) USER MOD Set 2.1: A 359 SER OG : rot -76:sc= 1.29 USER MOD Set 2.2: A 365 MET CE :methyl 162:sc= 0 (180deg=-0.0605) USER MOD Set 3.1: A 349 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 396 SER OG : rot 180:sc= 0 USER MOD Single : A 342 ASN : amide:sc= -0.0186 X(o=-0.019,f=0.02) USER MOD Single : A 348 SER OG : rot 180:sc= 0 USER MOD Single : A 350 SER OG : rot 180:sc= 0 USER MOD Single : A 355 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 358 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 360 THR OG1 : rot -52:sc= 0.446 USER MOD Single : A 368 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 371 TYR OH : rot 180:sc= -0.015 USER MOD Single : A 372 ASN : amide:sc= -0.0791 X(o=-0.079,f=-0.21) USER MOD Single : A 376 SER OG : rot 78:sc= 1 USER MOD Single : A 377 ASN :FLIP amide:sc= 0 F(o=-0.68,f=0) USER MOD Single : A 380 TYR OH : rot 180:sc= 0 USER MOD Single : A 383 ASN : amide:sc= -0.0342 X(o=-0.034,f=-0.0058) USER MOD Single : A 385 THR OG1 : rot -102:sc= 0.218 USER MOD Single : A 386 SER OG : rot 180:sc= 0 USER MOD Single : A 387 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 389 GLN :FLIP amide:sc= -0.0767 F(o=-1.9!,f=-0.077) USER MOD Single : A 390 SER OG : rot 47:sc= -2.01! USER MOD Single : A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 400 ASN : amide:sc= 0.568 K(o=0.57,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 342 -2.340 -15.236 10.492 1.00 23.41 N ATOM 2 CA ASN A 342 -1.605 -14.082 9.952 1.00 52.03 C ATOM 3 C ASN A 342 -1.691 -12.928 10.923 1.00 5.23 C ATOM 4 O ASN A 342 -2.654 -12.845 11.676 1.00 63.40 O ATOM 5 CB ASN A 342 -2.165 -13.671 8.581 1.00 4.43 C ATOM 6 CG ASN A 342 -1.904 -14.699 7.501 1.00 32.12 C ATOM 7 OD1 ASN A 342 -0.880 -14.646 6.831 1.00 63.42 O ATOM 8 ND2 ASN A 342 -2.820 -15.624 7.315 1.00 64.20 N ATOM 0 HA ASN A 342 -0.560 -14.362 9.818 1.00 52.03 H new ATOM 0 HB2 ASN A 342 -3.239 -13.509 8.668 1.00 4.43 H new ATOM 0 HB3 ASN A 342 -1.722 -12.720 8.284 1.00 4.43 H new ATOM 0 HD21 ASN A 342 -2.691 -16.331 6.592 1.00 64.20 H new ATOM 0 HD22 ASN A 342 -3.660 -15.634 7.894 1.00 64.20 H new ATOM 17 N PRO A 343 -0.698 -11.991 10.920 1.00 33.13 N ATOM 18 CA PRO A 343 -0.647 -10.869 11.892 1.00 2.10 C ATOM 19 C PRO A 343 -1.889 -9.958 11.842 1.00 75.12 C ATOM 20 O PRO A 343 -2.257 -9.335 12.829 1.00 61.34 O ATOM 21 CB PRO A 343 0.615 -10.081 11.470 1.00 20.43 C ATOM 22 CG PRO A 343 0.865 -10.491 10.060 1.00 31.33 C ATOM 23 CD PRO A 343 0.460 -11.938 9.990 1.00 34.51 C ATOM 0 HA PRO A 343 -0.621 -11.238 12.917 1.00 2.10 H new ATOM 0 HB2 PRO A 343 0.454 -9.006 11.547 1.00 20.43 H new ATOM 0 HB3 PRO A 343 1.464 -10.323 12.109 1.00 20.43 H new ATOM 0 HG2 PRO A 343 0.283 -9.886 9.365 1.00 31.33 H new ATOM 0 HG3 PRO A 343 1.914 -10.363 9.793 1.00 31.33 H new ATOM 0 HD2 PRO A 343 0.182 -12.234 8.978 1.00 34.51 H new ATOM 0 HD3 PRO A 343 1.265 -12.601 10.306 1.00 34.51 H new ATOM 31 N TRP A 344 -2.518 -9.904 10.700 1.00 21.12 N ATOM 32 CA TRP A 344 -3.687 -9.060 10.488 1.00 53.02 C ATOM 33 C TRP A 344 -5.006 -9.827 10.637 1.00 11.23 C ATOM 34 O TRP A 344 -6.054 -9.221 10.892 1.00 21.42 O ATOM 35 CB TRP A 344 -3.608 -8.449 9.095 1.00 34.11 C ATOM 36 CG TRP A 344 -3.334 -9.465 8.019 1.00 21.45 C ATOM 37 CD1 TRP A 344 -4.190 -10.402 7.532 1.00 2.44 C ATOM 38 CD2 TRP A 344 -2.116 -9.631 7.281 1.00 41.31 C ATOM 39 NE1 TRP A 344 -3.569 -11.141 6.587 1.00 54.22 N ATOM 40 CE2 TRP A 344 -2.310 -10.685 6.406 1.00 41.21 C ATOM 41 CE3 TRP A 344 -0.886 -8.997 7.281 1.00 74.53 C ATOM 42 CZ2 TRP A 344 -1.330 -11.114 5.547 1.00 61.43 C ATOM 43 CZ3 TRP A 344 0.079 -9.423 6.426 1.00 53.24 C ATOM 44 CH2 TRP A 344 -0.148 -10.467 5.573 1.00 12.25 C ATOM 0 H TRP A 344 -2.241 -10.443 9.879 1.00 21.12 H new ATOM 0 HA TRP A 344 -3.680 -8.286 11.255 1.00 53.02 H new ATOM 0 HB2 TRP A 344 -4.546 -7.939 8.875 1.00 34.11 H new ATOM 0 HB3 TRP A 344 -2.823 -7.693 9.081 1.00 34.11 H new ATOM 0 HD1 TRP A 344 -5.213 -10.536 7.852 1.00 2.44 H new ATOM 0 HE1 TRP A 344 -3.987 -11.925 6.086 1.00 54.22 H new ATOM 0 HE3 TRP A 344 -0.696 -8.173 7.953 1.00 74.53 H new ATOM 0 HZ2 TRP A 344 -1.500 -11.941 4.874 1.00 61.43 H new ATOM 0 HZ3 TRP A 344 1.040 -8.930 6.420 1.00 53.24 H new ATOM 0 HH2 TRP A 344 0.639 -10.781 4.904 1.00 12.25 H new ATOM 55 N GLY A 345 -4.955 -11.136 10.460 1.00 41.13 N ATOM 56 CA GLY A 345 -6.155 -11.931 10.481 1.00 75.43 C ATOM 57 C GLY A 345 -5.965 -13.289 9.824 1.00 34.14 C ATOM 58 O GLY A 345 -4.988 -13.992 10.111 1.00 44.23 O ATOM 0 H GLY A 345 -4.096 -11.662 10.301 1.00 41.13 H new ATOM 0 HA2 GLY A 345 -6.476 -12.072 11.513 1.00 75.43 H new ATOM 0 HA3 GLY A 345 -6.953 -11.392 9.970 1.00 75.43 H new ATOM 62 N ALA A 346 -6.864 -13.630 8.914 1.00 32.41 N ATOM 63 CA ALA A 346 -6.877 -14.944 8.289 1.00 63.41 C ATOM 64 C ALA A 346 -6.335 -14.953 6.861 1.00 33.33 C ATOM 65 O ALA A 346 -5.677 -15.919 6.465 1.00 54.44 O ATOM 66 CB ALA A 346 -8.273 -15.523 8.312 1.00 11.44 C ATOM 0 H ALA A 346 -7.603 -13.007 8.589 1.00 32.41 H new ATOM 0 HA ALA A 346 -6.202 -15.564 8.880 1.00 63.41 H new ATOM 0 HB1 ALA A 346 -8.267 -16.506 7.841 1.00 11.44 H new ATOM 0 HB2 ALA A 346 -8.611 -15.617 9.344 1.00 11.44 H new ATOM 0 HB3 ALA A 346 -8.949 -14.864 7.768 1.00 11.44 H new ATOM 72 N GLU A 347 -6.616 -13.894 6.081 1.00 54.44 N ATOM 73 CA GLU A 347 -6.142 -13.822 4.684 1.00 52.32 C ATOM 74 C GLU A 347 -4.629 -13.880 4.635 1.00 73.21 C ATOM 75 O GLU A 347 -3.977 -13.514 5.585 1.00 11.34 O ATOM 76 CB GLU A 347 -6.647 -12.559 3.990 1.00 34.21 C ATOM 77 CG GLU A 347 -8.156 -12.499 3.858 1.00 43.43 C ATOM 78 CD GLU A 347 -8.623 -11.251 3.157 1.00 75.51 C ATOM 79 OE1 GLU A 347 -8.719 -11.255 1.916 1.00 51.13 O ATOM 80 OE2 GLU A 347 -8.921 -10.252 3.846 1.00 51.31 O ATOM 0 H GLU A 347 -7.160 -13.087 6.386 1.00 54.44 H new ATOM 0 HA GLU A 347 -6.546 -14.682 4.150 1.00 52.32 H new ATOM 0 HB2 GLU A 347 -6.305 -11.687 4.547 1.00 34.21 H new ATOM 0 HB3 GLU A 347 -6.201 -12.498 2.997 1.00 34.21 H new ATOM 0 HG2 GLU A 347 -8.505 -13.373 3.308 1.00 43.43 H new ATOM 0 HG3 GLU A 347 -8.607 -12.546 4.849 1.00 43.43 H new ATOM 87 N SER A 348 -4.078 -14.310 3.545 1.00 3.14 N ATOM 88 CA SER A 348 -2.654 -14.480 3.466 1.00 75.11 C ATOM 89 C SER A 348 -1.984 -13.219 2.998 1.00 44.31 C ATOM 90 O SER A 348 -2.658 -12.275 2.555 1.00 11.12 O ATOM 91 CB SER A 348 -2.324 -15.632 2.540 1.00 21.14 C ATOM 92 OG SER A 348 -2.861 -16.847 3.037 1.00 71.23 O ATOM 0 H SER A 348 -4.588 -14.551 2.695 1.00 3.14 H new ATOM 0 HA SER A 348 -2.277 -14.706 4.464 1.00 75.11 H new ATOM 0 HB2 SER A 348 -2.724 -15.432 1.546 1.00 21.14 H new ATOM 0 HB3 SER A 348 -1.243 -15.723 2.436 1.00 21.14 H new ATOM 0 HG SER A 348 -2.638 -17.578 2.424 1.00 71.23 H new ATOM 98 N TYR A 349 -0.657 -13.194 3.106 1.00 50.44 N ATOM 99 CA TYR A 349 0.139 -12.069 2.657 1.00 61.22 C ATOM 100 C TYR A 349 -0.175 -11.750 1.238 1.00 21.31 C ATOM 101 O TYR A 349 -0.699 -10.701 0.959 1.00 73.44 O ATOM 102 CB TYR A 349 1.653 -12.331 2.822 1.00 10.21 C ATOM 103 CG TYR A 349 2.148 -12.365 4.250 1.00 24.05 C ATOM 104 CD1 TYR A 349 1.903 -13.451 5.080 1.00 33.10 C ATOM 105 CD2 TYR A 349 2.845 -11.287 4.772 1.00 74.11 C ATOM 106 CE1 TYR A 349 2.343 -13.455 6.389 1.00 53.21 C ATOM 107 CE2 TYR A 349 3.281 -11.283 6.075 1.00 60.30 C ATOM 108 CZ TYR A 349 3.030 -12.368 6.879 1.00 42.15 C ATOM 109 OH TYR A 349 3.466 -12.363 8.182 1.00 74.12 O ATOM 0 H TYR A 349 -0.110 -13.955 3.508 1.00 50.44 H new ATOM 0 HA TYR A 349 -0.117 -11.215 3.284 1.00 61.22 H new ATOM 0 HB2 TYR A 349 1.895 -13.282 2.348 1.00 10.21 H new ATOM 0 HB3 TYR A 349 2.200 -11.558 2.283 1.00 10.21 H new ATOM 0 HD1 TYR A 349 1.361 -14.303 4.697 1.00 33.10 H new ATOM 0 HD2 TYR A 349 3.049 -10.434 4.143 1.00 74.11 H new ATOM 0 HE1 TYR A 349 2.149 -14.306 7.025 1.00 53.21 H new ATOM 0 HE2 TYR A 349 3.818 -10.431 6.465 1.00 60.30 H new ATOM 0 HH TYR A 349 3.934 -11.522 8.367 1.00 74.12 H new ATOM 119 N SER A 350 0.097 -12.685 0.357 1.00 71.10 N ATOM 120 CA SER A 350 -0.133 -12.499 -1.063 1.00 3.34 C ATOM 121 C SER A 350 -1.590 -12.101 -1.383 1.00 60.02 C ATOM 122 O SER A 350 -1.832 -11.377 -2.349 1.00 2.31 O ATOM 123 CB SER A 350 0.279 -13.736 -1.822 1.00 22.04 C ATOM 124 OG SER A 350 1.645 -14.071 -1.543 1.00 3.22 O ATOM 0 H SER A 350 0.484 -13.597 0.601 1.00 71.10 H new ATOM 0 HA SER A 350 0.487 -11.663 -1.388 1.00 3.34 H new ATOM 0 HB2 SER A 350 -0.368 -14.569 -1.548 1.00 22.04 H new ATOM 0 HB3 SER A 350 0.151 -13.572 -2.892 1.00 22.04 H new ATOM 0 HG SER A 350 1.893 -14.877 -2.043 1.00 3.22 H new ATOM 130 N ASP A 351 -2.540 -12.563 -0.561 1.00 71.14 N ATOM 131 CA ASP A 351 -3.948 -12.172 -0.728 1.00 13.32 C ATOM 132 C ASP A 351 -4.117 -10.683 -0.489 1.00 65.12 C ATOM 133 O ASP A 351 -4.679 -9.973 -1.314 1.00 15.32 O ATOM 134 CB ASP A 351 -4.882 -12.959 0.210 1.00 53.12 C ATOM 135 CG ASP A 351 -5.002 -14.419 -0.144 1.00 30.24 C ATOM 136 OD1 ASP A 351 -4.102 -15.197 0.194 1.00 72.31 O ATOM 137 OD2 ASP A 351 -6.020 -14.817 -0.746 1.00 1.24 O ATOM 0 H ASP A 351 -2.365 -13.199 0.217 1.00 71.14 H new ATOM 0 HA ASP A 351 -4.227 -12.410 -1.754 1.00 13.32 H new ATOM 0 HB2 ASP A 351 -4.515 -12.871 1.233 1.00 53.12 H new ATOM 0 HB3 ASP A 351 -5.873 -12.505 0.187 1.00 53.12 H new ATOM 142 N LEU A 352 -3.625 -10.207 0.636 1.00 52.33 N ATOM 143 CA LEU A 352 -3.705 -8.794 0.946 1.00 1.11 C ATOM 144 C LEU A 352 -2.750 -7.937 0.122 1.00 32.52 C ATOM 145 O LEU A 352 -3.067 -6.791 -0.193 1.00 54.34 O ATOM 146 CB LEU A 352 -3.509 -8.530 2.400 1.00 13.25 C ATOM 147 CG LEU A 352 -4.584 -9.006 3.350 1.00 21.32 C ATOM 148 CD1 LEU A 352 -4.256 -8.520 4.713 1.00 70.40 C ATOM 149 CD2 LEU A 352 -5.943 -8.501 2.924 1.00 72.24 C ATOM 0 H LEU A 352 -3.167 -10.775 1.349 1.00 52.33 H new ATOM 0 HA LEU A 352 -4.718 -8.500 0.671 1.00 1.11 H new ATOM 0 HB2 LEU A 352 -2.568 -8.990 2.701 1.00 13.25 H new ATOM 0 HB3 LEU A 352 -3.395 -7.454 2.534 1.00 13.25 H new ATOM 0 HG LEU A 352 -4.621 -10.095 3.341 1.00 21.32 H new ATOM 0 HD11 LEU A 352 -5.022 -8.854 5.413 1.00 70.40 H new ATOM 0 HD12 LEU A 352 -3.288 -8.917 5.018 1.00 70.40 H new ATOM 0 HD13 LEU A 352 -4.217 -7.431 4.711 1.00 70.40 H new ATOM 0 HD21 LEU A 352 -6.699 -8.857 3.624 1.00 72.24 H new ATOM 0 HD22 LEU A 352 -5.940 -7.411 2.917 1.00 72.24 H new ATOM 0 HD23 LEU A 352 -6.171 -8.870 1.924 1.00 72.24 H new ATOM 161 N ILE A 353 -1.588 -8.474 -0.207 1.00 65.12 N ATOM 162 CA ILE A 353 -0.627 -7.769 -1.054 1.00 32.43 C ATOM 163 C ILE A 353 -1.278 -7.468 -2.393 1.00 62.14 C ATOM 164 O ILE A 353 -1.087 -6.393 -2.968 1.00 44.11 O ATOM 165 CB ILE A 353 0.663 -8.601 -1.272 1.00 12.34 C ATOM 166 CG1 ILE A 353 1.387 -8.821 0.057 1.00 24.23 C ATOM 167 CG2 ILE A 353 1.577 -7.906 -2.251 1.00 40.03 C ATOM 168 CD1 ILE A 353 2.554 -9.779 -0.030 1.00 31.14 C ATOM 0 H ILE A 353 -1.282 -9.398 0.098 1.00 65.12 H new ATOM 0 HA ILE A 353 -0.341 -6.843 -0.555 1.00 32.43 H new ATOM 0 HB ILE A 353 0.382 -9.571 -1.682 1.00 12.34 H new ATOM 0 HG12 ILE A 353 1.745 -7.860 0.427 1.00 24.23 H new ATOM 0 HG13 ILE A 353 0.674 -9.199 0.789 1.00 24.23 H new ATOM 0 HG21 ILE A 353 2.478 -8.502 -2.394 1.00 40.03 H new ATOM 0 HG22 ILE A 353 1.065 -7.788 -3.206 1.00 40.03 H new ATOM 0 HG23 ILE A 353 1.849 -6.925 -1.861 1.00 40.03 H new ATOM 0 HD11 ILE A 353 3.014 -9.882 0.953 1.00 31.14 H new ATOM 0 HD12 ILE A 353 2.201 -10.753 -0.369 1.00 31.14 H new ATOM 0 HD13 ILE A 353 3.289 -9.394 -0.737 1.00 31.14 H new ATOM 180 N ALA A 354 -2.069 -8.422 -2.867 1.00 53.12 N ATOM 181 CA ALA A 354 -2.852 -8.241 -4.077 1.00 4.04 C ATOM 182 C ALA A 354 -3.750 -7.020 -3.954 1.00 73.20 C ATOM 183 O ALA A 354 -3.894 -6.274 -4.899 1.00 43.21 O ATOM 184 CB ALA A 354 -3.689 -9.466 -4.366 1.00 3.32 C ATOM 0 H ALA A 354 -2.184 -9.335 -2.426 1.00 53.12 H new ATOM 0 HA ALA A 354 -2.159 -8.090 -4.905 1.00 4.04 H new ATOM 0 HB1 ALA A 354 -4.266 -9.306 -5.277 1.00 3.32 H new ATOM 0 HB2 ALA A 354 -3.037 -10.330 -4.497 1.00 3.32 H new ATOM 0 HB3 ALA A 354 -4.368 -9.647 -3.533 1.00 3.32 H new ATOM 190 N LYS A 355 -4.325 -6.807 -2.764 1.00 33.44 N ATOM 191 CA LYS A 355 -5.207 -5.662 -2.533 1.00 24.30 C ATOM 192 C LYS A 355 -4.421 -4.367 -2.580 1.00 10.43 C ATOM 193 O LYS A 355 -4.917 -3.349 -3.063 1.00 20.43 O ATOM 194 CB LYS A 355 -5.927 -5.737 -1.200 1.00 54.42 C ATOM 195 CG LYS A 355 -6.759 -6.970 -0.963 1.00 1.41 C ATOM 196 CD LYS A 355 -7.521 -6.855 0.348 1.00 21.24 C ATOM 197 CE LYS A 355 -8.591 -5.782 0.280 1.00 74.53 C ATOM 198 NZ LYS A 355 -9.374 -5.692 1.523 1.00 71.45 N ATOM 0 H LYS A 355 -4.195 -7.410 -1.952 1.00 33.44 H new ATOM 0 HA LYS A 355 -5.952 -5.688 -3.328 1.00 24.30 H new ATOM 0 HB2 LYS A 355 -5.185 -5.666 -0.405 1.00 54.42 H new ATOM 0 HB3 LYS A 355 -6.574 -4.864 -1.110 1.00 54.42 H new ATOM 0 HG2 LYS A 355 -7.460 -7.107 -1.787 1.00 1.41 H new ATOM 0 HG3 LYS A 355 -6.117 -7.850 -0.941 1.00 1.41 H new ATOM 0 HD2 LYS A 355 -7.981 -7.814 0.587 1.00 21.24 H new ATOM 0 HD3 LYS A 355 -6.825 -6.625 1.155 1.00 21.24 H new ATOM 0 HE2 LYS A 355 -8.123 -4.818 0.078 1.00 74.53 H new ATOM 0 HE3 LYS A 355 -9.261 -5.993 -0.554 1.00 74.53 H new ATOM 0 HZ1 LYS A 355 -10.092 -4.946 1.428 1.00 71.45 H new ATOM 0 HZ2 LYS A 355 -9.843 -6.602 1.704 1.00 71.45 H new ATOM 0 HZ3 LYS A 355 -8.741 -5.465 2.316 1.00 71.45 H new ATOM 212 N ALA A 356 -3.198 -4.398 -2.064 1.00 51.13 N ATOM 213 CA ALA A 356 -2.330 -3.233 -2.127 1.00 13.12 C ATOM 214 C ALA A 356 -2.040 -2.921 -3.577 1.00 11.35 C ATOM 215 O ALA A 356 -2.058 -1.766 -3.992 1.00 14.15 O ATOM 216 CB ALA A 356 -1.045 -3.443 -1.333 1.00 13.21 C ATOM 0 H ALA A 356 -2.789 -5.210 -1.602 1.00 51.13 H new ATOM 0 HA ALA A 356 -2.837 -2.384 -1.669 1.00 13.12 H new ATOM 0 HB1 ALA A 356 -0.423 -2.551 -1.405 1.00 13.21 H new ATOM 0 HB2 ALA A 356 -1.290 -3.632 -0.288 1.00 13.21 H new ATOM 0 HB3 ALA A 356 -0.502 -4.297 -1.738 1.00 13.21 H new ATOM 222 N LEU A 357 -1.814 -3.963 -4.352 1.00 52.14 N ATOM 223 CA LEU A 357 -1.645 -3.834 -5.782 1.00 43.44 C ATOM 224 C LEU A 357 -2.903 -3.309 -6.443 1.00 51.40 C ATOM 225 O LEU A 357 -2.821 -2.476 -7.308 1.00 32.34 O ATOM 226 CB LEU A 357 -1.181 -5.156 -6.418 1.00 51.43 C ATOM 227 CG LEU A 357 0.336 -5.374 -6.539 1.00 40.31 C ATOM 228 CD1 LEU A 357 0.898 -4.471 -7.617 1.00 21.43 C ATOM 229 CD2 LEU A 357 1.047 -5.129 -5.215 1.00 11.14 C ATOM 0 H LEU A 357 -1.743 -4.920 -4.007 1.00 52.14 H new ATOM 0 HA LEU A 357 -0.857 -3.100 -5.952 1.00 43.44 H new ATOM 0 HB2 LEU A 357 -1.596 -5.978 -5.834 1.00 51.43 H new ATOM 0 HB3 LEU A 357 -1.614 -5.223 -7.416 1.00 51.43 H new ATOM 0 HG LEU A 357 0.508 -6.415 -6.813 1.00 40.31 H new ATOM 0 HD11 LEU A 357 1.973 -4.629 -7.700 1.00 21.43 H new ATOM 0 HD12 LEU A 357 0.423 -4.703 -8.570 1.00 21.43 H new ATOM 0 HD13 LEU A 357 0.703 -3.430 -7.358 1.00 21.43 H new ATOM 0 HD21 LEU A 357 2.117 -5.293 -5.341 1.00 11.14 H new ATOM 0 HD22 LEU A 357 0.873 -4.102 -4.893 1.00 11.14 H new ATOM 0 HD23 LEU A 357 0.661 -5.816 -4.462 1.00 11.14 H new ATOM 241 N LYS A 358 -4.071 -3.756 -5.970 1.00 23.32 N ATOM 242 CA LYS A 358 -5.362 -3.352 -6.517 1.00 54.30 C ATOM 243 C LYS A 358 -5.574 -1.823 -6.520 1.00 51.24 C ATOM 244 O LYS A 358 -6.394 -1.308 -7.280 1.00 33.33 O ATOM 245 CB LYS A 358 -6.494 -3.979 -5.733 1.00 14.03 C ATOM 246 CG LYS A 358 -6.607 -5.464 -5.850 1.00 2.53 C ATOM 247 CD LYS A 358 -6.918 -5.939 -7.250 1.00 73.35 C ATOM 248 CE LYS A 358 -7.057 -7.447 -7.250 1.00 64.33 C ATOM 249 NZ LYS A 358 -7.430 -7.983 -8.575 1.00 65.11 N ATOM 0 H LYS A 358 -4.143 -4.412 -5.192 1.00 23.32 H new ATOM 0 HA LYS A 358 -5.361 -3.699 -7.550 1.00 54.30 H new ATOM 0 HB2 LYS A 358 -6.371 -3.722 -4.681 1.00 14.03 H new ATOM 0 HB3 LYS A 358 -7.432 -3.533 -6.062 1.00 14.03 H new ATOM 0 HG2 LYS A 358 -5.672 -5.918 -5.521 1.00 2.53 H new ATOM 0 HG3 LYS A 358 -7.387 -5.815 -5.175 1.00 2.53 H new ATOM 0 HD2 LYS A 358 -7.839 -5.478 -7.606 1.00 73.35 H new ATOM 0 HD3 LYS A 358 -6.125 -5.636 -7.933 1.00 73.35 H new ATOM 0 HE2 LYS A 358 -6.115 -7.895 -6.933 1.00 64.33 H new ATOM 0 HE3 LYS A 358 -7.811 -7.739 -6.519 1.00 64.33 H new ATOM 0 HZ1 LYS A 358 -7.512 -9.018 -8.520 1.00 65.11 H new ATOM 0 HZ2 LYS A 358 -8.342 -7.579 -8.869 1.00 65.11 H new ATOM 0 HZ3 LYS A 358 -6.699 -7.730 -9.270 1.00 65.11 H new ATOM 263 N SER A 359 -4.835 -1.100 -5.668 1.00 12.44 N ATOM 264 CA SER A 359 -4.988 0.355 -5.563 1.00 33.32 C ATOM 265 C SER A 359 -4.320 1.118 -6.763 1.00 54.11 C ATOM 266 O SER A 359 -4.479 2.339 -6.910 1.00 65.25 O ATOM 267 CB SER A 359 -4.470 0.853 -4.180 1.00 12.14 C ATOM 268 OG SER A 359 -3.066 0.655 -4.024 1.00 5.34 O ATOM 0 H SER A 359 -4.130 -1.496 -5.046 1.00 12.44 H new ATOM 0 HA SER A 359 -6.051 0.585 -5.627 1.00 33.32 H new ATOM 0 HB2 SER A 359 -4.700 1.913 -4.069 1.00 12.14 H new ATOM 0 HB3 SER A 359 -4.999 0.327 -3.385 1.00 12.14 H new ATOM 0 HG SER A 359 -2.887 -0.291 -3.842 1.00 5.34 H new ATOM 274 N THR A 360 -3.595 0.381 -7.616 1.00 42.20 N ATOM 275 CA THR A 360 -2.913 0.942 -8.797 1.00 65.53 C ATOM 276 C THR A 360 -2.465 -0.249 -9.673 1.00 43.20 C ATOM 277 O THR A 360 -1.438 -0.210 -10.353 1.00 52.31 O ATOM 278 CB THR A 360 -1.665 1.777 -8.348 1.00 2.31 C ATOM 279 OG1 THR A 360 -1.022 2.401 -9.484 1.00 23.42 O ATOM 280 CG2 THR A 360 -0.662 0.892 -7.626 1.00 4.44 C ATOM 0 H THR A 360 -3.463 -0.625 -7.508 1.00 42.20 H new ATOM 0 HA THR A 360 -3.579 1.602 -9.352 1.00 65.53 H new ATOM 0 HB THR A 360 -2.015 2.555 -7.669 1.00 2.31 H new ATOM 0 HG1 THR A 360 -0.835 1.724 -10.167 1.00 23.42 H new ATOM 0 HG21 THR A 360 0.198 1.489 -7.322 1.00 4.44 H new ATOM 0 HG22 THR A 360 -1.131 0.455 -6.744 1.00 4.44 H new ATOM 0 HG23 THR A 360 -0.333 0.096 -8.294 1.00 4.44 H new ATOM 288 N PHE A 361 -3.331 -1.241 -9.720 1.00 62.40 N ATOM 289 CA PHE A 361 -3.059 -2.574 -10.281 1.00 22.22 C ATOM 290 C PHE A 361 -2.640 -2.529 -11.741 1.00 75.11 C ATOM 291 O PHE A 361 -1.962 -3.433 -12.236 1.00 63.33 O ATOM 292 CB PHE A 361 -4.320 -3.411 -10.138 1.00 1.42 C ATOM 293 CG PHE A 361 -4.099 -4.883 -10.232 1.00 44.22 C ATOM 294 CD1 PHE A 361 -3.651 -5.569 -9.127 1.00 0.55 C ATOM 295 CD2 PHE A 361 -4.345 -5.583 -11.400 1.00 74.54 C ATOM 296 CE1 PHE A 361 -3.450 -6.912 -9.163 1.00 15.20 C ATOM 297 CE2 PHE A 361 -4.147 -6.950 -11.452 1.00 11.10 C ATOM 298 CZ PHE A 361 -3.697 -7.619 -10.324 1.00 1.23 C ATOM 0 H PHE A 361 -4.281 -1.151 -9.359 1.00 62.40 H new ATOM 0 HA PHE A 361 -2.224 -3.009 -9.732 1.00 22.22 H new ATOM 0 HB2 PHE A 361 -4.783 -3.186 -9.177 1.00 1.42 H new ATOM 0 HB3 PHE A 361 -5.029 -3.113 -10.911 1.00 1.42 H new ATOM 0 HD1 PHE A 361 -3.455 -5.029 -8.212 1.00 0.55 H new ATOM 0 HD2 PHE A 361 -4.694 -5.058 -12.277 1.00 74.54 H new ATOM 0 HE1 PHE A 361 -3.097 -7.428 -8.283 1.00 15.20 H new ATOM 0 HE2 PHE A 361 -4.341 -7.493 -12.365 1.00 11.10 H new ATOM 0 HZ PHE A 361 -3.540 -8.687 -10.353 1.00 1.23 H new ATOM 308 N ASP A 362 -3.009 -1.471 -12.404 1.00 22.43 N ATOM 309 CA ASP A 362 -2.741 -1.332 -13.828 1.00 34.31 C ATOM 310 C ASP A 362 -1.318 -0.872 -14.070 1.00 51.43 C ATOM 311 O ASP A 362 -0.834 -0.894 -15.195 1.00 24.34 O ATOM 312 CB ASP A 362 -3.739 -0.371 -14.500 1.00 51.35 C ATOM 313 CG ASP A 362 -5.175 -0.857 -14.436 1.00 1.11 C ATOM 314 OD1 ASP A 362 -5.873 -0.562 -13.443 1.00 21.44 O ATOM 315 OD2 ASP A 362 -5.642 -1.536 -15.386 1.00 44.24 O ATOM 0 H ASP A 362 -3.501 -0.680 -11.988 1.00 22.43 H new ATOM 0 HA ASP A 362 -2.868 -2.316 -14.280 1.00 34.31 H new ATOM 0 HB2 ASP A 362 -3.671 0.606 -14.021 1.00 51.35 H new ATOM 0 HB3 ASP A 362 -3.455 -0.234 -15.543 1.00 51.35 H new ATOM 320 N GLY A 363 -0.648 -0.463 -13.015 1.00 61.35 N ATOM 321 CA GLY A 363 0.696 -0.023 -13.130 1.00 52.23 C ATOM 322 C GLY A 363 1.610 -0.847 -12.276 1.00 53.33 C ATOM 323 O GLY A 363 1.869 -2.018 -12.575 1.00 43.43 O ATOM 0 H GLY A 363 -1.028 -0.432 -12.069 1.00 61.35 H new ATOM 0 HA2 GLY A 363 1.014 -0.084 -14.171 1.00 52.23 H new ATOM 0 HA3 GLY A 363 0.765 1.024 -12.836 1.00 52.23 H new ATOM 327 N ARG A 364 2.082 -0.257 -11.208 1.00 72.24 N ATOM 328 CA ARG A 364 3.010 -0.880 -10.310 1.00 14.32 C ATOM 329 C ARG A 364 2.789 -0.345 -8.910 1.00 70.34 C ATOM 330 O ARG A 364 2.326 0.784 -8.745 1.00 11.33 O ATOM 331 CB ARG A 364 4.412 -0.540 -10.785 1.00 51.33 C ATOM 332 CG ARG A 364 4.612 0.956 -10.979 1.00 3.34 C ATOM 333 CD ARG A 364 5.972 1.255 -11.503 1.00 62.22 C ATOM 334 NE ARG A 364 6.184 2.697 -11.703 1.00 2.01 N ATOM 335 CZ ARG A 364 7.228 3.237 -12.363 1.00 40.15 C ATOM 336 NH1 ARG A 364 8.154 2.452 -12.912 1.00 31.24 N ATOM 337 NH2 ARG A 364 7.334 4.559 -12.477 1.00 64.53 N ATOM 0 H ARG A 364 1.824 0.691 -10.936 1.00 72.24 H new ATOM 0 HA ARG A 364 2.871 -1.961 -10.294 1.00 14.32 H new ATOM 0 HB2 ARG A 364 5.138 -0.910 -10.061 1.00 51.33 H new ATOM 0 HB3 ARG A 364 4.609 -1.055 -11.725 1.00 51.33 H new ATOM 0 HG2 ARG A 364 3.861 1.339 -11.670 1.00 3.34 H new ATOM 0 HG3 ARG A 364 4.464 1.471 -10.030 1.00 3.34 H new ATOM 0 HD2 ARG A 364 6.720 0.872 -10.808 1.00 62.22 H new ATOM 0 HD3 ARG A 364 6.118 0.733 -12.449 1.00 62.22 H new ATOM 0 HE ARG A 364 5.490 3.335 -11.314 1.00 2.01 H new ATOM 0 HH11 ARG A 364 8.075 1.438 -12.834 1.00 31.24 H new ATOM 0 HH12 ARG A 364 8.942 2.865 -13.411 1.00 31.24 H new ATOM 0 HH21 ARG A 364 6.625 5.165 -12.065 1.00 64.53 H new ATOM 0 HH22 ARG A 364 8.125 4.966 -12.977 1.00 64.53 H new ATOM 351 N MET A 365 3.116 -1.122 -7.911 1.00 14.02 N ATOM 352 CA MET A 365 2.937 -0.655 -6.558 1.00 2.43 C ATOM 353 C MET A 365 4.289 -0.446 -5.969 1.00 54.24 C ATOM 354 O MET A 365 5.221 -1.200 -6.262 1.00 23.34 O ATOM 355 CB MET A 365 2.188 -1.667 -5.702 1.00 43.14 C ATOM 356 CG MET A 365 1.101 -1.065 -4.818 1.00 50.44 C ATOM 357 SD MET A 365 1.694 0.221 -3.705 1.00 22.23 S ATOM 358 CE MET A 365 0.181 0.624 -2.841 1.00 4.41 C ATOM 0 H MET A 365 3.500 -2.062 -8.002 1.00 14.02 H new ATOM 0 HA MET A 365 2.352 0.264 -6.579 1.00 2.43 H new ATOM 0 HB2 MET A 365 1.736 -2.413 -6.356 1.00 43.14 H new ATOM 0 HB3 MET A 365 2.905 -2.190 -5.069 1.00 43.14 H new ATOM 0 HG2 MET A 365 0.319 -0.650 -5.453 1.00 50.44 H new ATOM 0 HG3 MET A 365 0.644 -1.860 -4.228 1.00 50.44 H new ATOM 0 HE1 MET A 365 0.419 1.155 -1.919 1.00 4.41 H new ATOM 0 HE2 MET A 365 -0.442 1.256 -3.474 1.00 4.41 H new ATOM 0 HE3 MET A 365 -0.357 -0.293 -2.603 1.00 4.41 H new ATOM 368 N ARG A 366 4.408 0.546 -5.147 1.00 73.11 N ATOM 369 CA ARG A 366 5.659 0.849 -4.537 1.00 41.35 C ATOM 370 C ARG A 366 5.771 -0.055 -3.353 1.00 35.42 C ATOM 371 O ARG A 366 4.824 -0.175 -2.583 1.00 44.02 O ATOM 372 CB ARG A 366 5.752 2.313 -4.049 1.00 23.14 C ATOM 373 CG ARG A 366 5.419 3.431 -5.066 1.00 25.21 C ATOM 374 CD ARG A 366 3.940 3.466 -5.456 1.00 42.21 C ATOM 375 NE ARG A 366 3.628 4.589 -6.331 1.00 23.05 N ATOM 376 CZ ARG A 366 2.453 4.796 -6.936 1.00 44.43 C ATOM 377 NH1 ARG A 366 1.472 3.896 -6.839 1.00 22.15 N ATOM 378 NH2 ARG A 366 2.265 5.903 -7.644 1.00 73.22 N ATOM 0 H ARG A 366 3.643 1.166 -4.881 1.00 73.11 H new ATOM 0 HA ARG A 366 6.457 0.710 -5.267 1.00 41.35 H new ATOM 0 HB2 ARG A 366 5.083 2.425 -3.196 1.00 23.14 H new ATOM 0 HB3 ARG A 366 6.765 2.482 -3.684 1.00 23.14 H new ATOM 0 HG2 ARG A 366 5.700 4.395 -4.642 1.00 25.21 H new ATOM 0 HG3 ARG A 366 6.022 3.289 -5.963 1.00 25.21 H new ATOM 0 HD2 ARG A 366 3.676 2.534 -5.956 1.00 42.21 H new ATOM 0 HD3 ARG A 366 3.330 3.529 -4.555 1.00 42.21 H new ATOM 0 HE ARG A 366 4.366 5.273 -6.496 1.00 23.05 H new ATOM 0 HH11 ARG A 366 1.615 3.042 -6.300 1.00 22.15 H new ATOM 0 HH12 ARG A 366 0.579 4.062 -7.304 1.00 22.15 H new ATOM 0 HH21 ARG A 366 3.014 6.590 -7.725 1.00 73.22 H new ATOM 0 HH22 ARG A 366 1.371 6.066 -8.108 1.00 73.22 H new ATOM 392 N LEU A 367 6.894 -0.663 -3.193 1.00 3.34 N ATOM 393 CA LEU A 367 7.104 -1.625 -2.133 1.00 50.52 C ATOM 394 C LEU A 367 6.904 -0.996 -0.749 1.00 3.40 C ATOM 395 O LEU A 367 6.283 -1.595 0.130 1.00 10.51 O ATOM 396 CB LEU A 367 8.465 -2.275 -2.310 1.00 22.04 C ATOM 397 CG LEU A 367 8.918 -3.304 -1.284 1.00 5.15 C ATOM 398 CD1 LEU A 367 7.863 -4.387 -1.069 1.00 42.20 C ATOM 399 CD2 LEU A 367 10.180 -3.936 -1.791 1.00 73.43 C ATOM 0 H LEU A 367 7.707 -0.516 -3.791 1.00 3.34 H new ATOM 0 HA LEU A 367 6.351 -2.410 -2.198 1.00 50.52 H new ATOM 0 HB2 LEU A 367 8.478 -2.755 -3.289 1.00 22.04 H new ATOM 0 HB3 LEU A 367 9.211 -1.481 -2.334 1.00 22.04 H new ATOM 0 HG LEU A 367 9.079 -2.805 -0.328 1.00 5.15 H new ATOM 0 HD11 LEU A 367 8.222 -5.103 -0.330 1.00 42.20 H new ATOM 0 HD12 LEU A 367 6.940 -3.930 -0.713 1.00 42.20 H new ATOM 0 HD13 LEU A 367 7.673 -4.902 -2.011 1.00 42.20 H new ATOM 0 HD21 LEU A 367 10.528 -4.679 -1.074 1.00 73.43 H new ATOM 0 HD22 LEU A 367 9.986 -4.419 -2.749 1.00 73.43 H new ATOM 0 HD23 LEU A 367 10.945 -3.170 -1.919 1.00 73.43 H new ATOM 411 N ASN A 368 7.367 0.234 -0.585 1.00 22.54 N ATOM 412 CA ASN A 368 7.173 0.952 0.681 1.00 51.02 C ATOM 413 C ASN A 368 5.708 1.318 0.876 1.00 5.32 C ATOM 414 O ASN A 368 5.215 1.381 2.007 1.00 33.13 O ATOM 415 CB ASN A 368 8.051 2.211 0.791 1.00 43.22 C ATOM 416 CG ASN A 368 9.540 1.920 0.728 1.00 1.52 C ATOM 417 OD1 ASN A 368 9.999 0.837 1.096 1.00 32.10 O ATOM 418 ND2 ASN A 368 10.303 2.887 0.294 1.00 11.11 N ATOM 0 H ASN A 368 7.875 0.757 -1.299 1.00 22.54 H new ATOM 0 HA ASN A 368 7.483 0.271 1.473 1.00 51.02 H new ATOM 0 HB2 ASN A 368 7.789 2.898 -0.014 1.00 43.22 H new ATOM 0 HB3 ASN A 368 7.828 2.719 1.729 1.00 43.22 H new ATOM 0 HD21 ASN A 368 11.314 2.759 0.251 1.00 11.11 H new ATOM 0 HD22 ASN A 368 9.888 3.770 -0.002 1.00 11.11 H new ATOM 425 N GLU A 369 5.009 1.533 -0.229 1.00 35.41 N ATOM 426 CA GLU A 369 3.601 1.876 -0.192 1.00 44.20 C ATOM 427 C GLU A 369 2.741 0.677 0.110 1.00 34.24 C ATOM 428 O GLU A 369 1.675 0.815 0.668 1.00 31.11 O ATOM 429 CB GLU A 369 3.150 2.607 -1.436 1.00 71.23 C ATOM 430 CG GLU A 369 3.802 3.962 -1.577 1.00 11.20 C ATOM 431 CD GLU A 369 3.490 4.860 -0.405 1.00 5.14 C ATOM 432 OE1 GLU A 369 2.475 5.569 -0.449 1.00 42.44 O ATOM 433 OE2 GLU A 369 4.250 4.875 0.563 1.00 12.11 O ATOM 0 H GLU A 369 5.401 1.474 -1.169 1.00 35.41 H new ATOM 0 HA GLU A 369 3.471 2.576 0.634 1.00 44.20 H new ATOM 0 HB2 GLU A 369 3.382 2.003 -2.313 1.00 71.23 H new ATOM 0 HB3 GLU A 369 2.067 2.729 -1.410 1.00 71.23 H new ATOM 0 HG2 GLU A 369 4.882 3.838 -1.663 1.00 11.20 H new ATOM 0 HG3 GLU A 369 3.461 4.435 -2.498 1.00 11.20 H new ATOM 440 N ILE A 370 3.191 -0.494 -0.308 1.00 12.41 N ATOM 441 CA ILE A 370 2.564 -1.754 0.089 1.00 74.40 C ATOM 442 C ILE A 370 2.577 -1.868 1.599 1.00 45.12 C ATOM 443 O ILE A 370 1.562 -2.171 2.214 1.00 31.11 O ATOM 444 CB ILE A 370 3.308 -2.944 -0.551 1.00 41.35 C ATOM 445 CG1 ILE A 370 3.107 -2.886 -2.051 1.00 51.31 C ATOM 446 CG2 ILE A 370 2.889 -4.317 0.031 1.00 54.22 C ATOM 447 CD1 ILE A 370 3.809 -3.955 -2.783 1.00 33.43 C ATOM 0 H ILE A 370 3.994 -0.604 -0.927 1.00 12.41 H new ATOM 0 HA ILE A 370 1.531 -1.771 -0.260 1.00 74.40 H new ATOM 0 HB ILE A 370 4.368 -2.852 -0.312 1.00 41.35 H new ATOM 0 HG12 ILE A 370 2.041 -2.948 -2.269 1.00 51.31 H new ATOM 0 HG13 ILE A 370 3.452 -1.919 -2.418 1.00 51.31 H new ATOM 0 HG21 ILE A 370 3.451 -5.109 -0.464 1.00 54.22 H new ATOM 0 HG22 ILE A 370 3.098 -4.338 1.101 1.00 54.22 H new ATOM 0 HG23 ILE A 370 1.823 -4.472 -0.133 1.00 54.22 H new ATOM 0 HD11 ILE A 370 3.619 -3.850 -3.851 1.00 33.43 H new ATOM 0 HD12 ILE A 370 4.880 -3.881 -2.596 1.00 33.43 H new ATOM 0 HD13 ILE A 370 3.448 -4.926 -2.444 1.00 33.43 H new ATOM 459 N TYR A 371 3.722 -1.580 2.194 1.00 70.50 N ATOM 460 CA TYR A 371 3.842 -1.589 3.650 1.00 21.42 C ATOM 461 C TYR A 371 2.918 -0.531 4.257 1.00 65.44 C ATOM 462 O TYR A 371 2.252 -0.754 5.263 1.00 44.41 O ATOM 463 CB TYR A 371 5.288 -1.341 4.097 1.00 41.41 C ATOM 464 CG TYR A 371 6.306 -2.323 3.550 1.00 4.51 C ATOM 465 CD1 TYR A 371 6.076 -3.688 3.570 1.00 72.55 C ATOM 466 CD2 TYR A 371 7.497 -1.874 3.007 1.00 5.45 C ATOM 467 CE1 TYR A 371 7.005 -4.572 3.069 1.00 63.05 C ATOM 468 CE2 TYR A 371 8.430 -2.751 2.503 1.00 23.23 C ATOM 469 CZ TYR A 371 8.180 -4.097 2.538 1.00 51.51 C ATOM 470 OH TYR A 371 9.107 -4.975 2.039 1.00 61.25 O ATOM 0 H TYR A 371 4.580 -1.338 1.699 1.00 70.50 H new ATOM 0 HA TYR A 371 3.547 -2.577 4.005 1.00 21.42 H new ATOM 0 HB2 TYR A 371 5.578 -0.335 3.795 1.00 41.41 H new ATOM 0 HB3 TYR A 371 5.326 -1.371 5.186 1.00 41.41 H new ATOM 0 HD1 TYR A 371 5.153 -4.065 3.985 1.00 72.55 H new ATOM 0 HD2 TYR A 371 7.698 -0.813 2.978 1.00 5.45 H new ATOM 0 HE1 TYR A 371 6.811 -5.634 3.093 1.00 63.05 H new ATOM 0 HE2 TYR A 371 9.353 -2.380 2.083 1.00 23.23 H new ATOM 0 HH TYR A 371 9.880 -4.477 1.700 1.00 61.25 H new ATOM 480 N ASN A 372 2.864 0.598 3.607 1.00 30.30 N ATOM 481 CA ASN A 372 2.026 1.703 4.015 1.00 74.11 C ATOM 482 C ASN A 372 0.538 1.345 3.854 1.00 53.43 C ATOM 483 O ASN A 372 -0.309 1.810 4.613 1.00 20.33 O ATOM 484 CB ASN A 372 2.391 2.918 3.173 1.00 20.45 C ATOM 485 CG ASN A 372 1.568 4.144 3.454 1.00 10.31 C ATOM 486 OD1 ASN A 372 1.094 4.369 4.568 1.00 42.01 O ATOM 487 ND2 ASN A 372 1.409 4.947 2.451 1.00 32.52 N ATOM 0 H ASN A 372 3.408 0.784 2.764 1.00 30.30 H new ATOM 0 HA ASN A 372 2.191 1.926 5.069 1.00 74.11 H new ATOM 0 HB2 ASN A 372 3.442 3.156 3.339 1.00 20.45 H new ATOM 0 HB3 ASN A 372 2.285 2.659 2.120 1.00 20.45 H new ATOM 0 HD21 ASN A 372 0.873 5.807 2.566 1.00 32.52 H new ATOM 0 HD22 ASN A 372 1.820 4.720 1.546 1.00 32.52 H new ATOM 494 N TRP A 373 0.240 0.495 2.879 1.00 72.44 N ATOM 495 CA TRP A 373 -1.111 0.041 2.625 1.00 30.34 C ATOM 496 C TRP A 373 -1.626 -0.724 3.815 1.00 73.22 C ATOM 497 O TRP A 373 -2.690 -0.413 4.340 1.00 63.51 O ATOM 498 CB TRP A 373 -1.180 -0.835 1.370 1.00 0.51 C ATOM 499 CG TRP A 373 -2.576 -1.270 1.034 1.00 31.12 C ATOM 500 CD1 TRP A 373 -3.462 -0.621 0.227 1.00 12.33 C ATOM 501 CD2 TRP A 373 -3.247 -2.448 1.508 1.00 74.24 C ATOM 502 NE1 TRP A 373 -4.638 -1.311 0.172 1.00 42.44 N ATOM 503 CE2 TRP A 373 -4.531 -2.450 0.955 1.00 42.12 C ATOM 504 CE3 TRP A 373 -2.874 -3.497 2.354 1.00 20.21 C ATOM 505 CZ2 TRP A 373 -5.453 -3.471 1.219 1.00 61.42 C ATOM 506 CZ3 TRP A 373 -3.782 -4.504 2.616 1.00 21.33 C ATOM 507 CH2 TRP A 373 -5.057 -4.486 2.050 1.00 33.42 C ATOM 0 H TRP A 373 0.935 0.103 2.243 1.00 72.44 H new ATOM 0 HA TRP A 373 -1.736 0.918 2.457 1.00 30.34 H new ATOM 0 HB2 TRP A 373 -0.764 -0.284 0.526 1.00 0.51 H new ATOM 0 HB3 TRP A 373 -0.556 -1.717 1.514 1.00 0.51 H new ATOM 0 HD1 TRP A 373 -3.262 0.304 -0.293 1.00 12.33 H new ATOM 0 HE1 TRP A 373 -5.463 -1.033 -0.360 1.00 42.44 H new ATOM 0 HE3 TRP A 373 -1.889 -3.519 2.797 1.00 20.21 H new ATOM 0 HZ2 TRP A 373 -6.441 -3.459 0.783 1.00 61.42 H new ATOM 0 HZ3 TRP A 373 -3.501 -5.317 3.269 1.00 21.33 H new ATOM 0 HH2 TRP A 373 -5.746 -5.288 2.271 1.00 33.42 H new ATOM 518 N PHE A 374 -0.857 -1.718 4.253 1.00 44.33 N ATOM 519 CA PHE A 374 -1.233 -2.516 5.412 1.00 44.14 C ATOM 520 C PHE A 374 -1.331 -1.653 6.641 1.00 52.43 C ATOM 521 O PHE A 374 -2.195 -1.847 7.463 1.00 23.21 O ATOM 522 CB PHE A 374 -0.251 -3.660 5.672 1.00 21.14 C ATOM 523 CG PHE A 374 -0.232 -4.759 4.653 1.00 34.13 C ATOM 524 CD1 PHE A 374 0.530 -4.661 3.508 1.00 2.40 C ATOM 525 CD2 PHE A 374 -0.967 -5.909 4.859 1.00 52.20 C ATOM 526 CE1 PHE A 374 0.560 -5.683 2.584 1.00 40.33 C ATOM 527 CE2 PHE A 374 -0.945 -6.933 3.942 1.00 22.45 C ATOM 528 CZ PHE A 374 -0.180 -6.822 2.801 1.00 3.40 C ATOM 0 H PHE A 374 0.028 -1.988 3.823 1.00 44.33 H new ATOM 0 HA PHE A 374 -2.207 -2.952 5.189 1.00 44.14 H new ATOM 0 HB2 PHE A 374 0.753 -3.241 5.743 1.00 21.14 H new ATOM 0 HB3 PHE A 374 -0.483 -4.097 6.643 1.00 21.14 H new ATOM 0 HD1 PHE A 374 1.113 -3.769 3.332 1.00 2.40 H new ATOM 0 HD2 PHE A 374 -1.567 -6.006 5.752 1.00 52.20 H new ATOM 0 HE1 PHE A 374 1.162 -5.590 1.693 1.00 40.33 H new ATOM 0 HE2 PHE A 374 -1.528 -7.825 4.116 1.00 22.45 H new ATOM 0 HZ PHE A 374 -0.162 -7.626 2.080 1.00 3.40 H new ATOM 538 N ALA A 375 -0.446 -0.695 6.748 1.00 22.13 N ATOM 539 CA ALA A 375 -0.444 0.216 7.878 1.00 24.12 C ATOM 540 C ALA A 375 -1.725 1.046 7.911 1.00 32.21 C ATOM 541 O ALA A 375 -2.333 1.241 8.958 1.00 3.45 O ATOM 542 CB ALA A 375 0.769 1.115 7.814 1.00 23.22 C ATOM 0 H ALA A 375 0.290 -0.520 6.064 1.00 22.13 H new ATOM 0 HA ALA A 375 -0.401 -0.371 8.796 1.00 24.12 H new ATOM 0 HB1 ALA A 375 0.763 1.795 8.665 1.00 23.22 H new ATOM 0 HB2 ALA A 375 1.674 0.508 7.841 1.00 23.22 H new ATOM 0 HB3 ALA A 375 0.746 1.691 6.889 1.00 23.22 H new ATOM 548 N SER A 376 -2.132 1.503 6.762 1.00 75.12 N ATOM 549 CA SER A 376 -3.307 2.326 6.630 1.00 13.13 C ATOM 550 C SER A 376 -4.620 1.506 6.675 1.00 64.23 C ATOM 551 O SER A 376 -5.557 1.879 7.385 1.00 51.31 O ATOM 552 CB SER A 376 -3.213 3.152 5.349 1.00 45.54 C ATOM 553 OG SER A 376 -2.002 3.911 5.330 1.00 54.43 O ATOM 0 H SER A 376 -1.655 1.315 5.880 1.00 75.12 H new ATOM 0 HA SER A 376 -3.342 2.996 7.489 1.00 13.13 H new ATOM 0 HB2 SER A 376 -3.250 2.493 4.481 1.00 45.54 H new ATOM 0 HB3 SER A 376 -4.070 3.822 5.278 1.00 45.54 H new ATOM 0 HG SER A 376 -1.253 3.326 5.090 1.00 54.43 H new ATOM 559 N ASN A 377 -4.680 0.377 5.947 1.00 71.44 N ATOM 560 CA ASN A 377 -5.932 -0.402 5.885 1.00 14.11 C ATOM 561 C ASN A 377 -6.081 -1.348 7.060 1.00 62.24 C ATOM 562 O ASN A 377 -7.176 -1.854 7.317 1.00 5.10 O ATOM 563 CB ASN A 377 -6.144 -1.210 4.559 1.00 53.21 C ATOM 564 CG ASN A 377 -6.365 -0.386 3.276 1.00 10.14 C ATOM 565 OD1 ASN A 377 -5.592 0.636 3.050 1.00 75.45 O flip ATOM 566 ND2 ASN A 377 -7.190 -0.761 2.435 1.00 65.42 N flip ATOM 0 H ASN A 377 -3.904 -0.008 5.409 1.00 71.44 H new ATOM 0 HA ASN A 377 -6.704 0.366 5.921 1.00 14.11 H new ATOM 0 HB2 ASN A 377 -5.275 -1.850 4.407 1.00 53.21 H new ATOM 0 HB3 ASN A 377 -7.003 -1.867 4.694 1.00 53.21 H new ATOM 0 HD21 ASN A 377 -7.788 -1.564 2.630 1.00 65.42 H new ATOM 0 HD22 ASN A 377 -7.273 -0.267 1.546 1.00 65.42 H new ATOM 573 N VAL A 378 -4.997 -1.618 7.752 1.00 31.44 N ATOM 574 CA VAL A 378 -5.032 -2.519 8.885 1.00 52.00 C ATOM 575 C VAL A 378 -4.504 -1.804 10.135 1.00 3.54 C ATOM 576 O VAL A 378 -3.353 -1.355 10.174 1.00 41.13 O ATOM 577 CB VAL A 378 -4.199 -3.809 8.623 1.00 3.35 C ATOM 578 CG1 VAL A 378 -4.295 -4.776 9.800 1.00 24.24 C ATOM 579 CG2 VAL A 378 -4.633 -4.491 7.328 1.00 43.24 C ATOM 0 H VAL A 378 -4.077 -1.226 7.550 1.00 31.44 H new ATOM 0 HA VAL A 378 -6.069 -2.818 9.041 1.00 52.00 H new ATOM 0 HB VAL A 378 -3.156 -3.511 8.515 1.00 3.35 H new ATOM 0 HG11 VAL A 378 -3.704 -5.667 9.588 1.00 24.24 H new ATOM 0 HG12 VAL A 378 -3.914 -4.293 10.700 1.00 24.24 H new ATOM 0 HG13 VAL A 378 -5.336 -5.060 9.954 1.00 24.24 H new ATOM 0 HG21 VAL A 378 -4.034 -5.388 7.171 1.00 43.24 H new ATOM 0 HG22 VAL A 378 -5.686 -4.764 7.396 1.00 43.24 H new ATOM 0 HG23 VAL A 378 -4.489 -3.808 6.491 1.00 43.24 H new ATOM 589 N PRO A 379 -5.328 -1.722 11.184 1.00 44.41 N ATOM 590 CA PRO A 379 -4.992 -0.983 12.407 1.00 44.34 C ATOM 591 C PRO A 379 -3.818 -1.597 13.176 1.00 71.41 C ATOM 592 O PRO A 379 -3.103 -0.899 13.903 1.00 53.23 O ATOM 593 CB PRO A 379 -6.278 -1.043 13.230 1.00 73.32 C ATOM 594 CG PRO A 379 -7.022 -2.223 12.714 1.00 51.22 C ATOM 595 CD PRO A 379 -6.659 -2.352 11.265 1.00 33.41 C ATOM 0 HA PRO A 379 -4.665 0.032 12.184 1.00 44.34 H new ATOM 0 HB2 PRO A 379 -6.060 -1.150 14.293 1.00 73.32 H new ATOM 0 HB3 PRO A 379 -6.861 -0.129 13.115 1.00 73.32 H new ATOM 0 HG2 PRO A 379 -6.751 -3.124 13.264 1.00 51.22 H new ATOM 0 HG3 PRO A 379 -8.097 -2.088 12.835 1.00 51.22 H new ATOM 0 HD2 PRO A 379 -6.629 -3.395 10.951 1.00 33.41 H new ATOM 0 HD3 PRO A 379 -7.382 -1.847 10.624 1.00 33.41 H new ATOM 603 N TYR A 380 -3.616 -2.890 12.995 1.00 23.52 N ATOM 604 CA TYR A 380 -2.524 -3.612 13.622 1.00 64.43 C ATOM 605 C TYR A 380 -1.189 -3.051 13.115 1.00 23.51 C ATOM 606 O TYR A 380 -0.244 -2.829 13.886 1.00 63.14 O ATOM 607 CB TYR A 380 -2.664 -5.091 13.241 1.00 71.23 C ATOM 608 CG TYR A 380 -1.702 -6.027 13.911 1.00 33.42 C ATOM 609 CD1 TYR A 380 -1.891 -6.396 15.228 1.00 21.21 C ATOM 610 CD2 TYR A 380 -0.626 -6.564 13.224 1.00 12.15 C ATOM 611 CE1 TYR A 380 -1.042 -7.273 15.850 1.00 0.00 C ATOM 612 CE2 TYR A 380 0.240 -7.446 13.835 1.00 4.05 C ATOM 613 CZ TYR A 380 0.027 -7.801 15.153 1.00 52.44 C ATOM 614 OH TYR A 380 0.884 -8.690 15.779 1.00 11.54 O ATOM 0 H TYR A 380 -4.210 -3.472 12.404 1.00 23.52 H new ATOM 0 HA TYR A 380 -2.552 -3.503 14.706 1.00 64.43 H new ATOM 0 HB2 TYR A 380 -3.679 -5.413 13.474 1.00 71.23 H new ATOM 0 HB3 TYR A 380 -2.541 -5.183 12.162 1.00 71.23 H new ATOM 0 HD1 TYR A 380 -2.724 -5.985 15.779 1.00 21.21 H new ATOM 0 HD2 TYR A 380 -0.463 -6.287 12.193 1.00 12.15 H new ATOM 0 HE1 TYR A 380 -1.208 -7.550 16.881 1.00 0.00 H new ATOM 0 HE2 TYR A 380 1.077 -7.855 13.288 1.00 4.05 H new ATOM 0 HH TYR A 380 1.583 -8.968 15.151 1.00 11.54 H new ATOM 624 N PHE A 381 -1.131 -2.821 11.819 1.00 2.22 N ATOM 625 CA PHE A 381 0.054 -2.306 11.173 1.00 64.30 C ATOM 626 C PHE A 381 0.263 -0.842 11.369 1.00 22.04 C ATOM 627 O PHE A 381 1.377 -0.384 11.325 1.00 62.45 O ATOM 628 CB PHE A 381 0.156 -2.729 9.744 1.00 51.55 C ATOM 629 CG PHE A 381 0.206 -4.190 9.650 1.00 12.42 C ATOM 630 CD1 PHE A 381 1.189 -4.906 10.308 1.00 70.22 C ATOM 631 CD2 PHE A 381 -0.742 -4.855 8.962 1.00 0.52 C ATOM 632 CE1 PHE A 381 1.210 -6.264 10.256 1.00 13.10 C ATOM 633 CE2 PHE A 381 -0.741 -6.195 8.907 1.00 32.21 C ATOM 634 CZ PHE A 381 0.245 -6.915 9.557 1.00 14.13 C ATOM 0 H PHE A 381 -1.910 -2.988 11.183 1.00 2.22 H new ATOM 0 HA PHE A 381 0.892 -2.774 11.690 1.00 64.30 H new ATOM 0 HB2 PHE A 381 -0.699 -2.351 9.183 1.00 51.55 H new ATOM 0 HB3 PHE A 381 1.049 -2.298 9.293 1.00 51.55 H new ATOM 0 HD1 PHE A 381 1.948 -4.381 10.869 1.00 70.22 H new ATOM 0 HD2 PHE A 381 -1.514 -4.301 8.448 1.00 0.52 H new ATOM 0 HE1 PHE A 381 1.985 -6.819 10.764 1.00 13.10 H new ATOM 0 HE2 PHE A 381 -1.511 -6.713 8.354 1.00 32.21 H new ATOM 0 HZ PHE A 381 0.247 -7.994 9.509 1.00 14.13 H new ATOM 644 N GLY A 382 -0.812 -0.096 11.559 1.00 44.11 N ATOM 645 CA GLY A 382 -0.675 1.327 11.876 1.00 64.14 C ATOM 646 C GLY A 382 0.146 1.512 13.158 1.00 2.25 C ATOM 647 O GLY A 382 0.859 2.506 13.336 1.00 65.54 O ATOM 0 H GLY A 382 -1.772 -0.436 11.502 1.00 44.11 H new ATOM 0 HA2 GLY A 382 -0.191 1.846 11.048 1.00 64.14 H new ATOM 0 HA3 GLY A 382 -1.661 1.775 12.000 1.00 64.14 H new ATOM 651 N ASN A 383 0.061 0.512 14.016 1.00 5.15 N ATOM 652 CA ASN A 383 0.780 0.436 15.248 1.00 21.24 C ATOM 653 C ASN A 383 2.223 -0.086 15.022 1.00 25.50 C ATOM 654 O ASN A 383 3.095 0.031 15.887 1.00 10.24 O ATOM 655 CB ASN A 383 -0.043 -0.440 16.201 1.00 11.04 C ATOM 656 CG ASN A 383 0.755 -1.171 17.219 1.00 72.12 C ATOM 657 OD1 ASN A 383 1.028 -0.682 18.325 1.00 61.23 O ATOM 658 ND2 ASN A 383 1.109 -2.367 16.863 1.00 20.31 N ATOM 0 H ASN A 383 -0.539 -0.297 13.855 1.00 5.15 H new ATOM 0 HA ASN A 383 0.906 1.422 15.695 1.00 21.24 H new ATOM 0 HB2 ASN A 383 -0.771 0.189 16.713 1.00 11.04 H new ATOM 0 HB3 ASN A 383 -0.606 -1.164 15.612 1.00 11.04 H new ATOM 0 HD21 ASN A 383 1.639 -2.955 17.506 1.00 20.31 H new ATOM 0 HD22 ASN A 383 0.857 -2.720 15.940 1.00 20.31 H new ATOM 665 N ARG A 384 2.471 -0.628 13.852 1.00 71.40 N ATOM 666 CA ARG A 384 3.787 -1.096 13.481 1.00 61.53 C ATOM 667 C ARG A 384 4.268 -0.350 12.254 1.00 11.24 C ATOM 668 O ARG A 384 4.369 -0.916 11.166 1.00 42.43 O ATOM 669 CB ARG A 384 3.843 -2.609 13.221 1.00 23.25 C ATOM 670 CG ARG A 384 3.576 -3.501 14.415 1.00 61.41 C ATOM 671 CD ARG A 384 3.774 -4.960 14.028 1.00 12.24 C ATOM 672 NE ARG A 384 3.579 -5.872 15.152 1.00 70.13 N ATOM 673 CZ ARG A 384 3.998 -7.145 15.193 1.00 42.30 C ATOM 674 NH1 ARG A 384 4.717 -7.653 14.192 1.00 31.25 N ATOM 675 NH2 ARG A 384 3.724 -7.896 16.253 1.00 42.04 N ATOM 0 H ARG A 384 1.764 -0.757 13.128 1.00 71.40 H new ATOM 0 HA ARG A 384 4.441 -0.898 14.330 1.00 61.53 H new ATOM 0 HB2 ARG A 384 3.118 -2.850 12.444 1.00 23.25 H new ATOM 0 HB3 ARG A 384 4.829 -2.853 12.824 1.00 23.25 H new ATOM 0 HG2 ARG A 384 4.247 -3.239 15.233 1.00 61.41 H new ATOM 0 HG3 ARG A 384 2.559 -3.346 14.775 1.00 61.41 H new ATOM 0 HD2 ARG A 384 3.077 -5.218 13.231 1.00 12.24 H new ATOM 0 HD3 ARG A 384 4.779 -5.092 13.628 1.00 12.24 H new ATOM 0 HE ARG A 384 3.086 -5.513 15.969 1.00 70.13 H new ATOM 0 HH11 ARG A 384 4.952 -7.072 13.387 1.00 31.25 H new ATOM 0 HH12 ARG A 384 5.032 -8.622 14.231 1.00 31.25 H new ATOM 0 HH21 ARG A 384 3.196 -7.504 17.033 1.00 42.04 H new ATOM 0 HH22 ARG A 384 4.041 -8.865 16.287 1.00 42.04 H new ATOM 689 N THR A 385 4.516 0.916 12.422 1.00 73.34 N ATOM 690 CA THR A 385 4.911 1.760 11.313 1.00 35.11 C ATOM 691 C THR A 385 6.341 2.278 11.443 1.00 61.33 C ATOM 692 O THR A 385 6.910 2.801 10.480 1.00 44.10 O ATOM 693 CB THR A 385 3.928 2.933 11.126 1.00 3.31 C ATOM 694 OG1 THR A 385 3.648 3.558 12.400 1.00 55.42 O ATOM 695 CG2 THR A 385 2.638 2.470 10.487 1.00 2.21 C ATOM 0 H THR A 385 4.453 1.397 13.319 1.00 73.34 H new ATOM 0 HA THR A 385 4.879 1.130 10.424 1.00 35.11 H new ATOM 0 HB THR A 385 4.396 3.660 10.462 1.00 3.31 H new ATOM 0 HG1 THR A 385 2.769 3.266 12.721 1.00 55.42 H new ATOM 0 HG21 THR A 385 1.965 3.319 10.368 1.00 2.21 H new ATOM 0 HG22 THR A 385 2.851 2.037 9.510 1.00 2.21 H new ATOM 0 HG23 THR A 385 2.166 1.720 11.122 1.00 2.21 H new ATOM 703 N SER A 386 6.929 2.123 12.617 1.00 3.43 N ATOM 704 CA SER A 386 8.279 2.576 12.838 1.00 42.13 C ATOM 705 C SER A 386 9.234 1.522 12.253 1.00 71.21 C ATOM 706 O SER A 386 8.794 0.413 11.949 1.00 42.14 O ATOM 707 CB SER A 386 8.507 2.823 14.336 1.00 4.11 C ATOM 708 OG SER A 386 9.765 3.414 14.587 1.00 2.35 O ATOM 0 H SER A 386 6.488 1.687 13.427 1.00 3.43 H new ATOM 0 HA SER A 386 8.468 3.526 12.338 1.00 42.13 H new ATOM 0 HB2 SER A 386 7.719 3.470 14.721 1.00 4.11 H new ATOM 0 HB3 SER A 386 8.436 1.878 14.875 1.00 4.11 H new ATOM 0 HG SER A 386 9.873 3.557 15.550 1.00 2.35 H new ATOM 714 N GLN A 387 10.514 1.844 12.107 1.00 30.22 N ATOM 715 CA GLN A 387 11.453 0.954 11.408 1.00 74.31 C ATOM 716 C GLN A 387 11.536 -0.444 12.014 1.00 3.45 C ATOM 717 O GLN A 387 11.330 -1.421 11.318 1.00 53.13 O ATOM 718 CB GLN A 387 12.841 1.575 11.277 1.00 14.31 C ATOM 719 CG GLN A 387 12.862 2.863 10.472 1.00 34.24 C ATOM 720 CD GLN A 387 14.252 3.445 10.332 1.00 51.13 C ATOM 721 OE1 GLN A 387 15.252 2.718 10.308 1.00 13.21 O ATOM 722 NE2 GLN A 387 14.333 4.740 10.259 1.00 72.42 N ATOM 0 H GLN A 387 10.930 2.707 12.458 1.00 30.22 H new ATOM 0 HA GLN A 387 11.039 0.832 10.407 1.00 74.31 H new ATOM 0 HB2 GLN A 387 13.236 1.774 12.273 1.00 14.31 H new ATOM 0 HB3 GLN A 387 13.509 0.853 10.808 1.00 14.31 H new ATOM 0 HG2 GLN A 387 12.451 2.673 9.480 1.00 34.24 H new ATOM 0 HG3 GLN A 387 12.213 3.596 10.951 1.00 34.24 H new ATOM 0 HE21 GLN A 387 13.485 5.306 10.282 1.00 72.42 H new ATOM 0 HE22 GLN A 387 15.245 5.190 10.179 1.00 72.42 H new ATOM 731 N GLU A 388 11.777 -0.538 13.302 1.00 72.13 N ATOM 732 CA GLU A 388 11.897 -1.848 13.940 1.00 24.31 C ATOM 733 C GLU A 388 10.535 -2.487 14.136 1.00 62.13 C ATOM 734 O GLU A 388 10.395 -3.702 14.100 1.00 61.11 O ATOM 735 CB GLU A 388 12.656 -1.759 15.255 1.00 42.12 C ATOM 736 CG GLU A 388 14.058 -1.226 15.091 1.00 61.14 C ATOM 737 CD GLU A 388 14.816 -1.192 16.374 1.00 64.34 C ATOM 738 OE1 GLU A 388 15.306 -2.257 16.804 1.00 31.50 O ATOM 739 OE2 GLU A 388 14.963 -0.114 16.967 1.00 30.13 O ATOM 0 H GLU A 388 11.894 0.258 13.928 1.00 72.13 H new ATOM 0 HA GLU A 388 12.473 -2.488 13.272 1.00 24.31 H new ATOM 0 HB2 GLU A 388 12.107 -1.116 15.942 1.00 42.12 H new ATOM 0 HB3 GLU A 388 12.700 -2.748 15.710 1.00 42.12 H new ATOM 0 HG2 GLU A 388 14.596 -1.845 14.373 1.00 61.14 H new ATOM 0 HG3 GLU A 388 14.013 -0.220 14.674 1.00 61.14 H new ATOM 746 N GLN A 389 9.535 -1.655 14.318 1.00 64.05 N ATOM 747 CA GLN A 389 8.164 -2.104 14.477 1.00 40.55 C ATOM 748 C GLN A 389 7.614 -2.726 13.198 1.00 1.43 C ATOM 749 O GLN A 389 6.845 -3.682 13.242 1.00 35.23 O ATOM 750 CB GLN A 389 7.281 -0.933 14.928 1.00 24.15 C ATOM 751 CG GLN A 389 7.490 -0.521 16.382 1.00 55.02 C ATOM 752 CD GLN A 389 6.951 -1.557 17.355 1.00 12.24 C ATOM 753 OE1 GLN A 389 5.859 -2.188 16.990 1.00 30.42 O flip ATOM 754 NE2 GLN A 389 7.483 -1.746 18.449 1.00 64.32 N flip ATOM 0 H GLN A 389 9.647 -0.642 14.361 1.00 64.05 H new ATOM 0 HA GLN A 389 8.154 -2.881 15.242 1.00 40.55 H new ATOM 0 HB2 GLN A 389 7.478 -0.074 14.286 1.00 24.15 H new ATOM 0 HB3 GLN A 389 6.235 -1.204 14.785 1.00 24.15 H new ATOM 0 HG2 GLN A 389 8.554 -0.371 16.566 1.00 55.02 H new ATOM 0 HG3 GLN A 389 6.997 0.435 16.562 1.00 55.02 H new ATOM 0 HE21 GLN A 389 8.331 -1.237 18.698 1.00 64.32 H new ATOM 0 HE22 GLN A 389 7.076 -2.411 19.106 1.00 64.32 H new ATOM 763 N SER A 390 8.018 -2.197 12.081 1.00 21.44 N ATOM 764 CA SER A 390 7.500 -2.627 10.815 1.00 54.43 C ATOM 765 C SER A 390 8.422 -3.645 10.109 1.00 10.30 C ATOM 766 O SER A 390 7.953 -4.471 9.322 1.00 51.43 O ATOM 767 CB SER A 390 7.254 -1.390 9.940 1.00 73.31 C ATOM 768 OG SER A 390 6.610 -1.711 8.736 1.00 31.41 O ATOM 0 H SER A 390 8.716 -1.455 12.021 1.00 21.44 H new ATOM 0 HA SER A 390 6.560 -3.153 10.985 1.00 54.43 H new ATOM 0 HB2 SER A 390 6.649 -0.671 10.493 1.00 73.31 H new ATOM 0 HB3 SER A 390 8.206 -0.906 9.723 1.00 73.31 H new ATOM 0 HG SER A 390 5.851 -2.303 8.919 1.00 31.41 H new ATOM 774 N ALA A 391 9.717 -3.606 10.423 1.00 22.02 N ATOM 775 CA ALA A 391 10.726 -4.455 9.763 1.00 2.41 C ATOM 776 C ALA A 391 10.375 -5.946 9.759 1.00 4.04 C ATOM 777 O ALA A 391 10.616 -6.635 8.761 1.00 74.21 O ATOM 778 CB ALA A 391 12.090 -4.245 10.393 1.00 71.11 C ATOM 0 H ALA A 391 10.102 -2.989 11.139 1.00 22.02 H new ATOM 0 HA ALA A 391 10.743 -4.141 8.719 1.00 2.41 H new ATOM 0 HB1 ALA A 391 12.823 -4.879 9.894 1.00 71.11 H new ATOM 0 HB2 ALA A 391 12.383 -3.200 10.288 1.00 71.11 H new ATOM 0 HB3 ALA A 391 12.046 -4.504 11.451 1.00 71.11 H new ATOM 784 N GLY A 392 9.800 -6.422 10.844 1.00 24.31 N ATOM 785 CA GLY A 392 9.472 -7.824 10.960 1.00 5.53 C ATOM 786 C GLY A 392 8.405 -8.272 10.006 1.00 12.23 C ATOM 787 O GLY A 392 8.581 -9.273 9.298 1.00 53.11 O ATOM 0 H GLY A 392 9.551 -5.858 11.656 1.00 24.31 H new ATOM 0 HA2 GLY A 392 10.372 -8.414 10.789 1.00 5.53 H new ATOM 0 HA3 GLY A 392 9.146 -8.029 11.980 1.00 5.53 H new ATOM 791 N TRP A 393 7.297 -7.556 9.956 1.00 12.42 N ATOM 792 CA TRP A 393 6.247 -7.948 9.057 1.00 32.12 C ATOM 793 C TRP A 393 6.637 -7.655 7.596 1.00 42.51 C ATOM 794 O TRP A 393 6.184 -8.350 6.676 1.00 73.31 O ATOM 795 CB TRP A 393 4.847 -7.421 9.468 1.00 75.34 C ATOM 796 CG TRP A 393 4.679 -5.951 9.462 1.00 42.20 C ATOM 797 CD1 TRP A 393 5.037 -5.081 10.428 1.00 51.33 C ATOM 798 CD2 TRP A 393 4.064 -5.192 8.445 1.00 73.53 C ATOM 799 NE1 TRP A 393 4.697 -3.809 10.057 1.00 23.41 N ATOM 800 CE2 TRP A 393 4.103 -3.849 8.844 1.00 22.23 C ATOM 801 CE3 TRP A 393 3.495 -5.522 7.232 1.00 64.24 C ATOM 802 CZ2 TRP A 393 3.593 -2.824 8.067 1.00 61.32 C ATOM 803 CZ3 TRP A 393 2.985 -4.508 6.454 1.00 54.41 C ATOM 804 CH2 TRP A 393 3.040 -3.174 6.875 1.00 15.03 C ATOM 0 H TRP A 393 7.110 -6.723 10.514 1.00 12.42 H new ATOM 0 HA TRP A 393 6.137 -9.030 9.135 1.00 32.12 H new ATOM 0 HB2 TRP A 393 4.106 -7.854 8.796 1.00 75.34 H new ATOM 0 HB3 TRP A 393 4.622 -7.788 10.469 1.00 75.34 H new ATOM 0 HD1 TRP A 393 5.520 -5.349 11.356 1.00 51.33 H new ATOM 0 HE1 TRP A 393 4.865 -2.967 10.607 1.00 23.41 H new ATOM 0 HE3 TRP A 393 3.451 -6.549 6.902 1.00 64.24 H new ATOM 0 HZ2 TRP A 393 3.632 -1.795 8.392 1.00 61.32 H new ATOM 0 HZ3 TRP A 393 2.534 -4.746 5.502 1.00 54.41 H new ATOM 0 HH2 TRP A 393 2.633 -2.403 6.237 1.00 15.03 H new ATOM 815 N LYS A 394 7.513 -6.638 7.389 1.00 43.43 N ATOM 816 CA LYS A 394 8.106 -6.397 6.071 1.00 74.02 C ATOM 817 C LYS A 394 8.902 -7.606 5.634 1.00 54.25 C ATOM 818 O LYS A 394 8.837 -8.026 4.477 1.00 2.43 O ATOM 819 CB LYS A 394 9.047 -5.198 6.092 1.00 44.43 C ATOM 820 CG LYS A 394 8.359 -3.896 6.318 1.00 35.45 C ATOM 821 CD LYS A 394 9.330 -2.742 6.320 1.00 63.41 C ATOM 822 CE LYS A 394 8.580 -1.464 6.516 1.00 35.00 C ATOM 823 NZ LYS A 394 9.450 -0.271 6.450 1.00 70.52 N ATOM 0 H LYS A 394 7.814 -5.987 8.114 1.00 43.43 H new ATOM 0 HA LYS A 394 7.287 -6.200 5.379 1.00 74.02 H new ATOM 0 HB2 LYS A 394 9.791 -5.346 6.875 1.00 44.43 H new ATOM 0 HB3 LYS A 394 9.585 -5.154 5.145 1.00 44.43 H new ATOM 0 HG2 LYS A 394 7.611 -3.740 5.540 1.00 35.45 H new ATOM 0 HG3 LYS A 394 7.828 -3.926 7.269 1.00 35.45 H new ATOM 0 HD2 LYS A 394 10.064 -2.871 7.115 1.00 63.41 H new ATOM 0 HD3 LYS A 394 9.880 -2.713 5.379 1.00 63.41 H new ATOM 0 HE2 LYS A 394 7.804 -1.384 5.755 1.00 35.00 H new ATOM 0 HE3 LYS A 394 8.077 -1.488 7.483 1.00 35.00 H new ATOM 0 HZ1 LYS A 394 8.877 0.585 6.593 1.00 70.52 H new ATOM 0 HZ2 LYS A 394 10.176 -0.329 7.192 1.00 70.52 H new ATOM 0 HZ3 LYS A 394 9.910 -0.228 5.518 1.00 70.52 H new ATOM 837 N ASN A 395 9.632 -8.186 6.587 1.00 54.32 N ATOM 838 CA ASN A 395 10.488 -9.342 6.325 1.00 1.21 C ATOM 839 C ASN A 395 9.645 -10.516 5.823 1.00 72.31 C ATOM 840 O ASN A 395 10.030 -11.232 4.892 1.00 21.24 O ATOM 841 CB ASN A 395 11.253 -9.712 7.611 1.00 31.54 C ATOM 842 CG ASN A 395 12.186 -10.902 7.474 1.00 3.24 C ATOM 843 OD1 ASN A 395 12.728 -11.181 6.399 1.00 60.34 O ATOM 844 ND2 ASN A 395 12.390 -11.605 8.566 1.00 31.42 N ATOM 0 H ASN A 395 9.647 -7.870 7.557 1.00 54.32 H new ATOM 0 HA ASN A 395 11.213 -9.097 5.549 1.00 1.21 H new ATOM 0 HB2 ASN A 395 11.834 -8.848 7.934 1.00 31.54 H new ATOM 0 HB3 ASN A 395 10.530 -9.923 8.399 1.00 31.54 H new ATOM 0 HD21 ASN A 395 13.014 -12.412 8.544 1.00 31.42 H new ATOM 0 HD22 ASN A 395 11.924 -11.344 9.435 1.00 31.42 H new ATOM 851 N SER A 396 8.480 -10.672 6.411 1.00 44.43 N ATOM 852 CA SER A 396 7.557 -11.718 6.032 1.00 52.15 C ATOM 853 C SER A 396 6.977 -11.469 4.615 1.00 22.44 C ATOM 854 O SER A 396 6.837 -12.406 3.811 1.00 21.40 O ATOM 855 CB SER A 396 6.455 -11.789 7.064 1.00 30.04 C ATOM 856 OG SER A 396 6.993 -11.965 8.360 1.00 12.13 O ATOM 0 H SER A 396 8.145 -10.075 7.168 1.00 44.43 H new ATOM 0 HA SER A 396 8.086 -12.671 5.996 1.00 52.15 H new ATOM 0 HB2 SER A 396 5.861 -10.875 7.033 1.00 30.04 H new ATOM 0 HB3 SER A 396 5.783 -12.614 6.829 1.00 30.04 H new ATOM 0 HG SER A 396 6.264 -12.007 9.014 1.00 12.13 H new ATOM 862 N ILE A 397 6.656 -10.211 4.314 1.00 71.41 N ATOM 863 CA ILE A 397 6.165 -9.828 2.983 1.00 72.03 C ATOM 864 C ILE A 397 7.232 -10.124 1.925 1.00 61.14 C ATOM 865 O ILE A 397 6.944 -10.739 0.889 1.00 35.23 O ATOM 866 CB ILE A 397 5.744 -8.320 2.941 1.00 11.04 C ATOM 867 CG1 ILE A 397 4.475 -8.100 3.777 1.00 21.50 C ATOM 868 CG2 ILE A 397 5.541 -7.822 1.507 1.00 54.43 C ATOM 869 CD1 ILE A 397 4.040 -6.664 3.882 1.00 61.11 C ATOM 0 H ILE A 397 6.726 -9.436 4.973 1.00 71.41 H new ATOM 0 HA ILE A 397 5.277 -10.421 2.764 1.00 72.03 H new ATOM 0 HB ILE A 397 6.558 -7.737 3.372 1.00 11.04 H new ATOM 0 HG12 ILE A 397 3.663 -8.682 3.342 1.00 21.50 H new ATOM 0 HG13 ILE A 397 4.644 -8.490 4.781 1.00 21.50 H new ATOM 0 HG21 ILE A 397 5.250 -6.772 1.524 1.00 54.43 H new ATOM 0 HG22 ILE A 397 6.471 -7.932 0.949 1.00 54.43 H new ATOM 0 HG23 ILE A 397 4.758 -8.408 1.026 1.00 54.43 H new ATOM 0 HD11 ILE A 397 3.137 -6.601 4.489 1.00 61.11 H new ATOM 0 HD12 ILE A 397 4.832 -6.077 4.347 1.00 61.11 H new ATOM 0 HD13 ILE A 397 3.835 -6.272 2.886 1.00 61.11 H new ATOM 881 N ARG A 398 8.461 -9.724 2.219 1.00 14.31 N ATOM 882 CA ARG A 398 9.600 -9.961 1.341 1.00 41.33 C ATOM 883 C ARG A 398 9.836 -11.445 1.097 1.00 74.13 C ATOM 884 O ARG A 398 10.247 -11.838 0.001 1.00 22.41 O ATOM 885 CB ARG A 398 10.842 -9.286 1.894 1.00 71.11 C ATOM 886 CG ARG A 398 10.790 -7.777 1.814 1.00 62.02 C ATOM 887 CD ARG A 398 10.846 -7.286 0.370 1.00 55.43 C ATOM 888 NE ARG A 398 12.103 -7.688 -0.285 1.00 32.23 N ATOM 889 CZ ARG A 398 12.448 -7.429 -1.558 1.00 72.52 C ATOM 890 NH1 ARG A 398 11.611 -6.789 -2.374 1.00 70.33 N ATOM 891 NH2 ARG A 398 13.632 -7.816 -1.998 1.00 13.51 N ATOM 0 H ARG A 398 8.698 -9.224 3.076 1.00 14.31 H new ATOM 0 HA ARG A 398 9.369 -9.519 0.372 1.00 41.33 H new ATOM 0 HB2 ARG A 398 10.976 -9.583 2.934 1.00 71.11 H new ATOM 0 HB3 ARG A 398 11.715 -9.642 1.346 1.00 71.11 H new ATOM 0 HG2 ARG A 398 9.874 -7.419 2.285 1.00 62.02 H new ATOM 0 HG3 ARG A 398 11.623 -7.354 2.375 1.00 62.02 H new ATOM 0 HD2 ARG A 398 9.999 -7.688 -0.186 1.00 55.43 H new ATOM 0 HD3 ARG A 398 10.754 -6.200 0.349 1.00 55.43 H new ATOM 0 HE ARG A 398 12.773 -8.211 0.279 1.00 32.23 H new ATOM 0 HH11 ARG A 398 10.697 -6.490 -2.035 1.00 70.33 H new ATOM 0 HH12 ARG A 398 11.885 -6.598 -3.338 1.00 70.33 H new ATOM 0 HH21 ARG A 398 14.273 -8.306 -1.374 1.00 13.51 H new ATOM 0 HH22 ARG A 398 13.905 -7.625 -2.962 1.00 13.51 H new ATOM 905 N HIS A 399 9.566 -12.266 2.109 1.00 31.01 N ATOM 906 CA HIS A 399 9.672 -13.724 1.953 1.00 32.22 C ATOM 907 C HIS A 399 8.676 -14.222 0.925 1.00 65.23 C ATOM 908 O HIS A 399 9.035 -14.949 0.009 1.00 71.15 O ATOM 909 CB HIS A 399 9.471 -14.488 3.273 1.00 43.22 C ATOM 910 CG HIS A 399 10.531 -14.266 4.299 1.00 32.21 C ATOM 911 ND1 HIS A 399 10.308 -14.396 5.648 1.00 21.00 N ATOM 912 CD2 HIS A 399 11.838 -13.951 4.170 1.00 51.42 C ATOM 913 CE1 HIS A 399 11.424 -14.171 6.298 1.00 53.25 C ATOM 914 NE2 HIS A 399 12.368 -13.899 5.427 1.00 34.41 N ATOM 0 H HIS A 399 9.275 -11.957 3.037 1.00 31.01 H new ATOM 0 HA HIS A 399 10.689 -13.921 1.615 1.00 32.22 H new ATOM 0 HB2 HIS A 399 8.509 -14.201 3.698 1.00 43.22 H new ATOM 0 HB3 HIS A 399 9.417 -15.554 3.053 1.00 43.22 H new ATOM 0 HD2 HIS A 399 12.366 -13.773 3.245 1.00 51.42 H new ATOM 0 HE1 HIS A 399 11.546 -14.204 7.371 1.00 53.25 H new ATOM 0 HE2 HIS A 399 13.339 -13.684 5.653 1.00 34.41 H new ATOM 923 N ASN A 400 7.426 -13.804 1.063 1.00 32.32 N ATOM 924 CA ASN A 400 6.373 -14.205 0.117 1.00 5.21 C ATOM 925 C ASN A 400 6.651 -13.690 -1.282 1.00 21.11 C ATOM 926 O ASN A 400 6.308 -14.343 -2.269 1.00 42.33 O ATOM 927 CB ASN A 400 4.967 -13.787 0.587 1.00 51.24 C ATOM 928 CG ASN A 400 4.457 -14.617 1.750 1.00 74.45 C ATOM 929 OD1 ASN A 400 3.826 -15.653 1.547 1.00 73.22 O ATOM 930 ND2 ASN A 400 4.695 -14.172 2.954 1.00 32.31 N ATOM 0 H ASN A 400 7.109 -13.191 1.814 1.00 32.32 H new ATOM 0 HA ASN A 400 6.390 -15.294 0.085 1.00 5.21 H new ATOM 0 HB2 ASN A 400 4.985 -12.737 0.878 1.00 51.24 H new ATOM 0 HB3 ASN A 400 4.271 -13.875 -0.247 1.00 51.24 H new ATOM 0 HD21 ASN A 400 4.354 -14.688 3.765 1.00 32.31 H new ATOM 0 HD22 ASN A 400 5.222 -13.308 3.084 1.00 32.31 H new ATOM 937 N LEU A 401 7.275 -12.533 -1.367 1.00 13.04 N ATOM 938 CA LEU A 401 7.670 -11.963 -2.645 1.00 32.35 C ATOM 939 C LEU A 401 8.774 -12.788 -3.308 1.00 33.13 C ATOM 940 O LEU A 401 8.840 -12.875 -4.513 1.00 73.40 O ATOM 941 CB LEU A 401 8.085 -10.483 -2.480 1.00 22.20 C ATOM 942 CG LEU A 401 6.955 -9.531 -2.044 1.00 33.54 C ATOM 943 CD1 LEU A 401 7.454 -8.104 -1.846 1.00 45.12 C ATOM 944 CD2 LEU A 401 5.855 -9.545 -3.066 1.00 63.43 C ATOM 0 H LEU A 401 7.523 -11.962 -0.559 1.00 13.04 H new ATOM 0 HA LEU A 401 6.806 -11.994 -3.309 1.00 32.35 H new ATOM 0 HB2 LEU A 401 8.889 -10.427 -1.746 1.00 22.20 H new ATOM 0 HB3 LEU A 401 8.492 -10.128 -3.427 1.00 22.20 H new ATOM 0 HG LEU A 401 6.578 -9.886 -1.085 1.00 33.54 H new ATOM 0 HD11 LEU A 401 6.624 -7.468 -1.539 1.00 45.12 H new ATOM 0 HD12 LEU A 401 8.225 -8.092 -1.075 1.00 45.12 H new ATOM 0 HD13 LEU A 401 7.870 -7.731 -2.782 1.00 45.12 H new ATOM 0 HD21 LEU A 401 5.059 -8.870 -2.753 1.00 63.43 H new ATOM 0 HD22 LEU A 401 6.249 -9.219 -4.029 1.00 63.43 H new ATOM 0 HD23 LEU A 401 5.458 -10.556 -3.160 1.00 63.43 H new ATOM 1257 N TRP A 421 7.215 -3.112 -7.704 1.00 12.22 N ATOM 1258 CA TRP A 421 7.089 -4.399 -8.341 1.00 21.42 C ATOM 1259 C TRP A 421 5.639 -4.622 -8.802 1.00 72.54 C ATOM 1260 O TRP A 421 4.734 -3.853 -8.422 1.00 13.03 O ATOM 1261 CB TRP A 421 7.582 -5.532 -7.395 1.00 41.05 C ATOM 1262 CG TRP A 421 6.788 -5.698 -6.165 1.00 61.20 C ATOM 1263 CD1 TRP A 421 7.016 -5.125 -4.961 1.00 32.54 C ATOM 1264 CD2 TRP A 421 5.643 -6.521 -6.016 1.00 73.11 C ATOM 1265 NE1 TRP A 421 6.075 -5.542 -4.078 1.00 62.21 N ATOM 1266 CE2 TRP A 421 5.213 -6.395 -4.711 1.00 50.41 C ATOM 1267 CE3 TRP A 421 4.938 -7.348 -6.879 1.00 22.43 C ATOM 1268 CZ2 TRP A 421 4.103 -7.065 -4.236 1.00 52.31 C ATOM 1269 CZ3 TRP A 421 3.843 -8.014 -6.416 1.00 63.41 C ATOM 1270 CH2 TRP A 421 3.431 -7.871 -5.107 1.00 1.22 C ATOM 0 HA TRP A 421 7.725 -4.422 -9.226 1.00 21.42 H new ATOM 0 HB2 TRP A 421 7.576 -6.473 -7.944 1.00 41.05 H new ATOM 0 HB3 TRP A 421 8.617 -5.331 -7.118 1.00 41.05 H new ATOM 0 HD1 TRP A 421 7.822 -4.442 -4.738 1.00 32.54 H new ATOM 0 HE1 TRP A 421 6.019 -5.264 -3.098 1.00 62.21 H new ATOM 0 HE3 TRP A 421 5.253 -7.462 -7.906 1.00 22.43 H new ATOM 0 HZ2 TRP A 421 3.779 -6.955 -3.212 1.00 52.31 H new ATOM 0 HZ3 TRP A 421 3.291 -8.661 -7.081 1.00 63.41 H new ATOM 0 HH2 TRP A 421 2.559 -8.408 -4.765 1.00 1.22 H new ATOM 1281 N VAL A 422 5.423 -5.640 -9.630 1.00 72.33 N ATOM 1282 CA VAL A 422 4.095 -5.946 -10.176 1.00 61.35 C ATOM 1283 C VAL A 422 3.776 -7.436 -10.025 1.00 22.35 C ATOM 1284 O VAL A 422 4.678 -8.274 -9.864 1.00 23.51 O ATOM 1285 CB VAL A 422 3.989 -5.566 -11.688 1.00 30.32 C ATOM 1286 CG1 VAL A 422 4.230 -4.087 -11.903 1.00 62.22 C ATOM 1287 CG2 VAL A 422 4.959 -6.381 -12.535 1.00 53.31 C ATOM 0 H VAL A 422 6.156 -6.276 -9.943 1.00 72.33 H new ATOM 0 HA VAL A 422 3.379 -5.351 -9.609 1.00 61.35 H new ATOM 0 HB VAL A 422 2.973 -5.800 -12.005 1.00 30.32 H new ATOM 0 HG11 VAL A 422 4.149 -3.856 -12.965 1.00 62.22 H new ATOM 0 HG12 VAL A 422 3.487 -3.513 -11.349 1.00 62.22 H new ATOM 0 HG13 VAL A 422 5.228 -3.826 -11.550 1.00 62.22 H new ATOM 0 HG21 VAL A 422 4.860 -6.092 -13.581 1.00 53.31 H new ATOM 0 HG22 VAL A 422 5.980 -6.193 -12.202 1.00 53.31 H new ATOM 0 HG23 VAL A 422 4.732 -7.442 -12.428 1.00 53.31 H new ATOM 1297 N ILE A 423 2.508 -7.765 -10.057 1.00 42.11 N ATOM 1298 CA ILE A 423 2.097 -9.147 -9.989 1.00 21.22 C ATOM 1299 C ILE A 423 2.049 -9.715 -11.380 1.00 52.32 C ATOM 1300 O ILE A 423 1.416 -9.135 -12.270 1.00 14.35 O ATOM 1301 CB ILE A 423 0.694 -9.324 -9.326 1.00 74.13 C ATOM 1302 CG1 ILE A 423 0.720 -8.807 -7.896 1.00 52.50 C ATOM 1303 CG2 ILE A 423 0.251 -10.796 -9.354 1.00 53.22 C ATOM 1304 CD1 ILE A 423 -0.605 -8.898 -7.171 1.00 21.33 C ATOM 0 H ILE A 423 1.742 -7.095 -10.130 1.00 42.11 H new ATOM 0 HA ILE A 423 2.825 -9.673 -9.371 1.00 21.22 H new ATOM 0 HB ILE A 423 -0.029 -8.743 -9.899 1.00 74.13 H new ATOM 0 HG12 ILE A 423 1.466 -9.368 -7.334 1.00 52.50 H new ATOM 0 HG13 ILE A 423 1.044 -7.766 -7.905 1.00 52.50 H new ATOM 0 HG21 ILE A 423 -0.729 -10.890 -8.886 1.00 53.22 H new ATOM 0 HG22 ILE A 423 0.194 -11.139 -10.387 1.00 53.22 H new ATOM 0 HG23 ILE A 423 0.973 -11.404 -8.809 1.00 53.22 H new ATOM 0 HD11 ILE A 423 -0.494 -8.508 -6.159 1.00 21.33 H new ATOM 0 HD12 ILE A 423 -1.353 -8.313 -7.706 1.00 21.33 H new ATOM 0 HD13 ILE A 423 -0.924 -9.939 -7.125 1.00 21.33 H new