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 390 SER OG : rot -75:sc= 1.53 USER MOD Set 1.2: A 394 LYS NZ :NH3+ 155:sc= 0.358 (180deg=0) USER MOD Single : A 342 ASN : amide:sc= -0.0172 X(o=-0.017,f=0.15) USER MOD Single : A 348 SER OG : rot 180:sc= 0 USER MOD Single : A 349 TYR OH : rot 30:sc= -0.105 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+ -165:sc= -0.0421 (180deg=-0.312) USER MOD Single : A 359 SER OG : rot 70:sc= 1.22 USER MOD Single : A 360 THR OG1 : rot -49:sc= 0.103 USER MOD Single : A 365 MET CE :methyl -141:sc= -0.483 (180deg=-0.731) USER MOD Single : A 368 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 371 TYR OH : rot 180:sc= 0 USER MOD Single : A 372 ASN : amide:sc= 1.01 K(o=1,f=-0.75) USER MOD Single : A 376 SER OG : rot 72:sc= 1.29 USER MOD Single : A 377 ASN : amide:sc= 0.923 K(o=0.92,f=0) USER MOD Single : A 380 TYR OH : rot 180:sc= 0 USER MOD Single : A 383 ASN : amide:sc= -2.01! C(o=-2!,f=-3.2!) USER MOD Single : A 385 THR OG1 : rot 180:sc= 0 USER MOD Single : A 386 SER OG : rot 180:sc= 0 USER MOD Single : A 387 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 389 GLN : amide:sc= -2.76! K(o=-2.8!,f=-0.091) USER MOD Single : A 395 ASN : amide:sc= -0.774 K(o=-0.77,f=-0.046) USER MOD Single : A 396 SER OG : rot 180:sc= 0 USER MOD Single : A 399 HIS : no HD1:sc= -0.818 K(o=-0.82,f=0.23) USER MOD Single : A 400 ASN : amide:sc= -0.013 K(o=-0.013,f=-0.94) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 342 -2.139 -15.255 10.586 1.00 71.04 N ATOM 2 CA ASN A 342 -1.533 -14.059 9.988 1.00 2.45 C ATOM 3 C ASN A 342 -1.601 -12.902 10.978 1.00 61.33 C ATOM 4 O ASN A 342 -2.470 -12.893 11.849 1.00 13.23 O ATOM 5 CB ASN A 342 -2.253 -13.683 8.684 1.00 54.35 C ATOM 6 CG ASN A 342 -2.179 -14.768 7.633 1.00 74.34 C ATOM 7 OD1 ASN A 342 -1.247 -14.808 6.838 1.00 40.43 O ATOM 8 ND2 ASN A 342 -3.160 -15.641 7.608 1.00 15.25 N ATOM 0 HA ASN A 342 -0.490 -14.272 9.754 1.00 2.45 H new ATOM 0 HB2 ASN A 342 -3.299 -13.467 8.902 1.00 54.35 H new ATOM 0 HB3 ASN A 342 -1.815 -12.768 8.285 1.00 54.35 H new ATOM 0 HD21 ASN A 342 -3.163 -16.385 6.910 1.00 15.25 H new ATOM 0 HD22 ASN A 342 -3.919 -15.575 8.287 1.00 15.25 H new ATOM 17 N PRO A 343 -0.689 -11.894 10.867 1.00 61.33 N ATOM 18 CA PRO A 343 -0.634 -10.752 11.814 1.00 40.02 C ATOM 19 C PRO A 343 -1.825 -9.780 11.701 1.00 43.23 C ATOM 20 O PRO A 343 -2.049 -8.965 12.584 1.00 43.53 O ATOM 21 CB PRO A 343 0.670 -10.036 11.427 1.00 11.32 C ATOM 22 CG PRO A 343 0.877 -10.380 9.992 1.00 71.02 C ATOM 23 CD PRO A 343 0.393 -11.798 9.844 1.00 51.13 C ATOM 0 HA PRO A 343 -0.675 -11.102 12.845 1.00 40.02 H new ATOM 0 HB2 PRO A 343 0.587 -8.958 11.568 1.00 11.32 H new ATOM 0 HB3 PRO A 343 1.505 -10.375 12.040 1.00 11.32 H new ATOM 0 HG2 PRO A 343 0.319 -9.705 9.342 1.00 71.02 H new ATOM 0 HG3 PRO A 343 1.928 -10.293 9.715 1.00 71.02 H new ATOM 0 HD2 PRO A 343 0.017 -11.993 8.840 1.00 51.13 H new ATOM 0 HD3 PRO A 343 1.190 -12.518 10.031 1.00 51.13 H new ATOM 31 N TRP A 344 -2.558 -9.865 10.623 1.00 20.23 N ATOM 32 CA TRP A 344 -3.690 -8.968 10.382 1.00 14.05 C ATOM 33 C TRP A 344 -5.045 -9.671 10.566 1.00 33.44 C ATOM 34 O TRP A 344 -6.043 -9.032 10.917 1.00 4.00 O ATOM 35 CB TRP A 344 -3.583 -8.387 8.964 1.00 42.33 C ATOM 36 CG TRP A 344 -3.366 -9.442 7.915 1.00 15.23 C ATOM 37 CD1 TRP A 344 -4.273 -10.344 7.453 1.00 21.23 C ATOM 38 CD2 TRP A 344 -2.166 -9.690 7.182 1.00 12.25 C ATOM 39 NE1 TRP A 344 -3.696 -11.150 6.541 1.00 53.23 N ATOM 40 CE2 TRP A 344 -2.419 -10.766 6.340 1.00 74.40 C ATOM 41 CE3 TRP A 344 -0.908 -9.121 7.161 1.00 0.14 C ATOM 42 CZ2 TRP A 344 -1.470 -11.278 5.494 1.00 42.04 C ATOM 43 CZ3 TRP A 344 0.035 -9.631 6.309 1.00 33.13 C ATOM 44 CH2 TRP A 344 -0.258 -10.699 5.490 1.00 35.42 C ATOM 0 H TRP A 344 -2.400 -10.549 9.883 1.00 20.23 H new ATOM 0 HA TRP A 344 -3.645 -8.168 11.121 1.00 14.05 H new ATOM 0 HB2 TRP A 344 -4.494 -7.834 8.733 1.00 42.33 H new ATOM 0 HB3 TRP A 344 -2.760 -7.673 8.930 1.00 42.33 H new ATOM 0 HD1 TRP A 344 -5.303 -10.405 7.770 1.00 21.23 H new ATOM 0 HE1 TRP A 344 -4.155 -11.932 6.074 1.00 53.23 H new ATOM 0 HE3 TRP A 344 -0.672 -8.288 7.806 1.00 0.14 H new ATOM 0 HZ2 TRP A 344 -1.689 -12.119 4.852 1.00 42.04 H new ATOM 0 HZ3 TRP A 344 1.021 -9.190 6.279 1.00 33.13 H new ATOM 0 HH2 TRP A 344 0.506 -11.080 4.828 1.00 35.42 H new ATOM 55 N GLY A 345 -5.077 -10.969 10.337 1.00 24.31 N ATOM 56 CA GLY A 345 -6.315 -11.700 10.388 1.00 32.04 C ATOM 57 C GLY A 345 -6.199 -13.027 9.677 1.00 34.20 C ATOM 58 O GLY A 345 -5.150 -13.669 9.745 1.00 22.11 O ATOM 0 H GLY A 345 -4.257 -11.534 10.114 1.00 24.31 H new ATOM 0 HA2 GLY A 345 -6.599 -11.866 11.427 1.00 32.04 H new ATOM 0 HA3 GLY A 345 -7.108 -11.108 9.931 1.00 32.04 H new ATOM 62 N ALA A 346 -7.245 -13.419 8.962 1.00 53.13 N ATOM 63 CA ALA A 346 -7.285 -14.728 8.303 1.00 1.12 C ATOM 64 C ALA A 346 -6.792 -14.685 6.859 1.00 75.13 C ATOM 65 O ALA A 346 -6.354 -15.707 6.323 1.00 53.23 O ATOM 66 CB ALA A 346 -8.684 -15.308 8.363 1.00 25.34 C ATOM 0 H ALA A 346 -8.081 -12.852 8.820 1.00 53.13 H new ATOM 0 HA ALA A 346 -6.598 -15.373 8.851 1.00 1.12 H new ATOM 0 HB1 ALA A 346 -8.696 -16.280 7.869 1.00 25.34 H new ATOM 0 HB2 ALA A 346 -8.985 -15.426 9.404 1.00 25.34 H new ATOM 0 HB3 ALA A 346 -9.378 -14.636 7.859 1.00 25.34 H new ATOM 72 N GLU A 347 -6.887 -13.517 6.229 1.00 60.30 N ATOM 73 CA GLU A 347 -6.425 -13.321 4.847 1.00 65.45 C ATOM 74 C GLU A 347 -4.964 -13.701 4.727 1.00 11.42 C ATOM 75 O GLU A 347 -4.219 -13.586 5.676 1.00 24.12 O ATOM 76 CB GLU A 347 -6.588 -11.854 4.391 1.00 3.01 C ATOM 77 CG GLU A 347 -8.010 -11.290 4.402 1.00 32.51 C ATOM 78 CD GLU A 347 -8.583 -11.086 5.793 1.00 73.42 C ATOM 79 OE1 GLU A 347 -8.414 -9.996 6.362 1.00 53.30 O ATOM 80 OE2 GLU A 347 -9.220 -12.008 6.327 1.00 14.30 O ATOM 0 H GLU A 347 -7.284 -12.680 6.655 1.00 60.30 H new ATOM 0 HA GLU A 347 -7.039 -13.958 4.210 1.00 65.45 H new ATOM 0 HB2 GLU A 347 -5.967 -11.227 5.031 1.00 3.01 H new ATOM 0 HB3 GLU A 347 -6.194 -11.766 3.379 1.00 3.01 H new ATOM 0 HG2 GLU A 347 -8.016 -10.336 3.875 1.00 32.51 H new ATOM 0 HG3 GLU A 347 -8.662 -11.965 3.847 1.00 32.51 H new ATOM 87 N SER A 348 -4.562 -14.138 3.585 1.00 41.41 N ATOM 88 CA SER A 348 -3.197 -14.529 3.389 1.00 11.44 C ATOM 89 C SER A 348 -2.384 -13.350 2.883 1.00 2.33 C ATOM 90 O SER A 348 -2.961 -12.365 2.389 1.00 42.51 O ATOM 91 CB SER A 348 -3.148 -15.669 2.407 1.00 62.34 C ATOM 92 OG SER A 348 -3.891 -16.780 2.885 1.00 60.32 O ATOM 0 H SER A 348 -5.158 -14.237 2.763 1.00 41.41 H new ATOM 0 HA SER A 348 -2.768 -14.855 4.336 1.00 11.44 H new ATOM 0 HB2 SER A 348 -3.548 -15.345 1.446 1.00 62.34 H new ATOM 0 HB3 SER A 348 -2.113 -15.964 2.238 1.00 62.34 H new ATOM 0 HG SER A 348 -3.847 -17.509 2.231 1.00 60.32 H new ATOM 98 N TYR A 349 -1.058 -13.442 3.020 1.00 53.32 N ATOM 99 CA TYR A 349 -0.147 -12.402 2.560 1.00 45.42 C ATOM 100 C TYR A 349 -0.402 -12.048 1.129 1.00 72.22 C ATOM 101 O TYR A 349 -0.832 -10.955 0.851 1.00 74.53 O ATOM 102 CB TYR A 349 1.338 -12.799 2.742 1.00 13.20 C ATOM 103 CG TYR A 349 1.847 -12.813 4.171 1.00 14.13 C ATOM 104 CD1 TYR A 349 1.496 -13.813 5.065 1.00 10.21 C ATOM 105 CD2 TYR A 349 2.685 -11.798 4.620 1.00 62.02 C ATOM 106 CE1 TYR A 349 1.966 -13.804 6.367 1.00 33.25 C ATOM 107 CE2 TYR A 349 3.155 -11.784 5.915 1.00 33.12 C ATOM 108 CZ TYR A 349 2.794 -12.788 6.786 1.00 41.23 C ATOM 109 OH TYR A 349 3.263 -12.772 8.086 1.00 12.04 O ATOM 0 H TYR A 349 -0.592 -14.239 3.452 1.00 53.32 H new ATOM 0 HA TYR A 349 -0.342 -11.529 3.183 1.00 45.42 H new ATOM 0 HB2 TYR A 349 1.484 -13.791 2.314 1.00 13.20 H new ATOM 0 HB3 TYR A 349 1.953 -12.109 2.164 1.00 13.20 H new ATOM 0 HD1 TYR A 349 0.846 -14.612 4.740 1.00 10.21 H new ATOM 0 HD2 TYR A 349 2.972 -11.008 3.942 1.00 62.02 H new ATOM 0 HE1 TYR A 349 1.684 -14.591 7.051 1.00 33.25 H new ATOM 0 HE2 TYR A 349 3.805 -10.988 6.246 1.00 33.12 H new ATOM 0 HH TYR A 349 3.342 -13.691 8.417 1.00 12.04 H new ATOM 119 N SER A 350 -0.181 -12.988 0.232 1.00 53.20 N ATOM 120 CA SER A 350 -0.327 -12.742 -1.187 1.00 44.13 C ATOM 121 C SER A 350 -1.745 -12.266 -1.548 1.00 73.11 C ATOM 122 O SER A 350 -1.922 -11.536 -2.519 1.00 15.31 O ATOM 123 CB SER A 350 0.090 -13.959 -1.985 1.00 45.52 C ATOM 124 OG SER A 350 1.402 -14.362 -1.610 1.00 35.24 O ATOM 0 H SER A 350 0.103 -13.939 0.465 1.00 53.20 H new ATOM 0 HA SER A 350 0.343 -11.925 -1.456 1.00 44.13 H new ATOM 0 HB2 SER A 350 -0.613 -14.775 -1.813 1.00 45.52 H new ATOM 0 HB3 SER A 350 0.061 -13.732 -3.051 1.00 45.52 H new ATOM 0 HG SER A 350 1.663 -15.151 -2.130 1.00 35.24 H new ATOM 130 N ASP A 351 -2.744 -12.678 -0.763 1.00 32.44 N ATOM 131 CA ASP A 351 -4.114 -12.193 -0.961 1.00 33.42 C ATOM 132 C ASP A 351 -4.219 -10.706 -0.667 1.00 61.32 C ATOM 133 O ASP A 351 -4.745 -9.942 -1.480 1.00 71.32 O ATOM 134 CB ASP A 351 -5.160 -12.992 -0.162 1.00 33.25 C ATOM 135 CG ASP A 351 -5.366 -14.388 -0.701 1.00 73.21 C ATOM 136 OD1 ASP A 351 -5.886 -14.535 -1.827 1.00 12.41 O ATOM 137 OD2 ASP A 351 -5.031 -15.362 0.000 1.00 63.43 O ATOM 0 H ASP A 351 -2.634 -13.338 0.007 1.00 32.44 H new ATOM 0 HA ASP A 351 -4.345 -12.353 -2.014 1.00 33.42 H new ATOM 0 HB2 ASP A 351 -4.846 -13.052 0.880 1.00 33.25 H new ATOM 0 HB3 ASP A 351 -6.110 -12.457 -0.179 1.00 33.25 H new ATOM 142 N LEU A 352 -3.710 -10.279 0.481 1.00 60.41 N ATOM 143 CA LEU A 352 -3.713 -8.876 0.817 1.00 72.33 C ATOM 144 C LEU A 352 -2.718 -8.075 0.010 1.00 12.14 C ATOM 145 O LEU A 352 -2.960 -6.914 -0.284 1.00 3.02 O ATOM 146 CB LEU A 352 -3.517 -8.626 2.282 1.00 51.10 C ATOM 147 CG LEU A 352 -4.660 -8.974 3.213 1.00 21.41 C ATOM 148 CD1 LEU A 352 -4.292 -8.538 4.589 1.00 70.04 C ATOM 149 CD2 LEU A 352 -5.948 -8.297 2.767 1.00 14.41 C ATOM 0 H LEU A 352 -3.294 -10.886 1.187 1.00 60.41 H new ATOM 0 HA LEU A 352 -4.711 -8.528 0.552 1.00 72.33 H new ATOM 0 HB2 LEU A 352 -2.639 -9.187 2.604 1.00 51.10 H new ATOM 0 HB3 LEU A 352 -3.286 -7.569 2.414 1.00 51.10 H new ATOM 0 HG LEU A 352 -4.833 -10.050 3.195 1.00 21.41 H new ATOM 0 HD11 LEU A 352 -5.103 -8.780 5.276 1.00 70.04 H new ATOM 0 HD12 LEU A 352 -3.384 -9.053 4.903 1.00 70.04 H new ATOM 0 HD13 LEU A 352 -4.119 -7.462 4.596 1.00 70.04 H new ATOM 0 HD21 LEU A 352 -6.754 -8.562 3.451 1.00 14.41 H new ATOM 0 HD22 LEU A 352 -5.811 -7.216 2.770 1.00 14.41 H new ATOM 0 HD23 LEU A 352 -6.203 -8.628 1.760 1.00 14.41 H new ATOM 161 N ILE A 353 -1.596 -8.676 -0.333 1.00 61.33 N ATOM 162 CA ILE A 353 -0.619 -8.013 -1.183 1.00 72.04 C ATOM 163 C ILE A 353 -1.266 -7.723 -2.534 1.00 61.33 C ATOM 164 O ILE A 353 -1.127 -6.634 -3.078 1.00 44.33 O ATOM 165 CB ILE A 353 0.656 -8.870 -1.377 1.00 51.15 C ATOM 166 CG1 ILE A 353 1.340 -9.125 -0.027 1.00 60.13 C ATOM 167 CG2 ILE A 353 1.614 -8.164 -2.315 1.00 14.03 C ATOM 168 CD1 ILE A 353 2.494 -10.104 -0.084 1.00 32.13 C ATOM 0 H ILE A 353 -1.336 -9.618 -0.040 1.00 61.33 H new ATOM 0 HA ILE A 353 -0.311 -7.086 -0.700 1.00 72.04 H new ATOM 0 HB ILE A 353 0.370 -9.828 -1.810 1.00 51.15 H new ATOM 0 HG12 ILE A 353 1.704 -8.176 0.367 1.00 60.13 H new ATOM 0 HG13 ILE A 353 0.597 -9.499 0.678 1.00 60.13 H new ATOM 0 HG21 ILE A 353 2.509 -8.772 -2.447 1.00 14.03 H new ATOM 0 HG22 ILE A 353 1.132 -8.013 -3.281 1.00 14.03 H new ATOM 0 HG23 ILE A 353 1.891 -7.198 -1.893 1.00 14.03 H new ATOM 0 HD11 ILE A 353 2.918 -10.225 0.913 1.00 32.13 H new ATOM 0 HD12 ILE A 353 2.136 -11.068 -0.445 1.00 32.13 H new ATOM 0 HD13 ILE A 353 3.260 -9.725 -0.761 1.00 32.13 H new ATOM 180 N ALA A 354 -2.006 -8.700 -3.048 1.00 62.41 N ATOM 181 CA ALA A 354 -2.752 -8.519 -4.281 1.00 71.22 C ATOM 182 C ALA A 354 -3.821 -7.459 -4.098 1.00 43.52 C ATOM 183 O ALA A 354 -4.146 -6.756 -5.023 1.00 54.44 O ATOM 184 CB ALA A 354 -3.373 -9.827 -4.753 1.00 74.14 C ATOM 0 H ALA A 354 -2.103 -9.624 -2.627 1.00 62.41 H new ATOM 0 HA ALA A 354 -2.054 -8.187 -5.050 1.00 71.22 H new ATOM 0 HB1 ALA A 354 -3.924 -9.655 -5.678 1.00 74.14 H new ATOM 0 HB2 ALA A 354 -2.586 -10.560 -4.930 1.00 74.14 H new ATOM 0 HB3 ALA A 354 -4.054 -10.203 -3.989 1.00 74.14 H new ATOM 190 N LYS A 355 -4.354 -7.350 -2.884 1.00 72.53 N ATOM 191 CA LYS A 355 -5.337 -6.340 -2.564 1.00 53.23 C ATOM 192 C LYS A 355 -4.679 -4.939 -2.554 1.00 63.23 C ATOM 193 O LYS A 355 -5.273 -3.957 -3.017 1.00 41.54 O ATOM 194 CB LYS A 355 -6.034 -6.661 -1.225 1.00 12.14 C ATOM 195 CG LYS A 355 -7.066 -5.635 -0.815 1.00 5.11 C ATOM 196 CD LYS A 355 -7.766 -5.977 0.495 1.00 11.03 C ATOM 197 CE LYS A 355 -8.618 -7.220 0.370 1.00 44.01 C ATOM 198 NZ LYS A 355 -9.363 -7.510 1.621 1.00 11.11 N ATOM 0 H LYS A 355 -4.113 -7.960 -2.103 1.00 72.53 H new ATOM 0 HA LYS A 355 -6.108 -6.338 -3.334 1.00 53.23 H new ATOM 0 HB2 LYS A 355 -6.515 -7.636 -1.301 1.00 12.14 H new ATOM 0 HB3 LYS A 355 -5.279 -6.737 -0.442 1.00 12.14 H new ATOM 0 HG2 LYS A 355 -6.583 -4.662 -0.718 1.00 5.11 H new ATOM 0 HG3 LYS A 355 -7.812 -5.544 -1.605 1.00 5.11 H new ATOM 0 HD2 LYS A 355 -7.021 -6.124 1.277 1.00 11.03 H new ATOM 0 HD3 LYS A 355 -8.390 -5.138 0.803 1.00 11.03 H new ATOM 0 HE2 LYS A 355 -9.323 -7.095 -0.452 1.00 44.01 H new ATOM 0 HE3 LYS A 355 -7.984 -8.071 0.120 1.00 44.01 H new ATOM 0 HZ1 LYS A 355 -9.935 -8.369 1.493 1.00 11.11 H new ATOM 0 HZ2 LYS A 355 -8.690 -7.654 2.400 1.00 11.11 H new ATOM 0 HZ3 LYS A 355 -9.987 -6.709 1.847 1.00 11.11 H new ATOM 212 N ALA A 356 -3.449 -4.860 -2.047 1.00 20.41 N ATOM 213 CA ALA A 356 -2.683 -3.613 -2.088 1.00 34.11 C ATOM 214 C ALA A 356 -2.433 -3.240 -3.538 1.00 3.51 C ATOM 215 O ALA A 356 -2.613 -2.092 -3.939 1.00 63.42 O ATOM 216 CB ALA A 356 -1.363 -3.737 -1.322 1.00 34.31 C ATOM 0 H ALA A 356 -2.963 -5.640 -1.605 1.00 20.41 H new ATOM 0 HA ALA A 356 -3.259 -2.827 -1.600 1.00 34.11 H new ATOM 0 HB1 ALA A 356 -0.822 -2.792 -1.374 1.00 34.31 H new ATOM 0 HB2 ALA A 356 -1.569 -3.980 -0.280 1.00 34.31 H new ATOM 0 HB3 ALA A 356 -0.757 -4.527 -1.766 1.00 34.31 H new ATOM 222 N LEU A 357 -2.048 -4.235 -4.321 1.00 43.21 N ATOM 223 CA LEU A 357 -1.876 -4.082 -5.759 1.00 43.31 C ATOM 224 C LEU A 357 -3.162 -3.625 -6.419 1.00 64.13 C ATOM 225 O LEU A 357 -3.158 -2.687 -7.166 1.00 34.12 O ATOM 226 CB LEU A 357 -1.362 -5.389 -6.407 1.00 32.33 C ATOM 227 CG LEU A 357 0.163 -5.572 -6.515 1.00 20.14 C ATOM 228 CD1 LEU A 357 0.714 -4.626 -7.563 1.00 33.20 C ATOM 229 CD2 LEU A 357 0.847 -5.323 -5.180 1.00 22.24 C ATOM 0 H LEU A 357 -1.845 -5.174 -3.978 1.00 43.21 H new ATOM 0 HA LEU A 357 -1.122 -3.311 -5.917 1.00 43.31 H new ATOM 0 HB2 LEU A 357 -1.763 -6.228 -5.838 1.00 32.33 H new ATOM 0 HB3 LEU A 357 -1.782 -5.455 -7.411 1.00 32.33 H new ATOM 0 HG LEU A 357 0.364 -6.603 -6.807 1.00 20.14 H new ATOM 0 HD11 LEU A 357 1.794 -4.756 -7.639 1.00 33.20 H new ATOM 0 HD12 LEU A 357 0.254 -4.843 -8.527 1.00 33.20 H new ATOM 0 HD13 LEU A 357 0.492 -3.598 -7.278 1.00 33.20 H new ATOM 0 HD21 LEU A 357 1.923 -5.460 -5.291 1.00 22.24 H new ATOM 0 HD22 LEU A 357 0.643 -4.304 -4.851 1.00 22.24 H new ATOM 0 HD23 LEU A 357 0.466 -6.026 -4.439 1.00 22.24 H new ATOM 241 N LYS A 358 -4.264 -4.266 -6.057 1.00 2.42 N ATOM 242 CA LYS A 358 -5.570 -4.036 -6.573 1.00 41.53 C ATOM 243 C LYS A 358 -6.025 -2.581 -6.387 1.00 72.12 C ATOM 244 O LYS A 358 -6.825 -2.063 -7.165 1.00 33.25 O ATOM 245 CB LYS A 358 -6.475 -4.999 -5.824 1.00 22.15 C ATOM 246 CG LYS A 358 -7.905 -4.734 -5.922 1.00 72.33 C ATOM 247 CD LYS A 358 -8.679 -5.727 -5.078 1.00 14.42 C ATOM 248 CE LYS A 358 -10.155 -5.420 -5.063 1.00 71.25 C ATOM 249 NZ LYS A 358 -10.453 -4.100 -4.465 1.00 13.12 N ATOM 0 H LYS A 358 -4.249 -5.002 -5.351 1.00 2.42 H new ATOM 0 HA LYS A 358 -5.598 -4.203 -7.650 1.00 41.53 H new ATOM 0 HB2 LYS A 358 -6.286 -6.007 -6.193 1.00 22.15 H new ATOM 0 HB3 LYS A 358 -6.194 -4.987 -4.771 1.00 22.15 H new ATOM 0 HG2 LYS A 358 -8.118 -3.718 -5.589 1.00 72.33 H new ATOM 0 HG3 LYS A 358 -8.225 -4.802 -6.962 1.00 72.33 H new ATOM 0 HD2 LYS A 358 -8.521 -6.734 -5.465 1.00 14.42 H new ATOM 0 HD3 LYS A 358 -8.295 -5.714 -4.058 1.00 14.42 H new ATOM 0 HE2 LYS A 358 -10.539 -5.448 -6.083 1.00 71.25 H new ATOM 0 HE3 LYS A 358 -10.678 -6.195 -4.503 1.00 71.25 H new ATOM 0 HZ1 LYS A 358 -11.468 -4.040 -4.244 1.00 13.12 H new ATOM 0 HZ2 LYS A 358 -9.901 -3.982 -3.591 1.00 13.12 H new ATOM 0 HZ3 LYS A 358 -10.200 -3.349 -5.138 1.00 13.12 H new ATOM 263 N SER A 359 -5.483 -1.929 -5.391 1.00 5.00 N ATOM 264 CA SER A 359 -5.833 -0.585 -5.061 1.00 60.51 C ATOM 265 C SER A 359 -5.228 0.452 -6.063 1.00 11.23 C ATOM 266 O SER A 359 -5.551 1.636 -6.005 1.00 75.44 O ATOM 267 CB SER A 359 -5.369 -0.328 -3.642 1.00 41.51 C ATOM 268 OG SER A 359 -5.936 -1.297 -2.749 1.00 12.22 O ATOM 0 H SER A 359 -4.773 -2.331 -4.779 1.00 5.00 H new ATOM 0 HA SER A 359 -6.913 -0.460 -5.136 1.00 60.51 H new ATOM 0 HB2 SER A 359 -4.281 -0.373 -3.594 1.00 41.51 H new ATOM 0 HB3 SER A 359 -5.661 0.676 -3.333 1.00 41.51 H new ATOM 0 HG SER A 359 -5.530 -2.173 -2.916 1.00 12.22 H new ATOM 274 N THR A 360 -4.365 -0.007 -6.962 1.00 41.32 N ATOM 275 CA THR A 360 -3.747 0.855 -7.971 1.00 13.11 C ATOM 276 C THR A 360 -3.169 -0.084 -9.058 1.00 72.54 C ATOM 277 O THR A 360 -2.154 0.190 -9.711 1.00 31.13 O ATOM 278 CB THR A 360 -2.613 1.720 -7.309 1.00 23.34 C ATOM 279 OG1 THR A 360 -2.117 2.728 -8.221 1.00 34.11 O ATOM 280 CG2 THR A 360 -1.463 0.841 -6.861 1.00 30.41 C ATOM 0 H THR A 360 -4.073 -0.983 -7.015 1.00 41.32 H new ATOM 0 HA THR A 360 -4.467 1.546 -8.408 1.00 13.11 H new ATOM 0 HB THR A 360 -3.049 2.217 -6.443 1.00 23.34 H new ATOM 0 HG1 THR A 360 -1.906 2.313 -9.084 1.00 34.11 H new ATOM 0 HG21 THR A 360 -0.689 1.459 -6.406 1.00 30.41 H new ATOM 0 HG22 THR A 360 -1.823 0.114 -6.132 1.00 30.41 H new ATOM 0 HG23 THR A 360 -1.049 0.317 -7.722 1.00 30.41 H new ATOM 288 N PHE A 361 -3.924 -1.141 -9.298 1.00 12.20 N ATOM 289 CA PHE A 361 -3.510 -2.304 -10.094 1.00 61.15 C ATOM 290 C PHE A 361 -3.210 -1.937 -11.528 1.00 71.45 C ATOM 291 O PHE A 361 -2.469 -2.631 -12.220 1.00 52.35 O ATOM 292 CB PHE A 361 -4.635 -3.331 -10.049 1.00 3.44 C ATOM 293 CG PHE A 361 -4.226 -4.740 -10.368 1.00 45.23 C ATOM 294 CD1 PHE A 361 -3.727 -5.550 -9.363 1.00 52.11 C ATOM 295 CD2 PHE A 361 -4.358 -5.261 -11.639 1.00 1.22 C ATOM 296 CE1 PHE A 361 -3.366 -6.848 -9.610 1.00 13.22 C ATOM 297 CE2 PHE A 361 -3.993 -6.567 -11.901 1.00 54.02 C ATOM 298 CZ PHE A 361 -3.495 -7.364 -10.882 1.00 15.20 C ATOM 0 H PHE A 361 -4.874 -1.225 -8.937 1.00 12.20 H new ATOM 0 HA PHE A 361 -2.590 -2.708 -9.671 1.00 61.15 H new ATOM 0 HB2 PHE A 361 -5.081 -3.315 -9.054 1.00 3.44 H new ATOM 0 HB3 PHE A 361 -5.411 -3.027 -10.751 1.00 3.44 H new ATOM 0 HD1 PHE A 361 -3.620 -5.151 -8.365 1.00 52.11 H new ATOM 0 HD2 PHE A 361 -4.749 -4.643 -12.434 1.00 1.22 H new ATOM 0 HE1 PHE A 361 -2.982 -7.465 -8.811 1.00 13.22 H new ATOM 0 HE2 PHE A 361 -4.095 -6.967 -12.899 1.00 54.02 H new ATOM 0 HZ PHE A 361 -3.209 -8.386 -11.084 1.00 15.20 H new ATOM 308 N ASP A 362 -3.748 -0.834 -11.955 1.00 33.01 N ATOM 309 CA ASP A 362 -3.596 -0.403 -13.330 1.00 33.03 C ATOM 310 C ASP A 362 -2.333 0.408 -13.505 1.00 11.31 C ATOM 311 O ASP A 362 -1.975 0.790 -14.616 1.00 54.21 O ATOM 312 CB ASP A 362 -4.823 0.369 -13.817 1.00 10.44 C ATOM 313 CG ASP A 362 -6.078 -0.479 -13.812 1.00 35.02 C ATOM 314 OD1 ASP A 362 -6.299 -1.256 -14.770 1.00 4.04 O ATOM 315 OD2 ASP A 362 -6.870 -0.387 -12.850 1.00 11.42 O ATOM 0 H ASP A 362 -4.302 -0.206 -11.373 1.00 33.01 H new ATOM 0 HA ASP A 362 -3.510 -1.297 -13.948 1.00 33.03 H new ATOM 0 HB2 ASP A 362 -4.975 1.242 -13.182 1.00 10.44 H new ATOM 0 HB3 ASP A 362 -4.640 0.737 -14.827 1.00 10.44 H new ATOM 320 N GLY A 363 -1.662 0.664 -12.409 1.00 51.45 N ATOM 321 CA GLY A 363 -0.421 1.351 -12.447 1.00 53.35 C ATOM 322 C GLY A 363 0.683 0.442 -11.992 1.00 4.04 C ATOM 323 O GLY A 363 1.070 -0.493 -12.712 1.00 34.35 O ATOM 0 H GLY A 363 -1.971 0.397 -11.474 1.00 51.45 H new ATOM 0 HA2 GLY A 363 -0.221 1.701 -13.460 1.00 53.35 H new ATOM 0 HA3 GLY A 363 -0.464 2.233 -11.807 1.00 53.35 H new ATOM 327 N ARG A 364 1.181 0.691 -10.811 1.00 4.53 N ATOM 328 CA ARG A 364 2.249 -0.094 -10.222 1.00 12.45 C ATOM 329 C ARG A 364 2.241 0.094 -8.711 1.00 50.42 C ATOM 330 O ARG A 364 1.746 1.107 -8.213 1.00 11.25 O ATOM 331 CB ARG A 364 3.584 0.399 -10.785 1.00 32.13 C ATOM 332 CG ARG A 364 3.805 1.881 -10.536 1.00 72.12 C ATOM 333 CD ARG A 364 5.050 2.405 -11.192 1.00 71.14 C ATOM 334 NE ARG A 364 5.026 2.233 -12.650 1.00 21.24 N ATOM 335 CZ ARG A 364 5.775 2.920 -13.523 1.00 73.41 C ATOM 336 NH1 ARG A 364 6.595 3.877 -13.101 1.00 22.54 N ATOM 337 NH2 ARG A 364 5.679 2.653 -14.819 1.00 61.54 N ATOM 0 H ARG A 364 0.856 1.454 -10.217 1.00 4.53 H new ATOM 0 HA ARG A 364 2.109 -1.149 -10.456 1.00 12.45 H new ATOM 0 HB2 ARG A 364 4.398 -0.168 -10.333 1.00 32.13 H new ATOM 0 HB3 ARG A 364 3.617 0.204 -11.857 1.00 32.13 H new ATOM 0 HG2 ARG A 364 2.944 2.438 -10.905 1.00 72.12 H new ATOM 0 HG3 ARG A 364 3.864 2.059 -9.462 1.00 72.12 H new ATOM 0 HD2 ARG A 364 5.165 3.463 -10.955 1.00 71.14 H new ATOM 0 HD3 ARG A 364 5.919 1.890 -10.782 1.00 71.14 H new ATOM 0 HE ARG A 364 4.387 1.534 -13.029 1.00 21.24 H new ATOM 0 HH11 ARG A 364 6.657 4.093 -12.106 1.00 22.54 H new ATOM 0 HH12 ARG A 364 7.162 4.395 -13.772 1.00 22.54 H new ATOM 0 HH21 ARG A 364 5.038 1.929 -15.144 1.00 61.54 H new ATOM 0 HH22 ARG A 364 6.246 3.172 -15.490 1.00 61.54 H new ATOM 351 N MET A 365 2.750 -0.863 -7.993 1.00 3.54 N ATOM 352 CA MET A 365 2.894 -0.724 -6.563 1.00 42.34 C ATOM 353 C MET A 365 4.313 -0.715 -6.176 1.00 1.25 C ATOM 354 O MET A 365 5.109 -1.533 -6.651 1.00 1.01 O ATOM 355 CB MET A 365 2.155 -1.793 -5.772 1.00 5.21 C ATOM 356 CG MET A 365 0.848 -1.324 -5.172 1.00 62.24 C ATOM 357 SD MET A 365 1.127 0.007 -3.982 1.00 10.33 S ATOM 358 CE MET A 365 -0.525 0.316 -3.369 1.00 53.51 C ATOM 0 H MET A 365 3.075 -1.753 -8.370 1.00 3.54 H new ATOM 0 HA MET A 365 2.436 0.233 -6.313 1.00 42.34 H new ATOM 0 HB2 MET A 365 1.958 -2.643 -6.426 1.00 5.21 H new ATOM 0 HB3 MET A 365 2.803 -2.150 -4.971 1.00 5.21 H new ATOM 0 HG2 MET A 365 0.184 -0.977 -5.963 1.00 62.24 H new ATOM 0 HG3 MET A 365 0.349 -2.159 -4.680 1.00 62.24 H new ATOM 0 HE1 MET A 365 -0.668 1.388 -3.233 1.00 53.51 H new ATOM 0 HE2 MET A 365 -1.255 -0.059 -4.086 1.00 53.51 H new ATOM 0 HE3 MET A 365 -0.660 -0.192 -2.414 1.00 53.51 H new ATOM 368 N ARG A 366 4.657 0.204 -5.340 1.00 14.33 N ATOM 369 CA ARG A 366 5.976 0.244 -4.839 1.00 50.01 C ATOM 370 C ARG A 366 6.056 -0.687 -3.697 1.00 42.22 C ATOM 371 O ARG A 366 5.083 -0.842 -2.960 1.00 2.20 O ATOM 372 CB ARG A 366 6.379 1.615 -4.379 1.00 43.04 C ATOM 373 CG ARG A 366 6.318 2.632 -5.462 1.00 42.52 C ATOM 374 CD ARG A 366 7.072 3.871 -5.076 1.00 44.54 C ATOM 375 NE ARG A 366 6.519 4.533 -3.891 1.00 12.24 N ATOM 376 CZ ARG A 366 7.235 5.229 -2.980 1.00 2.22 C ATOM 377 NH1 ARG A 366 8.551 5.425 -3.148 1.00 0.35 N ATOM 378 NH2 ARG A 366 6.630 5.731 -1.906 1.00 11.40 N ATOM 0 H ARG A 366 4.038 0.936 -4.992 1.00 14.33 H new ATOM 0 HA ARG A 366 6.655 -0.038 -5.644 1.00 50.01 H new ATOM 0 HB2 ARG A 366 5.728 1.924 -3.561 1.00 43.04 H new ATOM 0 HB3 ARG A 366 7.393 1.576 -3.982 1.00 43.04 H new ATOM 0 HG2 ARG A 366 6.736 2.218 -6.379 1.00 42.52 H new ATOM 0 HG3 ARG A 366 5.278 2.884 -5.671 1.00 42.52 H new ATOM 0 HD2 ARG A 366 8.114 3.612 -4.887 1.00 44.54 H new ATOM 0 HD3 ARG A 366 7.064 4.570 -5.913 1.00 44.54 H new ATOM 0 HE ARG A 366 5.512 4.463 -3.742 1.00 12.24 H new ATOM 0 HH11 ARG A 366 9.022 5.047 -3.970 1.00 0.35 H new ATOM 0 HH12 ARG A 366 9.081 5.952 -2.454 1.00 0.35 H new ATOM 0 HH21 ARG A 366 5.629 5.590 -1.772 1.00 11.40 H new ATOM 0 HH22 ARG A 366 7.168 6.257 -1.217 1.00 11.40 H new ATOM 392 N LEU A 367 7.176 -1.298 -3.531 1.00 70.54 N ATOM 393 CA LEU A 367 7.380 -2.220 -2.451 1.00 60.42 C ATOM 394 C LEU A 367 7.179 -1.502 -1.096 1.00 70.22 C ATOM 395 O LEU A 367 6.633 -2.074 -0.160 1.00 50.54 O ATOM 396 CB LEU A 367 8.745 -2.894 -2.650 1.00 5.41 C ATOM 397 CG LEU A 367 9.219 -3.961 -1.661 1.00 64.21 C ATOM 398 CD1 LEU A 367 8.086 -4.885 -1.247 1.00 0.20 C ATOM 399 CD2 LEU A 367 10.290 -4.788 -2.365 1.00 43.41 C ATOM 0 H LEU A 367 7.986 -1.177 -4.140 1.00 70.54 H new ATOM 0 HA LEU A 367 6.640 -3.021 -2.443 1.00 60.42 H new ATOM 0 HB2 LEU A 367 8.742 -3.348 -3.641 1.00 5.41 H new ATOM 0 HB3 LEU A 367 9.498 -2.106 -2.663 1.00 5.41 H new ATOM 0 HG LEU A 367 9.599 -3.474 -0.763 1.00 64.21 H new ATOM 0 HD11 LEU A 367 8.462 -5.629 -0.544 1.00 0.20 H new ATOM 0 HD12 LEU A 367 7.297 -4.303 -0.771 1.00 0.20 H new ATOM 0 HD13 LEU A 367 7.686 -5.387 -2.128 1.00 0.20 H new ATOM 0 HD21 LEU A 367 10.654 -5.562 -1.690 1.00 43.41 H new ATOM 0 HD22 LEU A 367 9.865 -5.253 -3.254 1.00 43.41 H new ATOM 0 HD23 LEU A 367 11.118 -4.141 -2.655 1.00 43.41 H new ATOM 411 N ASN A 368 7.548 -0.219 -1.049 1.00 34.43 N ATOM 412 CA ASN A 368 7.292 0.637 0.124 1.00 13.01 C ATOM 413 C ASN A 368 5.803 0.901 0.285 1.00 2.21 C ATOM 414 O ASN A 368 5.284 0.899 1.398 1.00 42.41 O ATOM 415 CB ASN A 368 8.009 1.990 0.001 1.00 63.24 C ATOM 416 CG ASN A 368 9.510 1.885 -0.004 1.00 22.44 C ATOM 417 OD1 ASN A 368 10.130 1.757 -1.055 1.00 23.01 O ATOM 418 ND2 ASN A 368 10.101 1.954 1.157 1.00 74.41 N ATOM 0 H ASN A 368 8.028 0.257 -1.813 1.00 34.43 H new ATOM 0 HA ASN A 368 7.675 0.102 0.993 1.00 13.01 H new ATOM 0 HB2 ASN A 368 7.686 2.480 -0.918 1.00 63.24 H new ATOM 0 HB3 ASN A 368 7.702 2.630 0.828 1.00 63.24 H new ATOM 0 HD21 ASN A 368 11.118 1.901 1.216 1.00 74.41 H new ATOM 0 HD22 ASN A 368 9.546 2.061 2.006 1.00 74.41 H new ATOM 425 N GLU A 369 5.115 1.109 -0.837 1.00 43.43 N ATOM 426 CA GLU A 369 3.686 1.417 -0.830 1.00 23.54 C ATOM 427 C GLU A 369 2.854 0.271 -0.324 1.00 71.31 C ATOM 428 O GLU A 369 1.826 0.486 0.266 1.00 60.33 O ATOM 429 CB GLU A 369 3.190 1.878 -2.185 1.00 10.21 C ATOM 430 CG GLU A 369 3.696 3.233 -2.603 1.00 22.24 C ATOM 431 CD GLU A 369 3.279 4.311 -1.651 1.00 52.43 C ATOM 432 OE1 GLU A 369 2.105 4.697 -1.655 1.00 44.13 O ATOM 433 OE2 GLU A 369 4.125 4.786 -0.881 1.00 20.21 O ATOM 0 H GLU A 369 5.528 1.069 -1.769 1.00 43.43 H new ATOM 0 HA GLU A 369 3.566 2.246 -0.132 1.00 23.54 H new ATOM 0 HB2 GLU A 369 3.486 1.145 -2.936 1.00 10.21 H new ATOM 0 HB3 GLU A 369 2.100 1.898 -2.172 1.00 10.21 H new ATOM 0 HG2 GLU A 369 4.784 3.209 -2.668 1.00 22.24 H new ATOM 0 HG3 GLU A 369 3.323 3.467 -3.600 1.00 22.24 H new ATOM 440 N ILE A 370 3.301 -0.939 -0.566 1.00 21.14 N ATOM 441 CA ILE A 370 2.630 -2.121 -0.037 1.00 20.52 C ATOM 442 C ILE A 370 2.638 -2.064 1.477 1.00 35.53 C ATOM 443 O ILE A 370 1.611 -2.251 2.129 1.00 14.24 O ATOM 444 CB ILE A 370 3.335 -3.400 -0.518 1.00 70.41 C ATOM 445 CG1 ILE A 370 3.248 -3.471 -2.030 1.00 34.25 C ATOM 446 CG2 ILE A 370 2.744 -4.665 0.131 1.00 5.14 C ATOM 447 CD1 ILE A 370 3.956 -4.640 -2.602 1.00 74.33 C ATOM 0 H ILE A 370 4.129 -1.139 -1.127 1.00 21.14 H new ATOM 0 HA ILE A 370 1.601 -2.139 -0.397 1.00 20.52 H new ATOM 0 HB ILE A 370 4.380 -3.357 -0.212 1.00 70.41 H new ATOM 0 HG12 ILE A 370 2.200 -3.509 -2.326 1.00 34.25 H new ATOM 0 HG13 ILE A 370 3.666 -2.558 -2.455 1.00 34.25 H new ATOM 0 HG21 ILE A 370 3.272 -5.544 -0.238 1.00 5.14 H new ATOM 0 HG22 ILE A 370 2.854 -4.604 1.214 1.00 5.14 H new ATOM 0 HG23 ILE A 370 1.687 -4.744 -0.123 1.00 5.14 H new ATOM 0 HD11 ILE A 370 3.855 -4.631 -3.687 1.00 74.33 H new ATOM 0 HD12 ILE A 370 5.012 -4.592 -2.336 1.00 74.33 H new ATOM 0 HD13 ILE A 370 3.523 -5.558 -2.205 1.00 74.33 H new ATOM 459 N TYR A 371 3.797 -1.755 2.024 1.00 52.40 N ATOM 460 CA TYR A 371 3.952 -1.612 3.455 1.00 71.11 C ATOM 461 C TYR A 371 3.085 -0.457 3.961 1.00 21.44 C ATOM 462 O TYR A 371 2.455 -0.543 5.017 1.00 1.41 O ATOM 463 CB TYR A 371 5.422 -1.382 3.811 1.00 31.50 C ATOM 464 CG TYR A 371 6.364 -2.494 3.376 1.00 1.51 C ATOM 465 CD1 TYR A 371 6.066 -3.830 3.617 1.00 42.12 C ATOM 466 CD2 TYR A 371 7.548 -2.203 2.721 1.00 61.11 C ATOM 467 CE1 TYR A 371 6.924 -4.829 3.220 1.00 20.43 C ATOM 468 CE2 TYR A 371 8.408 -3.201 2.321 1.00 40.30 C ATOM 469 CZ TYR A 371 8.094 -4.509 2.574 1.00 61.03 C ATOM 470 OH TYR A 371 8.954 -5.508 2.180 1.00 64.15 O ATOM 0 H TYR A 371 4.652 -1.597 1.491 1.00 52.40 H new ATOM 0 HA TYR A 371 3.625 -2.531 3.941 1.00 71.11 H new ATOM 0 HB2 TYR A 371 5.750 -0.448 3.355 1.00 31.50 H new ATOM 0 HB3 TYR A 371 5.505 -1.256 4.891 1.00 31.50 H new ATOM 0 HD1 TYR A 371 5.147 -4.087 4.123 1.00 42.12 H new ATOM 0 HD2 TYR A 371 7.802 -1.173 2.520 1.00 61.11 H new ATOM 0 HE1 TYR A 371 6.679 -5.862 3.415 1.00 20.43 H new ATOM 0 HE2 TYR A 371 9.326 -2.953 1.810 1.00 40.30 H new ATOM 0 HH TYR A 371 9.733 -5.113 1.737 1.00 64.15 H new ATOM 480 N ASN A 372 3.037 0.597 3.177 1.00 13.21 N ATOM 481 CA ASN A 372 2.221 1.770 3.484 1.00 15.53 C ATOM 482 C ASN A 372 0.734 1.441 3.406 1.00 41.42 C ATOM 483 O ASN A 372 -0.063 1.971 4.177 1.00 64.04 O ATOM 484 CB ASN A 372 2.559 2.962 2.558 1.00 11.21 C ATOM 485 CG ASN A 372 3.965 3.515 2.767 1.00 23.21 C ATOM 486 OD1 ASN A 372 4.515 3.454 3.866 1.00 22.33 O ATOM 487 ND2 ASN A 372 4.560 4.068 1.727 1.00 74.15 N ATOM 0 H ASN A 372 3.561 0.673 2.305 1.00 13.21 H new ATOM 0 HA ASN A 372 2.457 2.065 4.507 1.00 15.53 H new ATOM 0 HB2 ASN A 372 2.451 2.647 1.520 1.00 11.21 H new ATOM 0 HB3 ASN A 372 1.835 3.759 2.726 1.00 11.21 H new ATOM 0 HD21 ASN A 372 5.498 4.458 1.824 1.00 74.15 H new ATOM 0 HD22 ASN A 372 4.082 4.106 0.827 1.00 74.15 H new ATOM 494 N TRP A 373 0.369 0.565 2.478 1.00 14.02 N ATOM 495 CA TRP A 373 -1.000 0.131 2.306 1.00 13.40 C ATOM 496 C TRP A 373 -1.468 -0.581 3.554 1.00 34.44 C ATOM 497 O TRP A 373 -2.520 -0.249 4.105 1.00 60.25 O ATOM 498 CB TRP A 373 -1.136 -0.794 1.089 1.00 41.44 C ATOM 499 CG TRP A 373 -2.552 -1.225 0.810 1.00 1.11 C ATOM 500 CD1 TRP A 373 -3.435 -0.627 -0.038 1.00 72.34 C ATOM 501 CD2 TRP A 373 -3.246 -2.347 1.384 1.00 33.11 C ATOM 502 NE1 TRP A 373 -4.630 -1.304 -0.027 1.00 52.40 N ATOM 503 CE2 TRP A 373 -4.538 -2.364 0.835 1.00 75.12 C ATOM 504 CE3 TRP A 373 -2.893 -3.337 2.308 1.00 21.00 C ATOM 505 CZ2 TRP A 373 -5.477 -3.327 1.178 1.00 75.23 C ATOM 506 CZ3 TRP A 373 -3.828 -4.293 2.645 1.00 3.15 C ATOM 507 CH2 TRP A 373 -5.105 -4.281 2.078 1.00 34.21 C ATOM 0 H TRP A 373 1.023 0.137 1.823 1.00 14.02 H new ATOM 0 HA TRP A 373 -1.622 1.009 2.134 1.00 13.40 H new ATOM 0 HB2 TRP A 373 -0.741 -0.284 0.210 1.00 41.44 H new ATOM 0 HB3 TRP A 373 -0.521 -1.680 1.247 1.00 41.44 H new ATOM 0 HD1 TRP A 373 -3.226 0.251 -0.632 1.00 72.34 H new ATOM 0 HE1 TRP A 373 -5.455 -1.057 -0.574 1.00 52.40 H new ATOM 0 HE3 TRP A 373 -1.907 -3.352 2.749 1.00 21.00 H new ATOM 0 HZ2 TRP A 373 -6.467 -3.321 0.747 1.00 75.23 H new ATOM 0 HZ3 TRP A 373 -3.569 -5.062 3.358 1.00 3.15 H new ATOM 0 HH2 TRP A 373 -5.814 -5.046 2.359 1.00 34.21 H new ATOM 518 N PHE A 374 -0.681 -1.554 4.008 1.00 54.01 N ATOM 519 CA PHE A 374 -1.015 -2.306 5.215 1.00 70.14 C ATOM 520 C PHE A 374 -1.131 -1.404 6.416 1.00 54.42 C ATOM 521 O PHE A 374 -2.050 -1.534 7.200 1.00 22.34 O ATOM 522 CB PHE A 374 -0.023 -3.442 5.496 1.00 43.32 C ATOM 523 CG PHE A 374 -0.131 -4.628 4.580 1.00 34.53 C ATOM 524 CD1 PHE A 374 -1.021 -5.649 4.868 1.00 11.53 C ATOM 525 CD2 PHE A 374 0.652 -4.737 3.456 1.00 30.13 C ATOM 526 CE1 PHE A 374 -1.124 -6.747 4.048 1.00 15.41 C ATOM 527 CE2 PHE A 374 0.551 -5.839 2.626 1.00 61.01 C ATOM 528 CZ PHE A 374 -0.337 -6.843 2.924 1.00 1.13 C ATOM 0 H PHE A 374 0.190 -1.839 3.560 1.00 54.01 H new ATOM 0 HA PHE A 374 -1.988 -2.761 5.027 1.00 70.14 H new ATOM 0 HB2 PHE A 374 0.989 -3.043 5.430 1.00 43.32 H new ATOM 0 HB3 PHE A 374 -0.165 -3.782 6.522 1.00 43.32 H new ATOM 0 HD1 PHE A 374 -1.642 -5.582 5.749 1.00 11.53 H new ATOM 0 HD2 PHE A 374 1.355 -3.953 3.218 1.00 30.13 H new ATOM 0 HE1 PHE A 374 -1.823 -7.535 4.286 1.00 15.41 H new ATOM 0 HE2 PHE A 374 1.170 -5.910 1.744 1.00 61.01 H new ATOM 0 HZ PHE A 374 -0.417 -7.705 2.278 1.00 1.13 H new ATOM 538 N ALA A 375 -0.226 -0.479 6.532 1.00 73.14 N ATOM 539 CA ALA A 375 -0.229 0.453 7.655 1.00 71.13 C ATOM 540 C ALA A 375 -1.462 1.365 7.621 1.00 61.52 C ATOM 541 O ALA A 375 -2.034 1.694 8.652 1.00 14.13 O ATOM 542 CB ALA A 375 1.049 1.276 7.665 1.00 71.02 C ATOM 0 H ALA A 375 0.534 -0.337 5.867 1.00 73.14 H new ATOM 0 HA ALA A 375 -0.275 -0.130 8.575 1.00 71.13 H new ATOM 0 HB1 ALA A 375 1.031 1.966 8.509 1.00 71.02 H new ATOM 0 HB2 ALA A 375 1.909 0.612 7.758 1.00 71.02 H new ATOM 0 HB3 ALA A 375 1.125 1.841 6.736 1.00 71.02 H new ATOM 548 N SER A 376 -1.869 1.746 6.439 1.00 61.33 N ATOM 549 CA SER A 376 -3.009 2.622 6.269 1.00 31.24 C ATOM 550 C SER A 376 -4.349 1.877 6.405 1.00 11.32 C ATOM 551 O SER A 376 -5.290 2.389 7.012 1.00 52.14 O ATOM 552 CB SER A 376 -2.934 3.317 4.909 1.00 42.31 C ATOM 553 OG SER A 376 -1.703 4.027 4.768 1.00 31.14 O ATOM 0 H SER A 376 -1.424 1.461 5.566 1.00 61.33 H new ATOM 0 HA SER A 376 -2.969 3.363 7.067 1.00 31.24 H new ATOM 0 HB2 SER A 376 -3.026 2.578 4.113 1.00 42.31 H new ATOM 0 HB3 SER A 376 -3.771 4.007 4.802 1.00 42.31 H new ATOM 0 HG SER A 376 -0.968 3.388 4.658 1.00 31.14 H new ATOM 559 N ASN A 377 -4.424 0.669 5.867 1.00 22.24 N ATOM 560 CA ASN A 377 -5.697 -0.049 5.826 1.00 34.51 C ATOM 561 C ASN A 377 -5.870 -1.024 6.975 1.00 51.43 C ATOM 562 O ASN A 377 -6.991 -1.396 7.316 1.00 43.20 O ATOM 563 CB ASN A 377 -5.908 -0.748 4.468 1.00 73.43 C ATOM 564 CG ASN A 377 -6.002 0.241 3.312 1.00 13.52 C ATOM 565 OD1 ASN A 377 -7.090 0.718 2.963 1.00 2.25 O ATOM 566 ND2 ASN A 377 -4.877 0.560 2.718 1.00 72.31 N ATOM 0 H ASN A 377 -3.635 0.169 5.458 1.00 22.24 H new ATOM 0 HA ASN A 377 -6.472 0.708 5.945 1.00 34.51 H new ATOM 0 HB2 ASN A 377 -5.084 -1.438 4.286 1.00 73.43 H new ATOM 0 HB3 ASN A 377 -6.820 -1.344 4.507 1.00 73.43 H new ATOM 0 HD21 ASN A 377 -4.880 1.221 1.941 1.00 72.31 H new ATOM 0 HD22 ASN A 377 -3.999 0.147 3.033 1.00 72.31 H new ATOM 573 N VAL A 378 -4.780 -1.436 7.578 1.00 0.43 N ATOM 574 CA VAL A 378 -4.841 -2.354 8.692 1.00 3.32 C ATOM 575 C VAL A 378 -4.376 -1.643 9.963 1.00 24.02 C ATOM 576 O VAL A 378 -3.235 -1.172 10.042 1.00 43.23 O ATOM 577 CB VAL A 378 -3.970 -3.615 8.452 1.00 4.23 C ATOM 578 CG1 VAL A 378 -4.082 -4.601 9.613 1.00 41.22 C ATOM 579 CG2 VAL A 378 -4.331 -4.291 7.132 1.00 31.44 C ATOM 0 H VAL A 378 -3.837 -1.149 7.315 1.00 0.43 H new ATOM 0 HA VAL A 378 -5.875 -2.682 8.799 1.00 3.32 H new ATOM 0 HB VAL A 378 -2.932 -3.287 8.392 1.00 4.23 H new ATOM 0 HG11 VAL A 378 -3.459 -5.473 9.412 1.00 41.22 H new ATOM 0 HG12 VAL A 378 -3.747 -4.120 10.532 1.00 41.22 H new ATOM 0 HG13 VAL A 378 -5.120 -4.915 9.725 1.00 41.22 H new ATOM 0 HG21 VAL A 378 -3.704 -5.172 6.991 1.00 31.44 H new ATOM 0 HG22 VAL A 378 -5.379 -4.591 7.151 1.00 31.44 H new ATOM 0 HG23 VAL A 378 -4.168 -3.594 6.310 1.00 31.44 H new ATOM 589 N PRO A 379 -5.258 -1.546 10.969 1.00 23.13 N ATOM 590 CA PRO A 379 -4.955 -0.863 12.229 1.00 23.33 C ATOM 591 C PRO A 379 -3.706 -1.422 12.933 1.00 4.45 C ATOM 592 O PRO A 379 -2.916 -0.664 13.497 1.00 62.33 O ATOM 593 CB PRO A 379 -6.198 -1.056 13.102 1.00 15.13 C ATOM 594 CG PRO A 379 -7.194 -1.838 12.299 1.00 33.30 C ATOM 595 CD PRO A 379 -6.626 -2.092 10.931 1.00 2.11 C ATOM 0 HA PRO A 379 -4.728 0.187 12.045 1.00 23.33 H new ATOM 0 HB2 PRO A 379 -5.944 -1.586 14.020 1.00 15.13 H new ATOM 0 HB3 PRO A 379 -6.614 -0.092 13.396 1.00 15.13 H new ATOM 0 HG2 PRO A 379 -7.419 -2.782 12.795 1.00 33.30 H new ATOM 0 HG3 PRO A 379 -8.131 -1.287 12.221 1.00 33.30 H new ATOM 0 HD2 PRO A 379 -6.618 -3.157 10.700 1.00 2.11 H new ATOM 0 HD3 PRO A 379 -7.223 -1.604 10.161 1.00 2.11 H new ATOM 603 N TYR A 380 -3.527 -2.748 12.866 1.00 71.11 N ATOM 604 CA TYR A 380 -2.380 -3.437 13.470 1.00 74.34 C ATOM 605 C TYR A 380 -1.060 -2.897 12.918 1.00 13.22 C ATOM 606 O TYR A 380 -0.104 -2.690 13.664 1.00 65.41 O ATOM 607 CB TYR A 380 -2.511 -4.943 13.199 1.00 25.32 C ATOM 608 CG TYR A 380 -1.428 -5.800 13.793 1.00 42.35 C ATOM 609 CD1 TYR A 380 -1.460 -6.150 15.124 1.00 74.43 C ATOM 610 CD2 TYR A 380 -0.379 -6.264 13.019 1.00 31.14 C ATOM 611 CE1 TYR A 380 -0.483 -6.938 15.674 1.00 1.13 C ATOM 612 CE2 TYR A 380 0.609 -7.057 13.558 1.00 32.21 C ATOM 613 CZ TYR A 380 0.555 -7.393 14.887 1.00 51.51 C ATOM 614 OH TYR A 380 1.546 -8.190 15.439 1.00 12.21 O ATOM 0 H TYR A 380 -4.176 -3.374 12.390 1.00 71.11 H new ATOM 0 HA TYR A 380 -2.376 -3.258 14.545 1.00 74.34 H new ATOM 0 HB2 TYR A 380 -3.472 -5.282 13.585 1.00 25.32 H new ATOM 0 HB3 TYR A 380 -2.526 -5.101 12.121 1.00 25.32 H new ATOM 0 HD1 TYR A 380 -2.270 -5.797 15.746 1.00 74.43 H new ATOM 0 HD2 TYR A 380 -0.334 -5.999 11.973 1.00 31.14 H new ATOM 0 HE1 TYR A 380 -0.525 -7.202 16.720 1.00 1.13 H new ATOM 0 HE2 TYR A 380 1.420 -7.412 12.939 1.00 32.21 H new ATOM 0 HH TYR A 380 2.200 -8.424 14.748 1.00 12.21 H new ATOM 624 N PHE A 381 -1.001 -2.691 11.624 1.00 52.22 N ATOM 625 CA PHE A 381 0.188 -2.159 11.016 1.00 65.42 C ATOM 626 C PHE A 381 0.309 -0.682 11.229 1.00 24.21 C ATOM 627 O PHE A 381 1.399 -0.153 11.290 1.00 3.32 O ATOM 628 CB PHE A 381 0.309 -2.566 9.574 1.00 4.44 C ATOM 629 CG PHE A 381 0.337 -4.040 9.447 1.00 52.01 C ATOM 630 CD1 PHE A 381 1.269 -4.777 10.142 1.00 54.22 C ATOM 631 CD2 PHE A 381 -0.580 -4.696 8.677 1.00 33.20 C ATOM 632 CE1 PHE A 381 1.288 -6.138 10.062 1.00 41.32 C ATOM 633 CE2 PHE A 381 -0.573 -6.055 8.594 1.00 25.31 C ATOM 634 CZ PHE A 381 0.371 -6.780 9.292 1.00 41.43 C ATOM 0 H PHE A 381 -1.764 -2.885 10.975 1.00 52.22 H new ATOM 0 HA PHE A 381 1.044 -2.604 11.523 1.00 65.42 H new ATOM 0 HB2 PHE A 381 -0.529 -2.163 9.006 1.00 4.44 H new ATOM 0 HB3 PHE A 381 1.217 -2.142 9.146 1.00 4.44 H new ATOM 0 HD1 PHE A 381 1.996 -4.270 10.760 1.00 54.22 H new ATOM 0 HD2 PHE A 381 -1.319 -4.131 8.128 1.00 33.20 H new ATOM 0 HE1 PHE A 381 2.029 -6.703 10.608 1.00 41.32 H new ATOM 0 HE2 PHE A 381 -1.304 -6.564 7.984 1.00 25.31 H new ATOM 0 HZ PHE A 381 0.381 -7.858 9.226 1.00 41.43 H new ATOM 644 N GLY A 382 -0.830 -0.022 11.350 1.00 33.31 N ATOM 645 CA GLY A 382 -0.851 1.399 11.625 1.00 53.14 C ATOM 646 C GLY A 382 -0.126 1.736 12.920 1.00 52.32 C ATOM 647 O GLY A 382 0.502 2.782 13.035 1.00 1.33 O ATOM 0 H GLY A 382 -1.751 -0.450 11.262 1.00 33.31 H new ATOM 0 HA2 GLY A 382 -0.386 1.936 10.798 1.00 53.14 H new ATOM 0 HA3 GLY A 382 -1.884 1.742 11.687 1.00 53.14 H new ATOM 651 N ASN A 383 -0.199 0.833 13.902 1.00 31.14 N ATOM 652 CA ASN A 383 0.495 1.033 15.152 1.00 12.51 C ATOM 653 C ASN A 383 1.951 0.522 15.090 1.00 74.13 C ATOM 654 O ASN A 383 2.724 0.684 16.041 1.00 44.21 O ATOM 655 CB ASN A 383 -0.263 0.428 16.361 1.00 51.30 C ATOM 656 CG ASN A 383 -0.527 -1.056 16.316 1.00 65.13 C ATOM 657 OD1 ASN A 383 0.325 -1.855 16.693 1.00 52.12 O ATOM 658 ND2 ASN A 383 -1.717 -1.435 15.946 1.00 71.42 N ATOM 0 H ASN A 383 -0.732 -0.035 13.845 1.00 31.14 H new ATOM 0 HA ASN A 383 0.529 2.111 15.310 1.00 12.51 H new ATOM 0 HB2 ASN A 383 0.307 0.646 17.264 1.00 51.30 H new ATOM 0 HB3 ASN A 383 -1.220 0.942 16.456 1.00 51.30 H new ATOM 0 HD21 ASN A 383 -1.966 -2.424 15.964 1.00 71.42 H new ATOM 0 HD22 ASN A 383 -2.400 -0.743 15.638 1.00 71.42 H new ATOM 665 N ARG A 384 2.316 -0.075 13.975 1.00 44.00 N ATOM 666 CA ARG A 384 3.668 -0.580 13.745 1.00 13.14 C ATOM 667 C ARG A 384 4.294 0.041 12.516 1.00 20.44 C ATOM 668 O ARG A 384 4.436 -0.609 11.484 1.00 61.25 O ATOM 669 CB ARG A 384 3.698 -2.109 13.674 1.00 5.53 C ATOM 670 CG ARG A 384 3.575 -2.774 15.018 1.00 14.14 C ATOM 671 CD ARG A 384 3.399 -4.264 14.905 1.00 12.42 C ATOM 672 NE ARG A 384 3.445 -4.901 16.226 1.00 1.25 N ATOM 673 CZ ARG A 384 2.406 -5.061 17.049 1.00 42.33 C ATOM 674 NH1 ARG A 384 1.237 -4.505 16.767 1.00 10.31 N ATOM 675 NH2 ARG A 384 2.560 -5.729 18.179 1.00 25.44 N ATOM 0 H ARG A 384 1.682 -0.229 13.191 1.00 44.00 H new ATOM 0 HA ARG A 384 4.270 -0.283 14.604 1.00 13.14 H new ATOM 0 HB2 ARG A 384 2.886 -2.451 13.032 1.00 5.53 H new ATOM 0 HB3 ARG A 384 4.630 -2.425 13.205 1.00 5.53 H new ATOM 0 HG2 ARG A 384 4.465 -2.560 15.610 1.00 14.14 H new ATOM 0 HG3 ARG A 384 2.726 -2.350 15.554 1.00 14.14 H new ATOM 0 HD2 ARG A 384 2.447 -4.486 14.423 1.00 12.42 H new ATOM 0 HD3 ARG A 384 4.182 -4.679 14.270 1.00 12.42 H new ATOM 0 HE ARG A 384 4.349 -5.252 16.543 1.00 1.25 H new ATOM 0 HH11 ARG A 384 1.127 -3.951 15.917 1.00 10.31 H new ATOM 0 HH12 ARG A 384 0.447 -4.631 17.399 1.00 10.31 H new ATOM 0 HH21 ARG A 384 3.471 -6.120 18.420 1.00 25.44 H new ATOM 0 HH22 ARG A 384 1.768 -5.853 18.810 1.00 25.44 H new ATOM 689 N THR A 385 4.647 1.302 12.619 1.00 71.31 N ATOM 690 CA THR A 385 5.156 2.024 11.466 1.00 14.02 C ATOM 691 C THR A 385 6.614 2.490 11.607 1.00 24.51 C ATOM 692 O THR A 385 7.234 2.905 10.621 1.00 53.25 O ATOM 693 CB THR A 385 4.235 3.210 11.094 1.00 41.43 C ATOM 694 OG1 THR A 385 3.958 4.007 12.265 1.00 51.43 O ATOM 695 CG2 THR A 385 2.933 2.715 10.492 1.00 62.43 C ATOM 0 H THR A 385 4.594 1.848 13.479 1.00 71.31 H new ATOM 0 HA THR A 385 5.153 1.300 10.651 1.00 14.02 H new ATOM 0 HB THR A 385 4.749 3.822 10.353 1.00 41.43 H new ATOM 0 HG1 THR A 385 3.376 4.756 12.020 1.00 51.43 H new ATOM 0 HG21 THR A 385 2.302 3.567 10.239 1.00 62.43 H new ATOM 0 HG22 THR A 385 3.144 2.139 9.591 1.00 62.43 H new ATOM 0 HG23 THR A 385 2.416 2.083 11.214 1.00 62.43 H new ATOM 703 N SER A 386 7.166 2.438 12.806 1.00 72.22 N ATOM 704 CA SER A 386 8.564 2.816 12.995 1.00 70.34 C ATOM 705 C SER A 386 9.459 1.664 12.475 1.00 72.35 C ATOM 706 O SER A 386 8.955 0.563 12.235 1.00 11.02 O ATOM 707 CB SER A 386 8.835 3.141 14.482 1.00 23.44 C ATOM 708 OG SER A 386 10.157 3.625 14.699 1.00 30.51 O ATOM 0 H SER A 386 6.681 2.143 13.654 1.00 72.22 H new ATOM 0 HA SER A 386 8.796 3.718 12.429 1.00 70.34 H new ATOM 0 HB2 SER A 386 8.117 3.886 14.825 1.00 23.44 H new ATOM 0 HB3 SER A 386 8.676 2.245 15.082 1.00 23.44 H new ATOM 0 HG SER A 386 10.282 3.819 15.651 1.00 30.51 H new ATOM 714 N GLN A 387 10.758 1.909 12.301 1.00 12.45 N ATOM 715 CA GLN A 387 11.682 0.904 11.725 1.00 13.31 C ATOM 716 C GLN A 387 11.657 -0.420 12.492 1.00 73.02 C ATOM 717 O GLN A 387 11.376 -1.463 11.921 1.00 73.40 O ATOM 718 CB GLN A 387 13.125 1.435 11.700 1.00 52.33 C ATOM 719 CG GLN A 387 13.349 2.657 10.834 1.00 65.44 C ATOM 720 CD GLN A 387 14.779 3.159 10.916 1.00 52.34 C ATOM 721 OE1 GLN A 387 15.641 2.743 10.146 1.00 51.11 O ATOM 722 NE2 GLN A 387 15.039 4.047 11.832 1.00 52.24 N ATOM 0 H GLN A 387 11.204 2.792 12.548 1.00 12.45 H new ATOM 0 HA GLN A 387 11.335 0.720 10.708 1.00 13.31 H new ATOM 0 HB2 GLN A 387 13.425 1.673 12.721 1.00 52.33 H new ATOM 0 HB3 GLN A 387 13.782 0.638 11.352 1.00 52.33 H new ATOM 0 HG2 GLN A 387 13.108 2.416 9.799 1.00 65.44 H new ATOM 0 HG3 GLN A 387 12.668 3.450 11.143 1.00 65.44 H new ATOM 0 HE21 GLN A 387 14.298 4.370 12.454 1.00 52.24 H new ATOM 0 HE22 GLN A 387 15.984 4.420 11.927 1.00 52.24 H new ATOM 731 N GLU A 388 11.869 -0.362 13.791 1.00 40.21 N ATOM 732 CA GLU A 388 11.921 -1.576 14.609 1.00 65.43 C ATOM 733 C GLU A 388 10.526 -2.154 14.821 1.00 50.43 C ATOM 734 O GLU A 388 10.360 -3.330 15.140 1.00 14.44 O ATOM 735 CB GLU A 388 12.616 -1.287 15.943 1.00 4.01 C ATOM 736 CG GLU A 388 14.051 -0.805 15.776 1.00 33.20 C ATOM 737 CD GLU A 388 14.726 -0.478 17.083 1.00 71.24 C ATOM 738 OE1 GLU A 388 14.592 0.672 17.564 1.00 52.35 O ATOM 739 OE2 GLU A 388 15.416 -1.356 17.657 1.00 31.52 O ATOM 0 H GLU A 388 12.009 0.505 14.310 1.00 40.21 H new ATOM 0 HA GLU A 388 12.505 -2.327 14.078 1.00 65.43 H new ATOM 0 HB2 GLU A 388 12.047 -0.533 16.487 1.00 4.01 H new ATOM 0 HB3 GLU A 388 12.611 -2.191 16.552 1.00 4.01 H new ATOM 0 HG2 GLU A 388 14.627 -1.573 15.260 1.00 33.20 H new ATOM 0 HG3 GLU A 388 14.058 0.080 15.140 1.00 33.20 H new ATOM 746 N GLN A 389 9.539 -1.325 14.614 1.00 31.22 N ATOM 747 CA GLN A 389 8.149 -1.711 14.757 1.00 4.41 C ATOM 748 C GLN A 389 7.622 -2.423 13.522 1.00 31.23 C ATOM 749 O GLN A 389 6.721 -3.238 13.616 1.00 54.13 O ATOM 750 CB GLN A 389 7.292 -0.477 15.045 1.00 61.15 C ATOM 751 CG GLN A 389 7.539 0.133 16.407 1.00 63.23 C ATOM 752 CD GLN A 389 7.068 -0.760 17.541 1.00 24.14 C ATOM 753 OE1 GLN A 389 7.639 -0.763 18.623 1.00 43.34 O ATOM 754 NE2 GLN A 389 5.997 -1.483 17.310 1.00 62.10 N ATOM 0 H GLN A 389 9.671 -0.352 14.338 1.00 31.22 H new ATOM 0 HA GLN A 389 8.089 -2.409 15.592 1.00 4.41 H new ATOM 0 HB2 GLN A 389 7.485 0.275 14.280 1.00 61.15 H new ATOM 0 HB3 GLN A 389 6.240 -0.750 14.965 1.00 61.15 H new ATOM 0 HG2 GLN A 389 8.604 0.331 16.524 1.00 63.23 H new ATOM 0 HG3 GLN A 389 7.027 1.093 16.469 1.00 63.23 H new ATOM 0 HE21 GLN A 389 5.549 -1.453 16.394 1.00 62.10 H new ATOM 0 HE22 GLN A 389 5.612 -2.075 18.047 1.00 62.10 H new ATOM 763 N SER A 390 8.174 -2.113 12.376 1.00 42.42 N ATOM 764 CA SER A 390 7.645 -2.648 11.156 1.00 2.23 C ATOM 765 C SER A 390 8.553 -3.679 10.485 1.00 53.10 C ATOM 766 O SER A 390 8.090 -4.466 9.658 1.00 11.40 O ATOM 767 CB SER A 390 7.299 -1.513 10.205 1.00 31.34 C ATOM 768 OG SER A 390 8.446 -0.724 9.885 1.00 44.02 O ATOM 0 H SER A 390 8.981 -1.499 12.266 1.00 42.42 H new ATOM 0 HA SER A 390 6.740 -3.196 11.418 1.00 2.23 H new ATOM 0 HB2 SER A 390 6.872 -1.923 9.290 1.00 31.34 H new ATOM 0 HB3 SER A 390 6.536 -0.879 10.657 1.00 31.34 H new ATOM 0 HG SER A 390 8.671 -0.150 10.647 1.00 44.02 H new ATOM 774 N ALA A 391 9.826 -3.674 10.856 1.00 31.44 N ATOM 775 CA ALA A 391 10.853 -4.533 10.249 1.00 32.44 C ATOM 776 C ALA A 391 10.424 -5.986 10.104 1.00 62.21 C ATOM 777 O ALA A 391 10.481 -6.544 9.011 1.00 14.33 O ATOM 778 CB ALA A 391 12.123 -4.463 11.061 1.00 11.24 C ATOM 0 H ALA A 391 10.186 -3.069 11.594 1.00 31.44 H new ATOM 0 HA ALA A 391 11.017 -4.151 9.241 1.00 32.44 H new ATOM 0 HB1 ALA A 391 12.881 -5.101 10.607 1.00 11.24 H new ATOM 0 HB2 ALA A 391 12.483 -3.434 11.086 1.00 11.24 H new ATOM 0 HB3 ALA A 391 11.924 -4.803 12.077 1.00 11.24 H new ATOM 784 N GLY A 392 9.976 -6.575 11.190 1.00 24.32 N ATOM 785 CA GLY A 392 9.631 -7.971 11.186 1.00 65.45 C ATOM 786 C GLY A 392 8.496 -8.325 10.267 1.00 21.12 C ATOM 787 O GLY A 392 8.601 -9.307 9.517 1.00 63.42 O ATOM 0 H GLY A 392 9.843 -6.105 12.086 1.00 24.32 H new ATOM 0 HA2 GLY A 392 10.509 -8.549 10.899 1.00 65.45 H new ATOM 0 HA3 GLY A 392 9.369 -8.271 12.200 1.00 65.45 H new ATOM 791 N TRP A 393 7.406 -7.561 10.293 1.00 2.32 N ATOM 792 CA TRP A 393 6.299 -7.893 9.427 1.00 71.35 C ATOM 793 C TRP A 393 6.644 -7.618 7.957 1.00 34.24 C ATOM 794 O TRP A 393 6.135 -8.287 7.048 1.00 24.05 O ATOM 795 CB TRP A 393 4.936 -7.307 9.868 1.00 35.05 C ATOM 796 CG TRP A 393 4.810 -5.829 9.834 1.00 1.51 C ATOM 797 CD1 TRP A 393 5.104 -4.960 10.827 1.00 53.51 C ATOM 798 CD2 TRP A 393 4.307 -5.056 8.749 1.00 34.03 C ATOM 799 NE1 TRP A 393 4.830 -3.672 10.415 1.00 62.14 N ATOM 800 CE2 TRP A 393 4.347 -3.708 9.139 1.00 74.14 C ATOM 801 CE3 TRP A 393 3.837 -5.384 7.485 1.00 74.43 C ATOM 802 CZ2 TRP A 393 3.933 -2.675 8.301 1.00 64.11 C ATOM 803 CZ3 TRP A 393 3.422 -4.363 6.648 1.00 43.55 C ATOM 804 CH2 TRP A 393 3.477 -3.021 7.058 1.00 14.32 C ATOM 0 H TRP A 393 7.275 -6.740 10.884 1.00 2.32 H new ATOM 0 HA TRP A 393 6.148 -8.968 9.527 1.00 71.35 H new ATOM 0 HB2 TRP A 393 4.160 -7.731 9.230 1.00 35.05 H new ATOM 0 HB3 TRP A 393 4.732 -7.644 10.885 1.00 35.05 H new ATOM 0 HD1 TRP A 393 5.494 -5.233 11.796 1.00 53.51 H new ATOM 0 HE1 TRP A 393 4.966 -2.829 10.974 1.00 62.14 H new ATOM 0 HE3 TRP A 393 3.796 -6.414 7.162 1.00 74.43 H new ATOM 0 HZ2 TRP A 393 3.970 -1.644 8.619 1.00 64.11 H new ATOM 0 HZ3 TRP A 393 3.050 -4.602 5.663 1.00 43.55 H new ATOM 0 HH2 TRP A 393 3.153 -2.246 6.379 1.00 14.32 H new ATOM 815 N LYS A 394 7.533 -6.642 7.728 1.00 4.43 N ATOM 816 CA LYS A 394 8.069 -6.404 6.406 1.00 54.04 C ATOM 817 C LYS A 394 8.898 -7.576 5.937 1.00 31.11 C ATOM 818 O LYS A 394 8.849 -7.946 4.758 1.00 3.20 O ATOM 819 CB LYS A 394 8.875 -5.133 6.393 1.00 73.53 C ATOM 820 CG LYS A 394 8.005 -3.942 6.581 1.00 50.04 C ATOM 821 CD LYS A 394 8.782 -2.673 6.702 1.00 11.20 C ATOM 822 CE LYS A 394 7.820 -1.534 6.737 1.00 63.11 C ATOM 823 NZ LYS A 394 8.475 -0.227 6.916 1.00 60.14 N ATOM 0 H LYS A 394 7.888 -6.012 8.448 1.00 4.43 H new ATOM 0 HA LYS A 394 7.236 -6.292 5.712 1.00 54.04 H new ATOM 0 HB2 LYS A 394 9.625 -5.167 7.183 1.00 73.53 H new ATOM 0 HB3 LYS A 394 9.411 -5.049 5.448 1.00 73.53 H new ATOM 0 HG2 LYS A 394 7.317 -3.863 5.739 1.00 50.04 H new ATOM 0 HG3 LYS A 394 7.398 -4.078 7.476 1.00 50.04 H new ATOM 0 HD2 LYS A 394 9.389 -2.685 7.607 1.00 11.20 H new ATOM 0 HD3 LYS A 394 9.467 -2.566 5.861 1.00 11.20 H new ATOM 0 HE2 LYS A 394 7.247 -1.522 5.810 1.00 63.11 H new ATOM 0 HE3 LYS A 394 7.110 -1.691 7.549 1.00 63.11 H new ATOM 0 HZ1 LYS A 394 7.869 0.522 6.524 1.00 60.14 H new ATOM 0 HZ2 LYS A 394 8.629 -0.052 7.929 1.00 60.14 H new ATOM 0 HZ3 LYS A 394 9.390 -0.227 6.422 1.00 60.14 H new ATOM 837 N ASN A 395 9.644 -8.180 6.861 1.00 3.34 N ATOM 838 CA ASN A 395 10.439 -9.365 6.537 1.00 4.52 C ATOM 839 C ASN A 395 9.527 -10.481 6.069 1.00 12.41 C ATOM 840 O ASN A 395 9.830 -11.176 5.098 1.00 70.22 O ATOM 841 CB ASN A 395 11.271 -9.857 7.736 1.00 73.42 C ATOM 842 CG ASN A 395 12.342 -8.885 8.219 1.00 31.43 C ATOM 843 OD1 ASN A 395 12.684 -8.873 9.409 1.00 2.25 O ATOM 844 ND2 ASN A 395 12.893 -8.083 7.329 1.00 74.01 N ATOM 0 H ASN A 395 9.715 -7.873 7.831 1.00 3.34 H new ATOM 0 HA ASN A 395 11.132 -9.083 5.745 1.00 4.52 H new ATOM 0 HB2 ASN A 395 10.596 -10.071 8.564 1.00 73.42 H new ATOM 0 HB3 ASN A 395 11.751 -10.797 7.465 1.00 73.42 H new ATOM 0 HD21 ASN A 395 13.622 -7.429 7.614 1.00 74.01 H new ATOM 0 HD22 ASN A 395 12.590 -8.116 6.356 1.00 74.01 H new ATOM 851 N SER A 396 8.397 -10.622 6.745 1.00 61.15 N ATOM 852 CA SER A 396 7.405 -11.628 6.425 1.00 70.31 C ATOM 853 C SER A 396 6.912 -11.459 4.970 1.00 24.03 C ATOM 854 O SER A 396 6.890 -12.415 4.192 1.00 61.25 O ATOM 855 CB SER A 396 6.241 -11.480 7.395 1.00 12.15 C ATOM 856 OG SER A 396 6.697 -11.497 8.740 1.00 10.53 O ATOM 0 H SER A 396 8.144 -10.034 7.539 1.00 61.15 H new ATOM 0 HA SER A 396 7.845 -12.621 6.517 1.00 70.31 H new ATOM 0 HB2 SER A 396 5.714 -10.547 7.197 1.00 12.15 H new ATOM 0 HB3 SER A 396 5.527 -12.289 7.239 1.00 12.15 H new ATOM 0 HG SER A 396 5.933 -11.399 9.346 1.00 10.53 H new ATOM 862 N ILE A 397 6.563 -10.234 4.612 1.00 13.23 N ATOM 863 CA ILE A 397 6.098 -9.910 3.264 1.00 54.14 C ATOM 864 C ILE A 397 7.215 -10.129 2.231 1.00 3.33 C ATOM 865 O ILE A 397 6.995 -10.744 1.176 1.00 65.42 O ATOM 866 CB ILE A 397 5.589 -8.431 3.200 1.00 54.01 C ATOM 867 CG1 ILE A 397 4.316 -8.259 4.042 1.00 54.53 C ATOM 868 CG2 ILE A 397 5.349 -7.962 1.762 1.00 2.22 C ATOM 869 CD1 ILE A 397 3.816 -6.840 4.128 1.00 11.13 C ATOM 0 H ILE A 397 6.592 -9.434 5.244 1.00 13.23 H new ATOM 0 HA ILE A 397 5.271 -10.578 3.024 1.00 54.14 H new ATOM 0 HB ILE A 397 6.376 -7.803 3.617 1.00 54.01 H new ATOM 0 HG12 ILE A 397 3.529 -8.884 3.621 1.00 54.53 H new ATOM 0 HG13 ILE A 397 4.509 -8.625 5.050 1.00 54.53 H new ATOM 0 HG21 ILE A 397 4.997 -6.930 1.770 1.00 2.22 H new ATOM 0 HG22 ILE A 397 6.280 -8.023 1.199 1.00 2.22 H new ATOM 0 HG23 ILE A 397 4.599 -8.598 1.292 1.00 2.22 H new ATOM 0 HD11 ILE A 397 2.915 -6.808 4.740 1.00 11.13 H new ATOM 0 HD12 ILE A 397 4.583 -6.211 4.579 1.00 11.13 H new ATOM 0 HD13 ILE A 397 3.588 -6.473 3.127 1.00 11.13 H new ATOM 881 N ARG A 398 8.408 -9.650 2.555 1.00 14.50 N ATOM 882 CA ARG A 398 9.537 -9.722 1.675 1.00 10.01 C ATOM 883 C ARG A 398 9.935 -11.185 1.379 1.00 61.41 C ATOM 884 O ARG A 398 10.286 -11.519 0.240 1.00 70.45 O ATOM 885 CB ARG A 398 10.681 -8.963 2.303 1.00 33.31 C ATOM 886 CG ARG A 398 11.385 -8.012 1.371 1.00 12.12 C ATOM 887 CD ARG A 398 12.002 -8.712 0.175 1.00 14.50 C ATOM 888 NE ARG A 398 12.701 -7.780 -0.699 1.00 3.54 N ATOM 889 CZ ARG A 398 13.142 -8.056 -1.928 1.00 60.53 C ATOM 890 NH1 ARG A 398 13.014 -9.280 -2.430 1.00 15.04 N ATOM 891 NH2 ARG A 398 13.742 -7.112 -2.634 1.00 71.30 N ATOM 0 H ARG A 398 8.608 -9.199 3.448 1.00 14.50 H new ATOM 0 HA ARG A 398 9.277 -9.272 0.717 1.00 10.01 H new ATOM 0 HB2 ARG A 398 10.303 -8.401 3.157 1.00 33.31 H new ATOM 0 HB3 ARG A 398 11.407 -9.679 2.688 1.00 33.31 H new ATOM 0 HG2 ARG A 398 10.676 -7.261 1.021 1.00 12.12 H new ATOM 0 HG3 ARG A 398 12.165 -7.483 1.919 1.00 12.12 H new ATOM 0 HD2 ARG A 398 12.698 -9.477 0.521 1.00 14.50 H new ATOM 0 HD3 ARG A 398 11.222 -9.223 -0.389 1.00 14.50 H new ATOM 0 HE ARG A 398 12.867 -6.839 -0.342 1.00 3.54 H new ATOM 0 HH11 ARG A 398 12.576 -10.016 -1.875 1.00 15.04 H new ATOM 0 HH12 ARG A 398 13.353 -9.484 -3.370 1.00 15.04 H new ATOM 0 HH21 ARG A 398 13.865 -6.180 -2.238 1.00 71.30 H new ATOM 0 HH22 ARG A 398 14.081 -7.316 -3.574 1.00 71.30 H new ATOM 905 N HIS A 399 9.872 -12.051 2.395 1.00 10.03 N ATOM 906 CA HIS A 399 10.164 -13.480 2.199 1.00 72.33 C ATOM 907 C HIS A 399 9.223 -14.124 1.207 1.00 2.21 C ATOM 908 O HIS A 399 9.650 -14.885 0.345 1.00 70.10 O ATOM 909 CB HIS A 399 10.190 -14.281 3.514 1.00 11.33 C ATOM 910 CG HIS A 399 11.490 -14.208 4.260 1.00 42.24 C ATOM 911 ND1 HIS A 399 12.385 -15.254 4.292 1.00 41.25 N ATOM 912 CD2 HIS A 399 12.040 -13.230 5.004 1.00 12.32 C ATOM 913 CE1 HIS A 399 13.421 -14.921 5.021 1.00 32.35 C ATOM 914 NE2 HIS A 399 13.242 -13.696 5.466 1.00 33.02 N ATOM 0 H HIS A 399 9.625 -11.795 3.351 1.00 10.03 H new ATOM 0 HA HIS A 399 11.172 -13.511 1.785 1.00 72.33 H new ATOM 0 HB2 HIS A 399 9.393 -13.918 4.162 1.00 11.33 H new ATOM 0 HB3 HIS A 399 9.970 -15.326 3.293 1.00 11.33 H new ATOM 0 HD2 HIS A 399 11.612 -12.258 5.200 1.00 12.32 H new ATOM 0 HE1 HIS A 399 14.278 -15.547 5.223 1.00 32.35 H new ATOM 0 HE2 HIS A 399 13.892 -13.178 6.058 1.00 33.02 H new ATOM 923 N ASN A 400 7.961 -13.795 1.307 1.00 33.50 N ATOM 924 CA ASN A 400 6.944 -14.335 0.414 1.00 41.00 C ATOM 925 C ASN A 400 7.129 -13.827 -1.011 1.00 3.21 C ATOM 926 O ASN A 400 6.943 -14.571 -1.976 1.00 61.40 O ATOM 927 CB ASN A 400 5.563 -14.022 0.969 1.00 41.42 C ATOM 928 CG ASN A 400 5.342 -14.739 2.288 1.00 11.21 C ATOM 929 OD1 ASN A 400 5.834 -15.852 2.493 1.00 33.23 O ATOM 930 ND2 ASN A 400 4.676 -14.110 3.196 1.00 3.30 N ATOM 0 H ASN A 400 7.600 -13.146 2.006 1.00 33.50 H new ATOM 0 HA ASN A 400 7.050 -15.419 0.363 1.00 41.00 H new ATOM 0 HB2 ASN A 400 5.458 -12.946 1.112 1.00 41.42 H new ATOM 0 HB3 ASN A 400 4.800 -14.325 0.252 1.00 41.42 H new ATOM 0 HD21 ASN A 400 4.543 -14.532 4.115 1.00 3.30 H new ATOM 0 HD22 ASN A 400 4.282 -13.191 2.995 1.00 3.30 H new ATOM 937 N LEU A 401 7.524 -12.574 -1.145 1.00 62.40 N ATOM 938 CA LEU A 401 7.859 -12.012 -2.457 1.00 41.42 C ATOM 939 C LEU A 401 9.085 -12.704 -3.050 1.00 4.02 C ATOM 940 O LEU A 401 9.175 -12.921 -4.246 1.00 12.43 O ATOM 941 CB LEU A 401 8.089 -10.501 -2.357 1.00 53.12 C ATOM 942 CG LEU A 401 6.844 -9.653 -2.115 1.00 12.22 C ATOM 943 CD1 LEU A 401 7.233 -8.222 -1.829 1.00 0.42 C ATOM 944 CD2 LEU A 401 5.951 -9.694 -3.346 1.00 53.41 C ATOM 0 H LEU A 401 7.623 -11.921 -0.368 1.00 62.40 H new ATOM 0 HA LEU A 401 7.015 -12.187 -3.124 1.00 41.42 H new ATOM 0 HB2 LEU A 401 8.796 -10.313 -1.549 1.00 53.12 H new ATOM 0 HB3 LEU A 401 8.562 -10.163 -3.279 1.00 53.12 H new ATOM 0 HG LEU A 401 6.307 -10.055 -1.256 1.00 12.22 H new ATOM 0 HD11 LEU A 401 6.335 -7.628 -1.658 1.00 0.42 H new ATOM 0 HD12 LEU A 401 7.865 -8.187 -0.942 1.00 0.42 H new ATOM 0 HD13 LEU A 401 7.780 -7.816 -2.680 1.00 0.42 H new ATOM 0 HD21 LEU A 401 5.062 -9.088 -3.171 1.00 53.41 H new ATOM 0 HD22 LEU A 401 6.496 -9.300 -4.204 1.00 53.41 H new ATOM 0 HD23 LEU A 401 5.654 -10.724 -3.546 1.00 53.41 H new ATOM 1257 N TRP A 421 6.913 -3.317 -8.274 1.00 34.42 N ATOM 1258 CA TRP A 421 6.672 -4.581 -8.901 1.00 64.40 C ATOM 1259 C TRP A 421 5.175 -4.724 -9.221 1.00 42.22 C ATOM 1260 O TRP A 421 4.338 -4.023 -8.633 1.00 70.42 O ATOM 1261 CB TRP A 421 7.216 -5.755 -8.005 1.00 40.00 C ATOM 1262 CG TRP A 421 6.529 -5.958 -6.711 1.00 1.11 C ATOM 1263 CD1 TRP A 421 6.918 -5.501 -5.497 1.00 4.52 C ATOM 1264 CD2 TRP A 421 5.343 -6.713 -6.502 1.00 62.41 C ATOM 1265 NE1 TRP A 421 6.046 -5.932 -4.548 1.00 44.32 N ATOM 1266 CE2 TRP A 421 5.063 -6.674 -5.150 1.00 55.32 C ATOM 1267 CE3 TRP A 421 4.489 -7.414 -7.343 1.00 13.43 C ATOM 1268 CZ2 TRP A 421 3.962 -7.314 -4.607 1.00 41.45 C ATOM 1269 CZ3 TRP A 421 3.403 -8.046 -6.809 1.00 4.12 C ATOM 1270 CH2 TRP A 421 3.145 -7.995 -5.452 1.00 1.22 C ATOM 0 HA TRP A 421 7.215 -4.633 -9.845 1.00 64.40 H new ATOM 0 HB2 TRP A 421 7.152 -6.681 -8.577 1.00 40.00 H new ATOM 0 HB3 TRP A 421 8.273 -5.575 -7.808 1.00 40.00 H new ATOM 0 HD1 TRP A 421 7.788 -4.888 -5.312 1.00 4.52 H new ATOM 0 HE1 TRP A 421 6.112 -5.735 -3.549 1.00 44.32 H new ATOM 0 HE3 TRP A 421 4.681 -7.459 -8.405 1.00 13.43 H new ATOM 0 HZ2 TRP A 421 3.759 -7.273 -3.547 1.00 41.45 H new ATOM 0 HZ3 TRP A 421 2.735 -8.594 -7.457 1.00 4.12 H new ATOM 0 HH2 TRP A 421 2.279 -8.505 -5.057 1.00 1.22 H new ATOM 1281 N VAL A 422 4.849 -5.594 -10.160 1.00 72.42 N ATOM 1282 CA VAL A 422 3.468 -5.834 -10.567 1.00 21.51 C ATOM 1283 C VAL A 422 3.203 -7.336 -10.643 1.00 74.33 C ATOM 1284 O VAL A 422 4.138 -8.133 -10.774 1.00 43.13 O ATOM 1285 CB VAL A 422 3.125 -5.172 -11.948 1.00 54.12 C ATOM 1286 CG1 VAL A 422 3.232 -3.653 -11.876 1.00 30.24 C ATOM 1287 CG2 VAL A 422 4.022 -5.716 -13.063 1.00 11.35 C ATOM 0 H VAL A 422 5.533 -6.157 -10.665 1.00 72.42 H new ATOM 0 HA VAL A 422 2.827 -5.375 -9.814 1.00 21.51 H new ATOM 0 HB VAL A 422 2.093 -5.431 -12.183 1.00 54.12 H new ATOM 0 HG11 VAL A 422 2.988 -3.225 -12.848 1.00 30.24 H new ATOM 0 HG12 VAL A 422 2.536 -3.274 -11.128 1.00 30.24 H new ATOM 0 HG13 VAL A 422 4.249 -3.373 -11.600 1.00 30.24 H new ATOM 0 HG21 VAL A 422 3.760 -5.238 -14.007 1.00 11.35 H new ATOM 0 HG22 VAL A 422 5.065 -5.505 -12.827 1.00 11.35 H new ATOM 0 HG23 VAL A 422 3.881 -6.793 -13.150 1.00 11.35 H new ATOM 1297 N ILE A 423 1.961 -7.727 -10.559 1.00 62.03 N ATOM 1298 CA ILE A 423 1.614 -9.127 -10.612 1.00 22.23 C ATOM 1299 C ILE A 423 1.495 -9.574 -12.058 1.00 65.14 C ATOM 1300 O ILE A 423 0.814 -8.931 -12.857 1.00 30.14 O ATOM 1301 CB ILE A 423 0.286 -9.429 -9.852 1.00 40.04 C ATOM 1302 CG1 ILE A 423 0.431 -9.050 -8.375 1.00 4.34 C ATOM 1303 CG2 ILE A 423 -0.089 -10.906 -9.982 1.00 64.24 C ATOM 1304 CD1 ILE A 423 -0.819 -9.252 -7.548 1.00 44.44 C ATOM 0 H ILE A 423 1.167 -7.096 -10.453 1.00 62.03 H new ATOM 0 HA ILE A 423 2.410 -9.683 -10.117 1.00 22.23 H new ATOM 0 HB ILE A 423 -0.510 -8.833 -10.297 1.00 40.04 H new ATOM 0 HG12 ILE A 423 1.238 -9.639 -7.940 1.00 4.34 H new ATOM 0 HG13 ILE A 423 0.729 -8.004 -8.309 1.00 4.34 H new ATOM 0 HG21 ILE A 423 -1.018 -11.094 -9.444 1.00 64.24 H new ATOM 0 HG22 ILE A 423 -0.222 -11.156 -11.035 1.00 64.24 H new ATOM 0 HG23 ILE A 423 0.705 -11.522 -9.560 1.00 64.24 H new ATOM 0 HD11 ILE A 423 -0.624 -8.958 -6.517 1.00 44.44 H new ATOM 0 HD12 ILE A 423 -1.626 -8.641 -7.953 1.00 44.44 H new ATOM 0 HD13 ILE A 423 -1.109 -10.302 -7.578 1.00 44.44 H new