USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=14 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 359 SER OG : rot -89:sc= 1.25 USER MOD Set 1.2: A 365 MET CE :methyl -109:sc= -1.2 (180deg=-2.59!) USER MOD Single : A 342 ASN : amide:sc= 0.00292 K(o=0.0029,f=-0.73) USER MOD Single : A 348 SER OG : rot 180:sc= 0 USER MOD Single : A 349 TYR OH : rot 30:sc= 0 USER MOD Single : A 350 SER OG : rot 180:sc= 0 USER MOD Single : A 355 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0186) USER MOD Single : A 358 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 360 THR OG1 : rot -52:sc= 0.193 USER MOD Single : A 368 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 371 TYR OH : rot 180:sc= -0.0814 USER MOD Single : A 372 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 376 SER OG : rot 87:sc= 1.28 USER MOD Single : A 377 ASN : amide:sc= 0.606 K(o=0.61,f=0) USER MOD Single : A 380 TYR OH : rot 180:sc= 0 USER MOD Single : A 383 ASN : amide:sc= 0 X(o=0,f=-0.49) 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= -1.54! K(o=-1.5!,f=-0.072) USER MOD Single : A 390 SER OG : rot 48:sc= -1.01! USER MOD Single : A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 395 ASN : amide:sc= 1.13 K(o=1.1,f=-0.095) USER MOD Single : A 396 SER OG : rot 71:sc= 0.694 USER MOD Single : A 399 HIS : no HD1:sc= -0.146 K(o=-0.15,f=-0.72) USER MOD Single : A 400 ASN : amide:sc= -0.161 X(o=-0.16,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 342 -1.066 -15.400 10.777 1.00 51.14 N ATOM 2 CA ASN A 342 -0.702 -14.145 10.110 1.00 43.35 C ATOM 3 C ASN A 342 -0.962 -12.979 11.045 1.00 63.24 C ATOM 4 O ASN A 342 -1.919 -13.012 11.816 1.00 33.24 O ATOM 5 CB ASN A 342 -1.487 -13.981 8.809 1.00 62.21 C ATOM 6 CG ASN A 342 -1.252 -15.131 7.865 1.00 5.44 C ATOM 7 OD1 ASN A 342 -0.184 -15.725 7.853 1.00 71.23 O ATOM 8 ND2 ASN A 342 -2.238 -15.453 7.081 1.00 51.42 N ATOM 0 HA ASN A 342 0.359 -14.168 9.860 1.00 43.35 H new ATOM 0 HB2 ASN A 342 -2.551 -13.907 9.033 1.00 62.21 H new ATOM 0 HB3 ASN A 342 -1.197 -13.048 8.325 1.00 62.21 H new ATOM 0 HD21 ASN A 342 -2.136 -16.227 6.425 1.00 51.42 H new ATOM 0 HD22 ASN A 342 -3.114 -14.932 7.122 1.00 51.42 H new ATOM 17 N PRO A 343 -0.116 -11.922 10.989 1.00 15.20 N ATOM 18 CA PRO A 343 -0.202 -10.769 11.916 1.00 3.51 C ATOM 19 C PRO A 343 -1.561 -10.029 11.881 1.00 71.03 C ATOM 20 O PRO A 343 -2.081 -9.634 12.910 1.00 22.22 O ATOM 21 CB PRO A 343 0.936 -9.841 11.440 1.00 1.55 C ATOM 22 CG PRO A 343 1.253 -10.286 10.049 1.00 42.21 C ATOM 23 CD PRO A 343 1.005 -11.763 10.031 1.00 55.12 C ATOM 0 HA PRO A 343 -0.112 -11.095 12.952 1.00 3.51 H new ATOM 0 HB2 PRO A 343 0.625 -8.797 11.457 1.00 1.55 H new ATOM 0 HB3 PRO A 343 1.808 -9.924 12.088 1.00 1.55 H new ATOM 0 HG2 PRO A 343 0.624 -9.774 9.321 1.00 42.21 H new ATOM 0 HG3 PRO A 343 2.288 -10.059 9.791 1.00 42.21 H new ATOM 0 HD2 PRO A 343 0.738 -12.116 9.035 1.00 55.12 H new ATOM 0 HD3 PRO A 343 1.886 -12.324 10.343 1.00 55.12 H new ATOM 31 N TRP A 344 -2.113 -9.866 10.699 1.00 52.34 N ATOM 32 CA TRP A 344 -3.372 -9.143 10.516 1.00 34.21 C ATOM 33 C TRP A 344 -4.604 -10.019 10.797 1.00 14.43 C ATOM 34 O TRP A 344 -5.640 -9.515 11.233 1.00 32.42 O ATOM 35 CB TRP A 344 -3.443 -8.601 9.082 1.00 24.14 C ATOM 36 CG TRP A 344 -3.192 -9.664 8.046 1.00 3.20 C ATOM 37 CD1 TRP A 344 -4.056 -10.628 7.621 1.00 60.44 C ATOM 38 CD2 TRP A 344 -1.995 -9.857 7.293 1.00 33.14 C ATOM 39 NE1 TRP A 344 -3.449 -11.414 6.705 1.00 12.23 N ATOM 40 CE2 TRP A 344 -2.200 -10.958 6.470 1.00 63.54 C ATOM 41 CE3 TRP A 344 -0.777 -9.212 7.236 1.00 53.43 C ATOM 42 CZ2 TRP A 344 -1.238 -11.422 5.613 1.00 54.20 C ATOM 43 CZ3 TRP A 344 0.176 -9.674 6.378 1.00 44.53 C ATOM 44 CH2 TRP A 344 -0.063 -10.767 5.583 1.00 60.31 C ATOM 0 H TRP A 344 -1.711 -10.226 9.834 1.00 52.34 H new ATOM 0 HA TRP A 344 -3.387 -8.326 11.237 1.00 34.21 H new ATOM 0 HB2 TRP A 344 -4.425 -8.160 8.913 1.00 24.14 H new ATOM 0 HB3 TRP A 344 -2.710 -7.803 8.963 1.00 24.14 H new ATOM 0 HD1 TRP A 344 -5.073 -10.746 7.965 1.00 60.44 H new ATOM 0 HE1 TRP A 344 -3.870 -12.229 6.259 1.00 12.23 H new ATOM 0 HE3 TRP A 344 -0.581 -8.354 7.862 1.00 53.43 H new ATOM 0 HZ2 TRP A 344 -1.416 -12.282 4.984 1.00 54.20 H new ATOM 0 HZ3 TRP A 344 1.131 -9.174 6.323 1.00 44.53 H new ATOM 0 HH2 TRP A 344 0.713 -11.111 4.915 1.00 60.31 H new ATOM 55 N GLY A 345 -4.486 -11.313 10.549 1.00 14.54 N ATOM 56 CA GLY A 345 -5.617 -12.194 10.680 1.00 73.22 C ATOM 57 C GLY A 345 -5.413 -13.509 9.938 1.00 4.22 C ATOM 58 O GLY A 345 -4.384 -14.173 10.118 1.00 21.14 O ATOM 0 H GLY A 345 -3.620 -11.767 10.258 1.00 14.54 H new ATOM 0 HA2 GLY A 345 -5.795 -12.399 11.736 1.00 73.22 H new ATOM 0 HA3 GLY A 345 -6.508 -11.697 10.297 1.00 73.22 H new ATOM 62 N ALA A 346 -6.359 -13.859 9.065 1.00 11.21 N ATOM 63 CA ALA A 346 -6.342 -15.157 8.397 1.00 24.11 C ATOM 64 C ALA A 346 -6.031 -15.101 6.898 1.00 61.42 C ATOM 65 O ALA A 346 -5.576 -16.102 6.336 1.00 70.54 O ATOM 66 CB ALA A 346 -7.639 -15.900 8.631 1.00 74.41 C ATOM 0 H ALA A 346 -7.144 -13.262 8.806 1.00 11.21 H new ATOM 0 HA ALA A 346 -5.513 -15.698 8.853 1.00 24.11 H new ATOM 0 HB1 ALA A 346 -7.603 -16.864 8.124 1.00 74.41 H new ATOM 0 HB2 ALA A 346 -7.780 -16.058 9.700 1.00 74.41 H new ATOM 0 HB3 ALA A 346 -8.470 -15.314 8.238 1.00 74.41 H new ATOM 72 N GLU A 347 -6.287 -13.971 6.229 1.00 74.33 N ATOM 73 CA GLU A 347 -5.946 -13.864 4.795 1.00 4.14 C ATOM 74 C GLU A 347 -4.458 -14.017 4.605 1.00 70.43 C ATOM 75 O GLU A 347 -3.699 -13.746 5.514 1.00 53.53 O ATOM 76 CB GLU A 347 -6.444 -12.560 4.172 1.00 64.10 C ATOM 77 CG GLU A 347 -7.952 -12.456 4.118 1.00 4.44 C ATOM 78 CD GLU A 347 -8.423 -11.233 3.376 1.00 5.45 C ATOM 79 OE1 GLU A 347 -8.453 -11.267 2.119 1.00 73.33 O ATOM 80 OE2 GLU A 347 -8.778 -10.233 4.027 1.00 53.12 O ATOM 0 H GLU A 347 -6.715 -13.139 6.636 1.00 74.33 H new ATOM 0 HA GLU A 347 -6.459 -14.673 4.275 1.00 4.14 H new ATOM 0 HB2 GLU A 347 -6.050 -11.720 4.743 1.00 64.10 H new ATOM 0 HB3 GLU A 347 -6.045 -12.474 3.161 1.00 64.10 H new ATOM 0 HG2 GLU A 347 -8.357 -13.346 3.637 1.00 4.44 H new ATOM 0 HG3 GLU A 347 -8.347 -12.435 5.134 1.00 4.44 H new ATOM 87 N SER A 348 -4.043 -14.456 3.466 1.00 62.44 N ATOM 88 CA SER A 348 -2.651 -14.698 3.240 1.00 14.32 C ATOM 89 C SER A 348 -1.964 -13.419 2.835 1.00 21.14 C ATOM 90 O SER A 348 -2.636 -12.448 2.452 1.00 62.32 O ATOM 91 CB SER A 348 -2.471 -15.784 2.183 1.00 31.02 C ATOM 92 OG SER A 348 -3.074 -17.008 2.607 1.00 5.32 O ATOM 0 H SER A 348 -4.648 -14.657 2.670 1.00 62.44 H new ATOM 0 HA SER A 348 -2.192 -15.050 4.164 1.00 14.32 H new ATOM 0 HB2 SER A 348 -2.917 -15.460 1.243 1.00 31.02 H new ATOM 0 HB3 SER A 348 -1.409 -15.942 1.995 1.00 31.02 H new ATOM 0 HG SER A 348 -2.949 -17.691 1.915 1.00 5.32 H new ATOM 98 N TYR A 349 -0.640 -13.406 2.938 1.00 31.25 N ATOM 99 CA TYR A 349 0.152 -12.250 2.569 1.00 43.00 C ATOM 100 C TYR A 349 -0.141 -11.868 1.167 1.00 2.24 C ATOM 101 O TYR A 349 -0.690 -10.817 0.935 1.00 4.24 O ATOM 102 CB TYR A 349 1.660 -12.506 2.739 1.00 45.33 C ATOM 103 CG TYR A 349 2.136 -12.666 4.162 1.00 45.01 C ATOM 104 CD1 TYR A 349 1.792 -13.778 4.925 1.00 1.23 C ATOM 105 CD2 TYR A 349 2.932 -11.691 4.745 1.00 73.42 C ATOM 106 CE1 TYR A 349 2.228 -13.908 6.226 1.00 62.30 C ATOM 107 CE2 TYR A 349 3.371 -11.815 6.044 1.00 72.33 C ATOM 108 CZ TYR A 349 3.019 -12.926 6.781 1.00 34.11 C ATOM 109 OH TYR A 349 3.451 -13.052 8.081 1.00 44.45 O ATOM 0 H TYR A 349 -0.092 -14.196 3.279 1.00 31.25 H new ATOM 0 HA TYR A 349 -0.120 -11.435 3.239 1.00 43.00 H new ATOM 0 HB2 TYR A 349 1.923 -13.406 2.183 1.00 45.33 H new ATOM 0 HB3 TYR A 349 2.205 -11.679 2.283 1.00 45.33 H new ATOM 0 HD1 TYR A 349 1.174 -14.550 4.491 1.00 1.23 H new ATOM 0 HD2 TYR A 349 3.212 -10.820 4.171 1.00 73.42 H new ATOM 0 HE1 TYR A 349 1.951 -14.775 6.807 1.00 62.30 H new ATOM 0 HE2 TYR A 349 3.988 -11.046 6.484 1.00 72.33 H new ATOM 0 HH TYR A 349 3.545 -14.002 8.304 1.00 44.45 H new ATOM 119 N SER A 350 0.184 -12.745 0.236 1.00 32.00 N ATOM 120 CA SER A 350 -0.045 -12.485 -1.173 1.00 61.25 C ATOM 121 C SER A 350 -1.523 -12.083 -1.479 1.00 22.30 C ATOM 122 O SER A 350 -1.770 -11.315 -2.403 1.00 65.33 O ATOM 123 CB SER A 350 0.411 -13.671 -2.015 1.00 25.52 C ATOM 124 OG SER A 350 1.808 -13.962 -1.795 1.00 75.12 O ATOM 0 H SER A 350 0.611 -13.650 0.432 1.00 32.00 H new ATOM 0 HA SER A 350 0.559 -11.621 -1.448 1.00 61.25 H new ATOM 0 HB2 SER A 350 -0.189 -14.547 -1.769 1.00 25.52 H new ATOM 0 HB3 SER A 350 0.243 -13.457 -3.071 1.00 25.52 H new ATOM 0 HG SER A 350 2.073 -14.728 -2.346 1.00 75.12 H new ATOM 130 N ASP A 351 -2.485 -12.584 -0.677 1.00 4.32 N ATOM 131 CA ASP A 351 -3.903 -12.179 -0.822 1.00 34.00 C ATOM 132 C ASP A 351 -4.092 -10.706 -0.501 1.00 53.13 C ATOM 133 O ASP A 351 -4.650 -9.949 -1.308 1.00 41.53 O ATOM 134 CB ASP A 351 -4.866 -13.039 0.032 1.00 4.14 C ATOM 135 CG ASP A 351 -5.131 -14.403 -0.553 1.00 64.43 C ATOM 136 OD1 ASP A 351 -5.978 -14.519 -1.451 1.00 51.55 O ATOM 137 OD2 ASP A 351 -4.514 -15.378 -0.118 1.00 13.14 O ATOM 0 H ASP A 351 -2.313 -13.260 0.068 1.00 4.32 H new ATOM 0 HA ASP A 351 -4.159 -12.350 -1.868 1.00 34.00 H new ATOM 0 HB2 ASP A 351 -4.447 -13.156 1.031 1.00 4.14 H new ATOM 0 HB3 ASP A 351 -5.812 -12.510 0.143 1.00 4.14 H new ATOM 142 N LEU A 352 -3.621 -10.283 0.663 1.00 42.35 N ATOM 143 CA LEU A 352 -3.710 -8.884 1.033 1.00 20.21 C ATOM 144 C LEU A 352 -2.771 -7.995 0.233 1.00 63.22 C ATOM 145 O LEU A 352 -3.106 -6.848 -0.064 1.00 22.51 O ATOM 146 CB LEU A 352 -3.477 -8.666 2.500 1.00 12.24 C ATOM 147 CG LEU A 352 -4.533 -9.151 3.470 1.00 54.34 C ATOM 148 CD1 LEU A 352 -4.147 -8.711 4.836 1.00 60.01 C ATOM 149 CD2 LEU A 352 -5.890 -8.594 3.110 1.00 44.14 C ATOM 0 H LEU A 352 -3.178 -10.883 1.359 1.00 42.35 H new ATOM 0 HA LEU A 352 -4.733 -8.596 0.793 1.00 20.21 H new ATOM 0 HB2 LEU A 352 -2.536 -9.149 2.763 1.00 12.24 H new ATOM 0 HB3 LEU A 352 -3.343 -7.596 2.661 1.00 12.24 H new ATOM 0 HG LEU A 352 -4.598 -10.238 3.426 1.00 54.34 H new ATOM 0 HD11 LEU A 352 -4.895 -9.050 5.552 1.00 60.01 H new ATOM 0 HD12 LEU A 352 -3.177 -9.137 5.095 1.00 60.01 H new ATOM 0 HD13 LEU A 352 -4.085 -7.623 4.864 1.00 60.01 H new ATOM 0 HD21 LEU A 352 -6.632 -8.956 3.821 1.00 44.14 H new ATOM 0 HD22 LEU A 352 -5.857 -7.505 3.143 1.00 44.14 H new ATOM 0 HD23 LEU A 352 -6.161 -8.918 2.105 1.00 44.14 H new ATOM 161 N ILE A 353 -1.596 -8.516 -0.111 1.00 50.22 N ATOM 162 CA ILE A 353 -0.636 -7.763 -0.912 1.00 25.03 C ATOM 163 C ILE A 353 -1.275 -7.441 -2.255 1.00 14.43 C ATOM 164 O ILE A 353 -1.105 -6.349 -2.792 1.00 72.43 O ATOM 165 CB ILE A 353 0.686 -8.556 -1.135 1.00 5.03 C ATOM 166 CG1 ILE A 353 1.374 -8.870 0.200 1.00 32.33 C ATOM 167 CG2 ILE A 353 1.626 -7.765 -2.017 1.00 33.03 C ATOM 168 CD1 ILE A 353 2.566 -9.794 0.068 1.00 70.42 C ATOM 0 H ILE A 353 -1.287 -9.452 0.151 1.00 50.22 H new ATOM 0 HA ILE A 353 -0.379 -6.849 -0.376 1.00 25.03 H new ATOM 0 HB ILE A 353 0.434 -9.497 -1.624 1.00 5.03 H new ATOM 0 HG12 ILE A 353 1.698 -7.936 0.660 1.00 32.33 H new ATOM 0 HG13 ILE A 353 0.648 -9.322 0.875 1.00 32.33 H new ATOM 0 HG21 ILE A 353 2.547 -8.329 -2.166 1.00 33.03 H new ATOM 0 HG22 ILE A 353 1.152 -7.582 -2.982 1.00 33.03 H new ATOM 0 HG23 ILE A 353 1.857 -6.813 -1.540 1.00 33.03 H new ATOM 0 HD11 ILE A 353 3.000 -9.970 1.052 1.00 70.42 H new ATOM 0 HD12 ILE A 353 2.245 -10.743 -0.362 1.00 70.42 H new ATOM 0 HD13 ILE A 353 3.312 -9.335 -0.581 1.00 70.42 H new ATOM 180 N ALA A 354 -2.035 -8.401 -2.774 1.00 24.34 N ATOM 181 CA ALA A 354 -2.777 -8.202 -3.998 1.00 43.11 C ATOM 182 C ALA A 354 -3.740 -7.033 -3.864 1.00 30.32 C ATOM 183 O ALA A 354 -3.834 -6.220 -4.771 1.00 61.43 O ATOM 184 CB ALA A 354 -3.513 -9.461 -4.417 1.00 23.34 C ATOM 0 H ALA A 354 -2.148 -9.325 -2.358 1.00 24.34 H new ATOM 0 HA ALA A 354 -2.057 -7.966 -4.782 1.00 43.11 H new ATOM 0 HB1 ALA A 354 -4.059 -9.273 -5.341 1.00 23.34 H new ATOM 0 HB2 ALA A 354 -2.795 -10.266 -4.577 1.00 23.34 H new ATOM 0 HB3 ALA A 354 -4.214 -9.751 -3.634 1.00 23.34 H new ATOM 190 N LYS A 355 -4.434 -6.930 -2.711 1.00 45.25 N ATOM 191 CA LYS A 355 -5.362 -5.811 -2.481 1.00 52.12 C ATOM 192 C LYS A 355 -4.613 -4.492 -2.470 1.00 63.31 C ATOM 193 O LYS A 355 -5.145 -3.471 -2.917 1.00 11.24 O ATOM 194 CB LYS A 355 -6.126 -5.908 -1.165 1.00 15.12 C ATOM 195 CG LYS A 355 -7.006 -7.073 -0.960 1.00 31.53 C ATOM 196 CD LYS A 355 -7.774 -6.814 0.299 1.00 41.15 C ATOM 197 CE LYS A 355 -8.519 -7.995 0.768 1.00 75.41 C ATOM 198 NZ LYS A 355 -9.484 -8.516 -0.219 1.00 72.14 N ATOM 0 H LYS A 355 -4.370 -7.596 -1.941 1.00 45.25 H new ATOM 0 HA LYS A 355 -6.078 -5.863 -3.301 1.00 52.12 H new ATOM 0 HB2 LYS A 355 -5.398 -5.893 -0.354 1.00 15.12 H new ATOM 0 HB3 LYS A 355 -6.734 -5.009 -1.065 1.00 15.12 H new ATOM 0 HG2 LYS A 355 -7.681 -7.202 -1.806 1.00 31.53 H new ATOM 0 HG3 LYS A 355 -6.422 -7.989 -0.876 1.00 31.53 H new ATOM 0 HD2 LYS A 355 -7.085 -6.492 1.079 1.00 41.15 H new ATOM 0 HD3 LYS A 355 -8.472 -5.993 0.131 1.00 41.15 H new ATOM 0 HE2 LYS A 355 -7.811 -8.784 1.022 1.00 75.41 H new ATOM 0 HE3 LYS A 355 -9.052 -7.738 1.684 1.00 75.41 H new ATOM 0 HZ1 LYS A 355 -10.031 -9.291 0.206 1.00 72.14 H new ATOM 0 HZ2 LYS A 355 -10.130 -7.754 -0.508 1.00 72.14 H new ATOM 0 HZ3 LYS A 355 -8.972 -8.870 -1.052 1.00 72.14 H new ATOM 212 N ALA A 356 -3.400 -4.504 -1.934 1.00 21.11 N ATOM 213 CA ALA A 356 -2.579 -3.314 -1.919 1.00 71.52 C ATOM 214 C ALA A 356 -2.304 -2.899 -3.336 1.00 74.33 C ATOM 215 O ALA A 356 -2.583 -1.769 -3.720 1.00 54.24 O ATOM 216 CB ALA A 356 -1.284 -3.534 -1.145 1.00 42.41 C ATOM 0 H ALA A 356 -2.969 -5.324 -1.507 1.00 21.11 H new ATOM 0 HA ALA A 356 -3.115 -2.517 -1.404 1.00 71.52 H new ATOM 0 HB1 ALA A 356 -0.694 -2.618 -1.156 1.00 42.41 H new ATOM 0 HB2 ALA A 356 -1.517 -3.803 -0.115 1.00 42.41 H new ATOM 0 HB3 ALA A 356 -0.714 -4.338 -1.610 1.00 42.41 H new ATOM 222 N LEU A 357 -1.818 -3.844 -4.129 1.00 50.02 N ATOM 223 CA LEU A 357 -1.558 -3.626 -5.552 1.00 13.34 C ATOM 224 C LEU A 357 -2.811 -3.106 -6.254 1.00 73.03 C ATOM 225 O LEU A 357 -2.728 -2.230 -7.103 1.00 22.43 O ATOM 226 CB LEU A 357 -1.098 -4.942 -6.229 1.00 51.44 C ATOM 227 CG LEU A 357 0.398 -5.281 -6.232 1.00 64.12 C ATOM 228 CD1 LEU A 357 1.132 -4.364 -7.184 1.00 61.33 C ATOM 229 CD2 LEU A 357 0.993 -5.169 -4.848 1.00 51.40 C ATOM 0 H LEU A 357 -1.592 -4.785 -3.807 1.00 50.02 H new ATOM 0 HA LEU A 357 -0.766 -2.883 -5.638 1.00 13.34 H new ATOM 0 HB2 LEU A 357 -1.623 -5.765 -5.744 1.00 51.44 H new ATOM 0 HB3 LEU A 357 -1.434 -4.916 -7.266 1.00 51.44 H new ATOM 0 HG LEU A 357 0.508 -6.314 -6.562 1.00 64.12 H new ATOM 0 HD11 LEU A 357 2.194 -4.611 -7.181 1.00 61.33 H new ATOM 0 HD12 LEU A 357 0.733 -4.490 -8.191 1.00 61.33 H new ATOM 0 HD13 LEU A 357 0.999 -3.329 -6.868 1.00 61.33 H new ATOM 0 HD21 LEU A 357 2.054 -5.416 -4.887 1.00 51.40 H new ATOM 0 HD22 LEU A 357 0.871 -4.150 -4.481 1.00 51.40 H new ATOM 0 HD23 LEU A 357 0.484 -5.860 -4.176 1.00 51.40 H new ATOM 241 N LYS A 358 -3.974 -3.637 -5.861 1.00 64.33 N ATOM 242 CA LYS A 358 -5.259 -3.259 -6.426 1.00 43.41 C ATOM 243 C LYS A 358 -5.571 -1.762 -6.331 1.00 10.14 C ATOM 244 O LYS A 358 -6.410 -1.255 -7.086 1.00 22.22 O ATOM 245 CB LYS A 358 -6.381 -4.043 -5.782 1.00 62.32 C ATOM 246 CG LYS A 358 -6.381 -5.494 -6.121 1.00 43.13 C ATOM 247 CD LYS A 358 -6.634 -5.747 -7.585 1.00 4.35 C ATOM 248 CE LYS A 358 -6.552 -7.220 -7.872 1.00 5.31 C ATOM 249 NZ LYS A 358 -6.894 -7.543 -9.271 1.00 45.43 N ATOM 0 H LYS A 358 -4.042 -4.348 -5.133 1.00 64.33 H new ATOM 0 HA LYS A 358 -5.185 -3.500 -7.487 1.00 43.41 H new ATOM 0 HB2 LYS A 358 -6.312 -3.934 -4.700 1.00 62.32 H new ATOM 0 HB3 LYS A 358 -7.334 -3.610 -6.086 1.00 62.32 H new ATOM 0 HG2 LYS A 358 -5.421 -5.929 -5.842 1.00 43.13 H new ATOM 0 HG3 LYS A 358 -7.145 -6.001 -5.531 1.00 43.13 H new ATOM 0 HD2 LYS A 358 -7.617 -5.368 -7.864 1.00 4.35 H new ATOM 0 HD3 LYS A 358 -5.902 -5.209 -8.188 1.00 4.35 H new ATOM 0 HE2 LYS A 358 -5.543 -7.573 -7.657 1.00 5.31 H new ATOM 0 HE3 LYS A 358 -7.226 -7.755 -7.204 1.00 5.31 H new ATOM 0 HZ1 LYS A 358 -6.822 -8.570 -9.418 1.00 45.43 H new ATOM 0 HZ2 LYS A 358 -7.866 -7.232 -9.472 1.00 45.43 H new ATOM 0 HZ3 LYS A 358 -6.235 -7.055 -9.911 1.00 45.43 H new ATOM 263 N SER A 359 -4.908 -1.054 -5.422 1.00 1.30 N ATOM 264 CA SER A 359 -5.174 0.369 -5.234 1.00 34.12 C ATOM 265 C SER A 359 -4.641 1.217 -6.426 1.00 51.24 C ATOM 266 O SER A 359 -5.112 2.330 -6.672 1.00 31.23 O ATOM 267 CB SER A 359 -4.590 0.850 -3.887 1.00 61.43 C ATOM 268 OG SER A 359 -3.169 0.756 -3.864 1.00 35.15 O ATOM 0 H SER A 359 -4.189 -1.437 -4.809 1.00 1.30 H new ATOM 0 HA SER A 359 -6.254 0.511 -5.207 1.00 34.12 H new ATOM 0 HB2 SER A 359 -4.889 1.883 -3.709 1.00 61.43 H new ATOM 0 HB3 SER A 359 -5.007 0.253 -3.076 1.00 61.43 H new ATOM 0 HG SER A 359 -2.905 -0.131 -3.541 1.00 35.15 H new ATOM 274 N THR A 360 -3.691 0.669 -7.178 1.00 63.50 N ATOM 275 CA THR A 360 -3.089 1.377 -8.308 1.00 4.35 C ATOM 276 C THR A 360 -2.590 0.315 -9.330 1.00 42.20 C ATOM 277 O THR A 360 -1.595 0.498 -10.043 1.00 10.33 O ATOM 278 CB THR A 360 -1.901 2.259 -7.783 1.00 2.33 C ATOM 279 OG1 THR A 360 -1.381 3.114 -8.825 1.00 13.40 O ATOM 280 CG2 THR A 360 -0.780 1.384 -7.238 1.00 35.13 C ATOM 0 H THR A 360 -3.318 -0.268 -7.026 1.00 63.50 H new ATOM 0 HA THR A 360 -3.811 2.032 -8.796 1.00 4.35 H new ATOM 0 HB THR A 360 -2.291 2.885 -6.981 1.00 2.33 H new ATOM 0 HG1 THR A 360 -1.169 2.575 -9.615 1.00 13.40 H new ATOM 0 HG21 THR A 360 0.033 2.015 -6.880 1.00 35.13 H new ATOM 0 HG22 THR A 360 -1.159 0.778 -6.415 1.00 35.13 H new ATOM 0 HG23 THR A 360 -0.411 0.731 -8.029 1.00 35.13 H new ATOM 288 N PHE A 361 -3.378 -0.737 -9.455 1.00 34.01 N ATOM 289 CA PHE A 361 -3.023 -1.955 -10.200 1.00 30.40 C ATOM 290 C PHE A 361 -2.812 -1.685 -11.694 1.00 53.11 C ATOM 291 O PHE A 361 -2.205 -2.491 -12.402 1.00 12.23 O ATOM 292 CB PHE A 361 -4.136 -2.975 -10.019 1.00 61.13 C ATOM 293 CG PHE A 361 -3.700 -4.408 -10.150 1.00 42.25 C ATOM 294 CD1 PHE A 361 -3.712 -5.067 -11.364 1.00 45.02 C ATOM 295 CD2 PHE A 361 -3.295 -5.101 -9.027 1.00 45.32 C ATOM 296 CE1 PHE A 361 -3.320 -6.389 -11.447 1.00 51.45 C ATOM 297 CE2 PHE A 361 -2.910 -6.409 -9.098 1.00 74.00 C ATOM 298 CZ PHE A 361 -2.919 -7.062 -10.310 1.00 70.10 C ATOM 0 H PHE A 361 -4.307 -0.780 -9.036 1.00 34.01 H new ATOM 0 HA PHE A 361 -2.079 -2.331 -9.805 1.00 30.40 H new ATOM 0 HB2 PHE A 361 -4.584 -2.834 -9.035 1.00 61.13 H new ATOM 0 HB3 PHE A 361 -4.915 -2.777 -10.755 1.00 61.13 H new ATOM 0 HD1 PHE A 361 -4.030 -4.545 -12.254 1.00 45.02 H new ATOM 0 HD2 PHE A 361 -3.282 -4.598 -8.072 1.00 45.32 H new ATOM 0 HE1 PHE A 361 -3.327 -6.896 -12.401 1.00 51.45 H new ATOM 0 HE2 PHE A 361 -2.599 -6.931 -8.205 1.00 74.00 H new ATOM 0 HZ PHE A 361 -2.614 -8.096 -10.371 1.00 70.10 H new ATOM 308 N ASP A 362 -3.289 -0.555 -12.153 1.00 70.45 N ATOM 309 CA ASP A 362 -3.179 -0.187 -13.569 1.00 44.52 C ATOM 310 C ASP A 362 -1.783 0.312 -13.892 1.00 20.14 C ATOM 311 O ASP A 362 -1.420 0.472 -15.061 1.00 15.25 O ATOM 312 CB ASP A 362 -4.221 0.865 -13.960 1.00 12.25 C ATOM 313 CG ASP A 362 -4.114 2.135 -13.150 1.00 72.33 C ATOM 314 OD1 ASP A 362 -4.621 2.158 -12.013 1.00 75.33 O ATOM 315 OD2 ASP A 362 -3.542 3.131 -13.644 1.00 73.01 O ATOM 0 H ASP A 362 -3.762 0.139 -11.574 1.00 70.45 H new ATOM 0 HA ASP A 362 -3.373 -1.087 -14.153 1.00 44.52 H new ATOM 0 HB2 ASP A 362 -4.107 1.105 -15.017 1.00 12.25 H new ATOM 0 HB3 ASP A 362 -5.218 0.444 -13.834 1.00 12.25 H new ATOM 320 N GLY A 363 -1.014 0.545 -12.873 1.00 15.04 N ATOM 321 CA GLY A 363 0.339 0.946 -13.051 1.00 42.41 C ATOM 322 C GLY A 363 1.256 -0.046 -12.409 1.00 20.22 C ATOM 323 O GLY A 363 1.524 -1.119 -12.970 1.00 64.41 O ATOM 0 H GLY A 363 -1.309 0.462 -11.900 1.00 15.04 H new ATOM 0 HA2 GLY A 363 0.566 1.028 -14.114 1.00 42.41 H new ATOM 0 HA3 GLY A 363 0.495 1.933 -12.615 1.00 42.41 H new ATOM 327 N ARG A 364 1.725 0.292 -11.248 1.00 65.01 N ATOM 328 CA ARG A 364 2.592 -0.549 -10.465 1.00 33.10 C ATOM 329 C ARG A 364 2.513 -0.066 -9.051 1.00 11.11 C ATOM 330 O ARG A 364 2.079 1.060 -8.824 1.00 51.40 O ATOM 331 CB ARG A 364 4.070 -0.482 -10.933 1.00 73.54 C ATOM 332 CG ARG A 364 4.779 0.875 -10.733 1.00 12.33 C ATOM 333 CD ARG A 364 4.299 1.967 -11.670 1.00 22.50 C ATOM 334 NE ARG A 364 4.598 1.656 -13.069 1.00 1.04 N ATOM 335 CZ ARG A 364 4.847 2.567 -14.014 1.00 21.15 C ATOM 336 NH1 ARG A 364 4.802 3.867 -13.724 1.00 43.34 N ATOM 337 NH2 ARG A 364 5.136 2.171 -15.247 1.00 41.04 N ATOM 0 H ARG A 364 1.512 1.184 -10.802 1.00 65.01 H new ATOM 0 HA ARG A 364 2.268 -1.584 -10.573 1.00 33.10 H new ATOM 0 HB2 ARG A 364 4.635 -1.247 -10.400 1.00 73.54 H new ATOM 0 HB3 ARG A 364 4.108 -0.737 -11.992 1.00 73.54 H new ATOM 0 HG2 ARG A 364 4.631 1.202 -9.704 1.00 12.33 H new ATOM 0 HG3 ARG A 364 5.851 0.737 -10.872 1.00 12.33 H new ATOM 0 HD2 ARG A 364 3.224 2.102 -11.550 1.00 22.50 H new ATOM 0 HD3 ARG A 364 4.771 2.911 -11.399 1.00 22.50 H new ATOM 0 HE ARG A 364 4.618 0.673 -13.342 1.00 1.04 H new ATOM 0 HH11 ARG A 364 4.577 4.171 -12.777 1.00 43.34 H new ATOM 0 HH12 ARG A 364 4.993 4.558 -14.449 1.00 43.34 H new ATOM 0 HH21 ARG A 364 5.167 1.176 -15.469 1.00 41.04 H new ATOM 0 HH22 ARG A 364 5.327 2.862 -15.973 1.00 41.04 H new ATOM 351 N MET A 365 2.914 -0.857 -8.109 1.00 32.13 N ATOM 352 CA MET A 365 2.934 -0.365 -6.771 1.00 74.05 C ATOM 353 C MET A 365 4.318 -0.504 -6.260 1.00 72.21 C ATOM 354 O MET A 365 4.993 -1.508 -6.529 1.00 13.31 O ATOM 355 CB MET A 365 1.962 -1.102 -5.857 1.00 75.11 C ATOM 356 CG MET A 365 1.600 -0.317 -4.626 1.00 60.34 C ATOM 357 SD MET A 365 0.390 -1.132 -3.612 1.00 60.12 S ATOM 358 CE MET A 365 0.031 0.158 -2.438 1.00 2.52 C ATOM 0 H MET A 365 3.224 -1.821 -8.235 1.00 32.13 H new ATOM 0 HA MET A 365 2.615 0.677 -6.778 1.00 74.05 H new ATOM 0 HB2 MET A 365 1.054 -1.333 -6.413 1.00 75.11 H new ATOM 0 HB3 MET A 365 2.403 -2.053 -5.558 1.00 75.11 H new ATOM 0 HG2 MET A 365 2.500 -0.141 -4.037 1.00 60.34 H new ATOM 0 HG3 MET A 365 1.218 0.659 -4.924 1.00 60.34 H new ATOM 0 HE1 MET A 365 0.446 -0.109 -1.466 1.00 2.52 H new ATOM 0 HE2 MET A 365 0.476 1.093 -2.778 1.00 2.52 H new ATOM 0 HE3 MET A 365 -1.049 0.280 -2.351 1.00 2.52 H new ATOM 368 N ARG A 366 4.771 0.486 -5.580 1.00 41.11 N ATOM 369 CA ARG A 366 6.055 0.448 -5.013 1.00 22.03 C ATOM 370 C ARG A 366 6.032 -0.369 -3.774 1.00 63.44 C ATOM 371 O ARG A 366 5.021 -0.401 -3.052 1.00 12.40 O ATOM 372 CB ARG A 366 6.532 1.821 -4.765 1.00 1.20 C ATOM 373 CG ARG A 366 6.791 2.528 -6.060 1.00 31.33 C ATOM 374 CD ARG A 366 7.075 3.944 -5.839 1.00 31.13 C ATOM 375 NE ARG A 366 5.869 4.650 -5.396 1.00 54.53 N ATOM 376 CZ ARG A 366 5.763 5.959 -5.166 1.00 51.42 C ATOM 377 NH1 ARG A 366 6.822 6.746 -5.279 1.00 4.33 N ATOM 378 NH2 ARG A 366 4.587 6.471 -4.809 1.00 32.54 N ATOM 0 H ARG A 366 4.253 1.347 -5.404 1.00 41.11 H new ATOM 0 HA ARG A 366 6.754 -0.022 -5.704 1.00 22.03 H new ATOM 0 HB2 ARG A 366 5.790 2.371 -4.186 1.00 1.20 H new ATOM 0 HB3 ARG A 366 7.445 1.793 -4.170 1.00 1.20 H new ATOM 0 HG2 ARG A 366 7.633 2.061 -6.571 1.00 31.33 H new ATOM 0 HG3 ARG A 366 5.925 2.425 -6.713 1.00 31.33 H new ATOM 0 HD2 ARG A 366 7.860 4.050 -5.091 1.00 31.13 H new ATOM 0 HD3 ARG A 366 7.448 4.393 -6.759 1.00 31.13 H new ATOM 0 HE ARG A 366 5.032 4.086 -5.250 1.00 54.53 H new ATOM 0 HH11 ARG A 366 7.725 6.351 -5.543 1.00 4.33 H new ATOM 0 HH12 ARG A 366 6.735 7.747 -5.102 1.00 4.33 H new ATOM 0 HH21 ARG A 366 3.774 5.863 -4.713 1.00 32.54 H new ATOM 0 HH22 ARG A 366 4.499 7.472 -4.632 1.00 32.54 H new ATOM 392 N LEU A 367 7.111 -1.025 -3.524 1.00 55.25 N ATOM 393 CA LEU A 367 7.233 -1.951 -2.433 1.00 11.10 C ATOM 394 C LEU A 367 6.985 -1.275 -1.072 1.00 51.21 C ATOM 395 O LEU A 367 6.379 -1.870 -0.180 1.00 64.44 O ATOM 396 CB LEU A 367 8.573 -2.683 -2.579 1.00 35.32 C ATOM 397 CG LEU A 367 8.977 -3.761 -1.571 1.00 30.02 C ATOM 398 CD1 LEU A 367 7.811 -4.675 -1.221 1.00 61.14 C ATOM 399 CD2 LEU A 367 10.070 -4.592 -2.225 1.00 23.31 C ATOM 0 H LEU A 367 7.960 -0.936 -4.082 1.00 55.25 H new ATOM 0 HA LEU A 367 6.450 -2.708 -2.469 1.00 11.10 H new ATOM 0 HB2 LEU A 367 8.583 -3.144 -3.566 1.00 35.32 H new ATOM 0 HB3 LEU A 367 9.357 -1.926 -2.573 1.00 35.32 H new ATOM 0 HG LEU A 367 9.311 -3.286 -0.649 1.00 30.02 H new ATOM 0 HD11 LEU A 367 8.140 -5.426 -0.503 1.00 61.14 H new ATOM 0 HD12 LEU A 367 7.004 -4.085 -0.785 1.00 61.14 H new ATOM 0 HD13 LEU A 367 7.452 -5.169 -2.124 1.00 61.14 H new ATOM 0 HD21 LEU A 367 10.390 -5.376 -1.539 1.00 23.31 H new ATOM 0 HD22 LEU A 367 9.686 -5.044 -3.139 1.00 23.31 H new ATOM 0 HD23 LEU A 367 10.919 -3.952 -2.466 1.00 23.31 H new ATOM 411 N ASN A 368 7.403 -0.029 -0.943 1.00 13.42 N ATOM 412 CA ASN A 368 7.121 0.755 0.263 1.00 43.30 C ATOM 413 C ASN A 368 5.641 1.114 0.377 1.00 23.42 C ATOM 414 O ASN A 368 5.090 1.134 1.477 1.00 75.41 O ATOM 415 CB ASN A 368 8.002 2.008 0.350 1.00 12.52 C ATOM 416 CG ASN A 368 9.461 1.704 0.679 1.00 64.25 C ATOM 417 OD1 ASN A 368 9.989 0.624 0.374 1.00 13.03 O ATOM 418 ND2 ASN A 368 10.127 2.649 1.294 1.00 15.25 N ATOM 0 H ASN A 368 7.939 0.469 -1.654 1.00 13.42 H new ATOM 0 HA ASN A 368 7.370 0.120 1.113 1.00 43.30 H new ATOM 0 HB2 ASN A 368 7.955 2.542 -0.599 1.00 12.52 H new ATOM 0 HB3 ASN A 368 7.597 2.675 1.111 1.00 12.52 H new ATOM 0 HD21 ASN A 368 11.108 2.507 1.535 1.00 15.25 H new ATOM 0 HD22 ASN A 368 9.665 3.527 1.532 1.00 15.25 H new ATOM 425 N GLU A 369 4.985 1.351 -0.765 1.00 51.12 N ATOM 426 CA GLU A 369 3.561 1.714 -0.773 1.00 21.24 C ATOM 427 C GLU A 369 2.725 0.566 -0.263 1.00 52.42 C ATOM 428 O GLU A 369 1.759 0.770 0.459 1.00 12.43 O ATOM 429 CB GLU A 369 3.089 2.110 -2.159 1.00 1.31 C ATOM 430 CG GLU A 369 3.762 3.329 -2.722 1.00 61.22 C ATOM 431 CD GLU A 369 3.273 3.654 -4.104 1.00 3.33 C ATOM 432 OE1 GLU A 369 3.653 2.956 -5.050 1.00 64.45 O ATOM 433 OE2 GLU A 369 2.550 4.647 -4.270 1.00 3.31 O ATOM 0 H GLU A 369 5.413 1.299 -1.690 1.00 51.12 H new ATOM 0 HA GLU A 369 3.441 2.575 -0.115 1.00 21.24 H new ATOM 0 HB2 GLU A 369 3.254 1.273 -2.838 1.00 1.31 H new ATOM 0 HB3 GLU A 369 2.014 2.287 -2.126 1.00 1.31 H new ATOM 0 HG2 GLU A 369 3.581 4.179 -2.064 1.00 61.22 H new ATOM 0 HG3 GLU A 369 4.840 3.169 -2.747 1.00 61.22 H new ATOM 440 N ILE A 370 3.100 -0.639 -0.664 1.00 50.33 N ATOM 441 CA ILE A 370 2.471 -1.865 -0.184 1.00 3.41 C ATOM 442 C ILE A 370 2.471 -1.908 1.342 1.00 54.10 C ATOM 443 O ILE A 370 1.441 -2.156 1.958 1.00 61.33 O ATOM 444 CB ILE A 370 3.227 -3.078 -0.752 1.00 13.12 C ATOM 445 CG1 ILE A 370 3.062 -3.090 -2.266 1.00 64.32 C ATOM 446 CG2 ILE A 370 2.768 -4.415 -0.122 1.00 2.44 C ATOM 447 CD1 ILE A 370 3.872 -4.127 -2.935 1.00 42.42 C ATOM 0 H ILE A 370 3.852 -0.797 -1.334 1.00 50.33 H new ATOM 0 HA ILE A 370 1.435 -1.891 -0.522 1.00 3.41 H new ATOM 0 HB ILE A 370 4.282 -2.980 -0.496 1.00 13.12 H new ATOM 0 HG12 ILE A 370 2.011 -3.248 -2.508 1.00 64.32 H new ATOM 0 HG13 ILE A 370 3.337 -2.113 -2.662 1.00 64.32 H new ATOM 0 HG21 ILE A 370 3.335 -5.237 -0.560 1.00 2.44 H new ATOM 0 HG22 ILE A 370 2.940 -4.388 0.954 1.00 2.44 H new ATOM 0 HG23 ILE A 370 1.706 -4.563 -0.316 1.00 2.44 H new ATOM 0 HD11 ILE A 370 3.707 -4.080 -4.011 1.00 42.42 H new ATOM 0 HD12 ILE A 370 4.928 -3.958 -2.722 1.00 42.42 H new ATOM 0 HD13 ILE A 370 3.581 -5.110 -2.566 1.00 42.42 H new ATOM 459 N TYR A 371 3.618 -1.618 1.938 1.00 1.25 N ATOM 460 CA TYR A 371 3.738 -1.598 3.391 1.00 14.14 C ATOM 461 C TYR A 371 2.826 -0.540 3.985 1.00 55.15 C ATOM 462 O TYR A 371 2.137 -0.767 4.984 1.00 63.41 O ATOM 463 CB TYR A 371 5.179 -1.321 3.826 1.00 51.12 C ATOM 464 CG TYR A 371 6.200 -2.329 3.356 1.00 23.24 C ATOM 465 CD1 TYR A 371 5.992 -3.683 3.511 1.00 13.23 C ATOM 466 CD2 TYR A 371 7.377 -1.918 2.759 1.00 33.31 C ATOM 467 CE1 TYR A 371 6.926 -4.594 3.090 1.00 43.43 C ATOM 468 CE2 TYR A 371 8.316 -2.822 2.334 1.00 23.41 C ATOM 469 CZ TYR A 371 8.086 -4.158 2.503 1.00 11.12 C ATOM 470 OH TYR A 371 9.021 -5.070 2.086 1.00 21.24 O ATOM 0 H TYR A 371 4.479 -1.393 1.440 1.00 1.25 H new ATOM 0 HA TYR A 371 3.444 -2.582 3.756 1.00 14.14 H new ATOM 0 HB2 TYR A 371 5.469 -0.337 3.459 1.00 51.12 H new ATOM 0 HB3 TYR A 371 5.210 -1.277 4.915 1.00 51.12 H new ATOM 0 HD1 TYR A 371 5.079 -4.031 3.971 1.00 13.23 H new ATOM 0 HD2 TYR A 371 7.561 -0.862 2.624 1.00 33.31 H new ATOM 0 HE1 TYR A 371 6.749 -5.651 3.220 1.00 43.43 H new ATOM 0 HE2 TYR A 371 9.230 -2.481 1.870 1.00 23.41 H new ATOM 0 HH TYR A 371 9.784 -4.599 1.691 1.00 21.24 H new ATOM 480 N ASN A 372 2.806 0.599 3.348 1.00 25.13 N ATOM 481 CA ASN A 372 2.004 1.725 3.797 1.00 73.12 C ATOM 482 C ASN A 372 0.520 1.416 3.706 1.00 50.13 C ATOM 483 O ASN A 372 -0.259 1.863 4.545 1.00 4.32 O ATOM 484 CB ASN A 372 2.356 3.005 3.031 1.00 14.35 C ATOM 485 CG ASN A 372 3.805 3.427 3.238 1.00 2.45 C ATOM 486 OD1 ASN A 372 4.402 3.169 4.288 1.00 72.21 O ATOM 487 ND2 ASN A 372 4.383 4.066 2.253 1.00 44.21 N ATOM 0 H ASN A 372 3.343 0.782 2.500 1.00 25.13 H new ATOM 0 HA ASN A 372 2.241 1.898 4.847 1.00 73.12 H new ATOM 0 HB2 ASN A 372 2.174 2.850 1.967 1.00 14.35 H new ATOM 0 HB3 ASN A 372 1.696 3.811 3.353 1.00 14.35 H new ATOM 0 HD21 ASN A 372 5.354 4.366 2.340 1.00 44.21 H new ATOM 0 HD22 ASN A 372 3.863 4.264 1.398 1.00 44.21 H new ATOM 494 N TRP A 373 0.135 0.628 2.698 1.00 44.20 N ATOM 495 CA TRP A 373 -1.248 0.187 2.527 1.00 64.24 C ATOM 496 C TRP A 373 -1.707 -0.567 3.762 1.00 12.23 C ATOM 497 O TRP A 373 -2.780 -0.280 4.315 1.00 34.44 O ATOM 498 CB TRP A 373 -1.386 -0.704 1.284 1.00 32.40 C ATOM 499 CG TRP A 373 -2.787 -1.224 1.045 1.00 11.14 C ATOM 500 CD1 TRP A 373 -3.754 -0.655 0.273 1.00 4.24 C ATOM 501 CD2 TRP A 373 -3.363 -2.429 1.588 1.00 53.42 C ATOM 502 NE1 TRP A 373 -4.893 -1.427 0.297 1.00 62.25 N ATOM 503 CE2 TRP A 373 -4.676 -2.527 1.100 1.00 31.22 C ATOM 504 CE3 TRP A 373 -2.885 -3.422 2.437 1.00 35.43 C ATOM 505 CZ2 TRP A 373 -5.520 -3.600 1.438 1.00 20.22 C ATOM 506 CZ3 TRP A 373 -3.712 -4.474 2.771 1.00 21.14 C ATOM 507 CH2 TRP A 373 -5.012 -4.557 2.272 1.00 63.21 C ATOM 0 H TRP A 373 0.772 0.280 1.981 1.00 44.20 H new ATOM 0 HA TRP A 373 -1.877 1.067 2.390 1.00 64.24 H new ATOM 0 HB2 TRP A 373 -1.066 -0.139 0.409 1.00 32.40 H new ATOM 0 HB3 TRP A 373 -0.708 -1.552 1.381 1.00 32.40 H new ATOM 0 HD1 TRP A 373 -3.643 0.267 -0.278 1.00 4.24 H new ATOM 0 HE1 TRP A 373 -5.759 -1.219 -0.200 1.00 62.25 H new ATOM 0 HE3 TRP A 373 -1.880 -3.370 2.829 1.00 35.43 H new ATOM 0 HZ2 TRP A 373 -6.528 -3.665 1.055 1.00 20.22 H new ATOM 0 HZ3 TRP A 373 -3.347 -5.247 3.431 1.00 21.14 H new ATOM 0 HH2 TRP A 373 -5.632 -5.397 2.551 1.00 63.21 H new ATOM 518 N PHE A 374 -0.892 -1.521 4.200 1.00 5.44 N ATOM 519 CA PHE A 374 -1.203 -2.318 5.384 1.00 1.20 C ATOM 520 C PHE A 374 -1.305 -1.453 6.612 1.00 44.42 C ATOM 521 O PHE A 374 -2.227 -1.590 7.387 1.00 71.31 O ATOM 522 CB PHE A 374 -0.175 -3.433 5.619 1.00 50.13 C ATOM 523 CG PHE A 374 -0.216 -4.577 4.646 1.00 43.11 C ATOM 524 CD1 PHE A 374 0.479 -4.529 3.456 1.00 11.13 C ATOM 525 CD2 PHE A 374 -0.946 -5.713 4.940 1.00 44.42 C ATOM 526 CE1 PHE A 374 0.444 -5.588 2.571 1.00 1.30 C ATOM 527 CE2 PHE A 374 -0.983 -6.774 4.066 1.00 21.33 C ATOM 528 CZ PHE A 374 -0.287 -6.712 2.878 1.00 62.53 C ATOM 0 H PHE A 374 -0.008 -1.762 3.752 1.00 5.44 H new ATOM 0 HA PHE A 374 -2.170 -2.785 5.196 1.00 1.20 H new ATOM 0 HB2 PHE A 374 0.822 -2.993 5.592 1.00 50.13 H new ATOM 0 HB3 PHE A 374 -0.321 -3.830 6.624 1.00 50.13 H new ATOM 0 HD1 PHE A 374 1.059 -3.651 3.213 1.00 11.13 H new ATOM 0 HD2 PHE A 374 -1.495 -5.768 5.869 1.00 44.42 H new ATOM 0 HE1 PHE A 374 0.989 -5.534 1.640 1.00 1.30 H new ATOM 0 HE2 PHE A 374 -1.557 -7.655 4.310 1.00 21.33 H new ATOM 0 HZ PHE A 374 -0.316 -7.544 2.190 1.00 62.53 H new ATOM 538 N ALA A 375 -0.372 -0.551 6.765 1.00 52.23 N ATOM 539 CA ALA A 375 -0.349 0.341 7.928 1.00 53.20 C ATOM 540 C ALA A 375 -1.575 1.264 7.948 1.00 41.53 C ATOM 541 O ALA A 375 -2.078 1.628 9.007 1.00 44.12 O ATOM 542 CB ALA A 375 0.936 1.155 7.941 1.00 55.31 C ATOM 0 H ALA A 375 0.391 -0.403 6.105 1.00 52.23 H new ATOM 0 HA ALA A 375 -0.384 -0.274 8.827 1.00 53.20 H new ATOM 0 HB1 ALA A 375 0.941 1.813 8.810 1.00 55.31 H new ATOM 0 HB2 ALA A 375 1.792 0.482 7.991 1.00 55.31 H new ATOM 0 HB3 ALA A 375 0.997 1.753 7.032 1.00 55.31 H new ATOM 548 N SER A 376 -2.040 1.621 6.782 1.00 45.35 N ATOM 549 CA SER A 376 -3.186 2.491 6.648 1.00 23.42 C ATOM 550 C SER A 376 -4.512 1.735 6.870 1.00 23.35 C ATOM 551 O SER A 376 -5.383 2.204 7.619 1.00 4.22 O ATOM 552 CB SER A 376 -3.182 3.159 5.265 1.00 3.31 C ATOM 553 OG SER A 376 -1.957 3.854 5.036 1.00 24.22 O ATOM 0 H SER A 376 -1.638 1.319 5.895 1.00 45.35 H new ATOM 0 HA SER A 376 -3.111 3.256 7.421 1.00 23.42 H new ATOM 0 HB2 SER A 376 -3.326 2.404 4.492 1.00 3.31 H new ATOM 0 HB3 SER A 376 -4.018 3.854 5.191 1.00 3.31 H new ATOM 0 HG SER A 376 -1.296 3.236 4.659 1.00 24.22 H new ATOM 559 N ASN A 377 -4.648 0.553 6.258 1.00 42.11 N ATOM 560 CA ASN A 377 -5.927 -0.183 6.303 1.00 35.14 C ATOM 561 C ASN A 377 -6.020 -1.145 7.457 1.00 41.33 C ATOM 562 O ASN A 377 -7.112 -1.481 7.907 1.00 73.23 O ATOM 563 CB ASN A 377 -6.221 -0.921 4.976 1.00 15.42 C ATOM 564 CG ASN A 377 -6.448 0.010 3.823 1.00 32.42 C ATOM 565 OD1 ASN A 377 -7.567 0.438 3.567 1.00 23.42 O ATOM 566 ND2 ASN A 377 -5.406 0.321 3.111 1.00 61.00 N ATOM 0 H ASN A 377 -3.906 0.088 5.734 1.00 42.11 H new ATOM 0 HA ASN A 377 -6.688 0.582 6.454 1.00 35.14 H new ATOM 0 HB2 ASN A 377 -5.387 -1.582 4.742 1.00 15.42 H new ATOM 0 HB3 ASN A 377 -7.101 -1.551 5.105 1.00 15.42 H new ATOM 0 HD21 ASN A 377 -5.504 0.942 2.308 1.00 61.00 H new ATOM 0 HD22 ASN A 377 -4.490 -0.056 3.356 1.00 61.00 H new ATOM 573 N VAL A 378 -4.904 -1.589 7.950 1.00 5.01 N ATOM 574 CA VAL A 378 -4.902 -2.529 9.034 1.00 44.42 C ATOM 575 C VAL A 378 -4.409 -1.849 10.301 1.00 22.33 C ATOM 576 O VAL A 378 -3.239 -1.446 10.384 1.00 34.43 O ATOM 577 CB VAL A 378 -4.028 -3.769 8.718 1.00 64.41 C ATOM 578 CG1 VAL A 378 -4.083 -4.782 9.848 1.00 73.54 C ATOM 579 CG2 VAL A 378 -4.453 -4.414 7.405 1.00 74.11 C ATOM 0 H VAL A 378 -3.979 -1.316 7.619 1.00 5.01 H new ATOM 0 HA VAL A 378 -5.925 -2.877 9.179 1.00 44.42 H new ATOM 0 HB VAL A 378 -2.997 -3.429 8.617 1.00 64.41 H new ATOM 0 HG11 VAL A 378 -3.460 -5.641 9.597 1.00 73.54 H new ATOM 0 HG12 VAL A 378 -3.716 -4.323 10.766 1.00 73.54 H new ATOM 0 HG13 VAL A 378 -5.112 -5.110 9.993 1.00 73.54 H new ATOM 0 HG21 VAL A 378 -3.824 -5.282 7.206 1.00 74.11 H new ATOM 0 HG22 VAL A 378 -5.494 -4.728 7.474 1.00 74.11 H new ATOM 0 HG23 VAL A 378 -4.345 -3.694 6.594 1.00 74.11 H new ATOM 589 N PRO A 379 -5.296 -1.706 11.306 1.00 15.51 N ATOM 590 CA PRO A 379 -4.964 -1.046 12.560 1.00 13.13 C ATOM 591 C PRO A 379 -3.751 -1.671 13.247 1.00 35.24 C ATOM 592 O PRO A 379 -2.964 -0.965 13.884 1.00 32.34 O ATOM 593 CB PRO A 379 -6.207 -1.188 13.439 1.00 31.34 C ATOM 594 CG PRO A 379 -7.269 -1.836 12.610 1.00 3.13 C ATOM 595 CD PRO A 379 -6.692 -2.167 11.263 1.00 65.45 C ATOM 0 HA PRO A 379 -4.695 -0.005 12.382 1.00 13.13 H new ATOM 0 HB2 PRO A 379 -5.987 -1.790 14.320 1.00 31.34 H new ATOM 0 HB3 PRO A 379 -6.539 -0.213 13.794 1.00 31.34 H new ATOM 0 HG2 PRO A 379 -7.631 -2.740 13.099 1.00 3.13 H new ATOM 0 HG3 PRO A 379 -8.124 -1.168 12.501 1.00 3.13 H new ATOM 0 HD2 PRO A 379 -6.745 -3.238 11.066 1.00 65.45 H new ATOM 0 HD3 PRO A 379 -7.245 -1.669 10.467 1.00 65.45 H new ATOM 603 N TYR A 380 -3.594 -2.992 13.083 1.00 21.03 N ATOM 604 CA TYR A 380 -2.473 -3.731 13.641 1.00 30.23 C ATOM 605 C TYR A 380 -1.150 -3.133 13.143 1.00 10.11 C ATOM 606 O TYR A 380 -0.243 -2.863 13.931 1.00 51.14 O ATOM 607 CB TYR A 380 -2.592 -5.202 13.209 1.00 52.31 C ATOM 608 CG TYR A 380 -1.555 -6.114 13.794 1.00 42.52 C ATOM 609 CD1 TYR A 380 -1.718 -6.637 15.055 1.00 22.21 C ATOM 610 CD2 TYR A 380 -0.419 -6.449 13.086 1.00 21.11 C ATOM 611 CE1 TYR A 380 -0.780 -7.470 15.606 1.00 73.24 C ATOM 612 CE2 TYR A 380 0.532 -7.282 13.623 1.00 42.12 C ATOM 613 CZ TYR A 380 0.347 -7.792 14.887 1.00 64.42 C ATOM 614 OH TYR A 380 1.298 -8.626 15.429 1.00 61.35 O ATOM 0 H TYR A 380 -4.248 -3.572 12.557 1.00 21.03 H new ATOM 0 HA TYR A 380 -2.488 -3.666 14.729 1.00 30.23 H new ATOM 0 HB2 TYR A 380 -3.579 -5.570 13.489 1.00 52.31 H new ATOM 0 HB3 TYR A 380 -2.529 -5.253 12.122 1.00 52.31 H new ATOM 0 HD1 TYR A 380 -2.602 -6.386 15.622 1.00 22.21 H new ATOM 0 HD2 TYR A 380 -0.275 -6.050 12.093 1.00 21.11 H new ATOM 0 HE1 TYR A 380 -0.925 -7.871 16.598 1.00 73.24 H new ATOM 0 HE2 TYR A 380 1.417 -7.534 13.058 1.00 42.12 H new ATOM 0 HH TYR A 380 2.028 -8.750 14.787 1.00 61.35 H new ATOM 624 N PHE A 381 -1.061 -2.905 11.840 1.00 21.25 N ATOM 625 CA PHE A 381 0.139 -2.365 11.234 1.00 53.11 C ATOM 626 C PHE A 381 0.288 -0.907 11.467 1.00 22.01 C ATOM 627 O PHE A 381 1.390 -0.404 11.502 1.00 0.34 O ATOM 628 CB PHE A 381 0.251 -2.722 9.781 1.00 65.35 C ATOM 629 CG PHE A 381 0.318 -4.176 9.604 1.00 72.11 C ATOM 630 CD1 PHE A 381 1.284 -4.908 10.256 1.00 63.24 C ATOM 631 CD2 PHE A 381 -0.593 -4.823 8.825 1.00 23.42 C ATOM 632 CE1 PHE A 381 1.341 -6.257 10.123 1.00 71.14 C ATOM 633 CE2 PHE A 381 -0.547 -6.170 8.690 1.00 0.13 C ATOM 634 CZ PHE A 381 0.430 -6.891 9.345 1.00 1.05 C ATOM 0 H PHE A 381 -1.816 -3.089 11.180 1.00 21.25 H new ATOM 0 HA PHE A 381 0.978 -2.843 11.739 1.00 53.11 H new ATOM 0 HB2 PHE A 381 -0.606 -2.324 9.237 1.00 65.35 H new ATOM 0 HB3 PHE A 381 1.141 -2.258 9.356 1.00 65.35 H new ATOM 0 HD1 PHE A 381 2.005 -4.403 10.881 1.00 63.24 H new ATOM 0 HD2 PHE A 381 -1.357 -4.258 8.312 1.00 23.42 H new ATOM 0 HE1 PHE A 381 2.107 -6.822 10.634 1.00 71.14 H new ATOM 0 HE2 PHE A 381 -1.273 -6.678 8.072 1.00 0.13 H new ATOM 0 HZ PHE A 381 0.469 -7.965 9.237 1.00 1.05 H new ATOM 644 N GLY A 382 -0.821 -0.221 11.614 1.00 13.01 N ATOM 645 CA GLY A 382 -0.775 1.182 11.954 1.00 33.45 C ATOM 646 C GLY A 382 -0.076 1.396 13.298 1.00 63.41 C ATOM 647 O GLY A 382 0.495 2.469 13.571 1.00 64.34 O ATOM 0 H GLY A 382 -1.759 -0.607 11.505 1.00 13.01 H new ATOM 0 HA2 GLY A 382 -0.248 1.732 11.174 1.00 33.45 H new ATOM 0 HA3 GLY A 382 -1.788 1.583 11.998 1.00 33.45 H new ATOM 651 N ASN A 383 -0.117 0.356 14.132 1.00 3.40 N ATOM 652 CA ASN A 383 0.533 0.346 15.426 1.00 42.21 C ATOM 653 C ASN A 383 2.000 -0.091 15.303 1.00 4.34 C ATOM 654 O ASN A 383 2.771 -0.002 16.268 1.00 70.45 O ATOM 655 CB ASN A 383 -0.203 -0.597 16.380 1.00 73.20 C ATOM 656 CG ASN A 383 -1.625 -0.172 16.684 1.00 74.33 C ATOM 657 OD1 ASN A 383 -1.959 1.025 16.688 1.00 22.51 O ATOM 658 ND2 ASN A 383 -2.461 -1.127 16.949 1.00 63.51 N ATOM 0 H ASN A 383 -0.611 -0.510 13.917 1.00 3.40 H new ATOM 0 HA ASN A 383 0.504 1.361 15.823 1.00 42.21 H new ATOM 0 HB2 ASN A 383 -0.217 -1.598 15.948 1.00 73.20 H new ATOM 0 HB3 ASN A 383 0.355 -0.661 17.314 1.00 73.20 H new ATOM 0 HD21 ASN A 383 -3.432 -0.908 17.171 1.00 63.51 H new ATOM 0 HD22 ASN A 383 -2.148 -2.098 16.935 1.00 63.51 H new ATOM 665 N ARG A 384 2.372 -0.589 14.128 1.00 43.24 N ATOM 666 CA ARG A 384 3.742 -1.005 13.845 1.00 5.23 C ATOM 667 C ARG A 384 4.289 -0.253 12.643 1.00 52.34 C ATOM 668 O ARG A 384 4.390 -0.799 11.542 1.00 30.44 O ATOM 669 CB ARG A 384 3.866 -2.521 13.643 1.00 64.21 C ATOM 670 CG ARG A 384 3.516 -3.326 14.867 1.00 33.10 C ATOM 671 CD ARG A 384 3.685 -4.819 14.652 1.00 0.31 C ATOM 672 NE ARG A 384 3.315 -5.561 15.863 1.00 31.15 N ATOM 673 CZ ARG A 384 3.820 -6.735 16.251 1.00 60.12 C ATOM 674 NH1 ARG A 384 4.683 -7.386 15.483 1.00 43.54 N ATOM 675 NH2 ARG A 384 3.437 -7.269 17.399 1.00 42.34 N ATOM 0 H ARG A 384 1.732 -0.716 13.344 1.00 43.24 H new ATOM 0 HA ARG A 384 4.341 -0.755 14.721 1.00 5.23 H new ATOM 0 HB2 ARG A 384 3.216 -2.824 12.822 1.00 64.21 H new ATOM 0 HB3 ARG A 384 4.887 -2.756 13.344 1.00 64.21 H new ATOM 0 HG2 ARG A 384 4.146 -3.009 15.698 1.00 33.10 H new ATOM 0 HG3 ARG A 384 2.484 -3.118 15.151 1.00 33.10 H new ATOM 0 HD2 ARG A 384 3.065 -5.144 13.816 1.00 0.31 H new ATOM 0 HD3 ARG A 384 4.719 -5.039 14.386 1.00 0.31 H new ATOM 0 HE ARG A 384 2.606 -5.141 16.464 1.00 31.15 H new ATOM 0 HH11 ARG A 384 4.967 -6.991 14.587 1.00 43.54 H new ATOM 0 HH12 ARG A 384 5.063 -8.282 15.789 1.00 43.54 H new ATOM 0 HH21 ARG A 384 2.758 -6.784 17.985 1.00 42.34 H new ATOM 0 HH22 ARG A 384 3.821 -8.165 17.698 1.00 42.34 H new ATOM 689 N THR A 385 4.592 0.996 12.849 1.00 41.20 N ATOM 690 CA THR A 385 5.039 1.871 11.771 1.00 71.34 C ATOM 691 C THR A 385 6.451 2.407 12.003 1.00 15.13 C ATOM 692 O THR A 385 7.083 2.945 11.085 1.00 64.21 O ATOM 693 CB THR A 385 4.061 3.046 11.568 1.00 71.42 C ATOM 694 OG1 THR A 385 3.769 3.661 12.837 1.00 3.20 O ATOM 695 CG2 THR A 385 2.773 2.582 10.912 1.00 74.32 C ATOM 0 H THR A 385 4.541 1.449 13.762 1.00 41.20 H new ATOM 0 HA THR A 385 5.059 1.261 10.868 1.00 71.34 H new ATOM 0 HB THR A 385 4.535 3.773 10.909 1.00 71.42 H new ATOM 0 HG1 THR A 385 3.149 4.408 12.704 1.00 3.20 H new ATOM 0 HG21 THR A 385 2.104 3.433 10.782 1.00 74.32 H new ATOM 0 HG22 THR A 385 2.997 2.145 9.939 1.00 74.32 H new ATOM 0 HG23 THR A 385 2.292 1.835 11.543 1.00 74.32 H new ATOM 703 N SER A 386 6.946 2.268 13.221 1.00 32.04 N ATOM 704 CA SER A 386 8.287 2.697 13.544 1.00 31.54 C ATOM 705 C SER A 386 9.267 1.749 12.821 1.00 53.31 C ATOM 706 O SER A 386 8.880 0.634 12.477 1.00 53.20 O ATOM 707 CB SER A 386 8.464 2.687 15.077 1.00 41.32 C ATOM 708 OG SER A 386 9.721 3.182 15.486 1.00 55.33 O ATOM 0 H SER A 386 6.433 1.859 14.002 1.00 32.04 H new ATOM 0 HA SER A 386 8.485 3.715 13.210 1.00 31.54 H new ATOM 0 HB2 SER A 386 7.677 3.287 15.533 1.00 41.32 H new ATOM 0 HB3 SER A 386 8.342 1.668 15.446 1.00 41.32 H new ATOM 0 HG SER A 386 9.781 3.156 16.464 1.00 55.33 H new ATOM 714 N GLN A 387 10.502 2.177 12.591 1.00 13.43 N ATOM 715 CA GLN A 387 11.455 1.399 11.773 1.00 41.11 C ATOM 716 C GLN A 387 11.611 -0.052 12.217 1.00 42.31 C ATOM 717 O GLN A 387 11.470 -0.968 11.405 1.00 74.12 O ATOM 718 CB GLN A 387 12.813 2.090 11.644 1.00 4.11 C ATOM 719 CG GLN A 387 12.751 3.421 10.915 1.00 40.22 C ATOM 720 CD GLN A 387 14.110 4.049 10.736 1.00 34.31 C ATOM 721 OE1 GLN A 387 14.572 4.816 11.580 1.00 12.24 O ATOM 722 NE2 GLN A 387 14.760 3.733 9.649 1.00 44.41 N ATOM 0 H GLN A 387 10.877 3.054 12.953 1.00 13.43 H new ATOM 0 HA GLN A 387 11.005 1.363 10.781 1.00 41.11 H new ATOM 0 HB2 GLN A 387 13.226 2.250 12.640 1.00 4.11 H new ATOM 0 HB3 GLN A 387 13.500 1.428 11.116 1.00 4.11 H new ATOM 0 HG2 GLN A 387 12.291 3.274 9.938 1.00 40.22 H new ATOM 0 HG3 GLN A 387 12.109 4.105 11.470 1.00 40.22 H new ATOM 0 HE21 GLN A 387 14.343 3.093 8.973 1.00 44.41 H new ATOM 0 HE22 GLN A 387 15.685 4.126 9.476 1.00 44.41 H new ATOM 731 N GLU A 388 11.854 -0.266 13.486 1.00 53.13 N ATOM 732 CA GLU A 388 12.025 -1.616 14.003 1.00 4.11 C ATOM 733 C GLU A 388 10.675 -2.276 14.271 1.00 15.50 C ATOM 734 O GLU A 388 10.567 -3.499 14.337 1.00 2.33 O ATOM 735 CB GLU A 388 12.879 -1.591 15.254 1.00 53.34 C ATOM 736 CG GLU A 388 14.250 -0.990 15.017 1.00 11.12 C ATOM 737 CD GLU A 388 15.096 -0.989 16.245 1.00 13.54 C ATOM 738 OE1 GLU A 388 14.923 -0.090 17.100 1.00 61.33 O ATOM 739 OE2 GLU A 388 15.952 -1.878 16.391 1.00 20.14 O ATOM 0 H GLU A 388 11.939 0.471 14.186 1.00 53.13 H new ATOM 0 HA GLU A 388 12.537 -2.213 13.248 1.00 4.11 H new ATOM 0 HB2 GLU A 388 12.366 -1.020 16.028 1.00 53.34 H new ATOM 0 HB3 GLU A 388 12.993 -2.607 15.631 1.00 53.34 H new ATOM 0 HG2 GLU A 388 14.757 -1.550 14.231 1.00 11.12 H new ATOM 0 HG3 GLU A 388 14.137 0.033 14.657 1.00 11.12 H new ATOM 746 N GLN A 389 9.650 -1.455 14.393 1.00 62.30 N ATOM 747 CA GLN A 389 8.293 -1.933 14.622 1.00 72.42 C ATOM 748 C GLN A 389 7.687 -2.472 13.343 1.00 41.52 C ATOM 749 O GLN A 389 6.862 -3.373 13.372 1.00 63.45 O ATOM 750 CB GLN A 389 7.417 -0.802 15.161 1.00 11.11 C ATOM 751 CG GLN A 389 7.739 -0.377 16.586 1.00 70.32 C ATOM 752 CD GLN A 389 7.356 -1.426 17.605 1.00 43.21 C ATOM 753 OE1 GLN A 389 7.990 -1.555 18.653 1.00 74.45 O ATOM 754 NE2 GLN A 389 6.288 -2.141 17.335 1.00 55.10 N ATOM 0 H GLN A 389 9.730 -0.440 14.337 1.00 62.30 H new ATOM 0 HA GLN A 389 8.340 -2.738 15.356 1.00 72.42 H new ATOM 0 HB2 GLN A 389 7.519 0.063 14.506 1.00 11.11 H new ATOM 0 HB3 GLN A 389 6.374 -1.115 15.116 1.00 11.11 H new ATOM 0 HG2 GLN A 389 8.806 -0.169 16.667 1.00 70.32 H new ATOM 0 HG3 GLN A 389 7.215 0.552 16.812 1.00 70.32 H new ATOM 0 HE21 GLN A 389 5.791 -2.003 16.455 1.00 55.10 H new ATOM 0 HE22 GLN A 389 5.955 -2.834 18.005 1.00 55.10 H new ATOM 763 N SER A 390 8.089 -1.920 12.236 1.00 51.23 N ATOM 764 CA SER A 390 7.551 -2.301 10.970 1.00 3.43 C ATOM 765 C SER A 390 8.468 -3.285 10.234 1.00 64.42 C ATOM 766 O SER A 390 8.020 -3.998 9.333 1.00 31.22 O ATOM 767 CB SER A 390 7.297 -1.043 10.126 1.00 54.33 C ATOM 768 OG SER A 390 6.658 -1.352 8.904 1.00 11.51 O ATOM 0 H SER A 390 8.801 -1.191 12.189 1.00 51.23 H new ATOM 0 HA SER A 390 6.607 -2.819 11.136 1.00 3.43 H new ATOM 0 HB2 SER A 390 6.681 -0.344 10.692 1.00 54.33 H new ATOM 0 HB3 SER A 390 8.244 -0.543 9.925 1.00 54.33 H new ATOM 0 HG SER A 390 5.898 -1.947 9.074 1.00 11.51 H new ATOM 774 N ALA A 391 9.725 -3.340 10.645 1.00 4.41 N ATOM 775 CA ALA A 391 10.738 -4.162 9.977 1.00 32.24 C ATOM 776 C ALA A 391 10.345 -5.635 9.858 1.00 64.51 C ATOM 777 O ALA A 391 10.412 -6.203 8.776 1.00 62.42 O ATOM 778 CB ALA A 391 12.079 -4.033 10.677 1.00 32.24 C ATOM 0 H ALA A 391 10.077 -2.820 11.448 1.00 4.41 H new ATOM 0 HA ALA A 391 10.817 -3.777 8.960 1.00 32.24 H new ATOM 0 HB1 ALA A 391 12.817 -4.651 10.166 1.00 32.24 H new ATOM 0 HB2 ALA A 391 12.401 -2.992 10.657 1.00 32.24 H new ATOM 0 HB3 ALA A 391 11.983 -4.364 11.711 1.00 32.24 H new ATOM 784 N GLY A 392 9.921 -6.234 10.949 1.00 24.01 N ATOM 785 CA GLY A 392 9.605 -7.648 10.953 1.00 54.24 C ATOM 786 C GLY A 392 8.493 -8.036 10.014 1.00 75.22 C ATOM 787 O GLY A 392 8.617 -9.026 9.269 1.00 31.52 O ATOM 0 H GLY A 392 9.787 -5.766 11.845 1.00 24.01 H new ATOM 0 HA2 GLY A 392 10.501 -8.210 10.689 1.00 54.24 H new ATOM 0 HA3 GLY A 392 9.330 -7.944 11.965 1.00 54.24 H new ATOM 791 N TRP A 393 7.408 -7.285 10.011 1.00 3.23 N ATOM 792 CA TRP A 393 6.338 -7.631 9.126 1.00 2.51 C ATOM 793 C TRP A 393 6.705 -7.327 7.665 1.00 4.53 C ATOM 794 O TRP A 393 6.239 -8.007 6.747 1.00 51.11 O ATOM 795 CB TRP A 393 4.953 -7.108 9.563 1.00 73.13 C ATOM 796 CG TRP A 393 4.783 -5.635 9.598 1.00 23.23 C ATOM 797 CD1 TRP A 393 5.095 -4.789 10.609 1.00 52.53 C ATOM 798 CD2 TRP A 393 4.207 -4.848 8.575 1.00 43.24 C ATOM 799 NE1 TRP A 393 4.758 -3.499 10.258 1.00 12.03 N ATOM 800 CE2 TRP A 393 4.215 -3.514 9.011 1.00 72.31 C ATOM 801 CE3 TRP A 393 3.691 -5.152 7.327 1.00 73.33 C ATOM 802 CZ2 TRP A 393 3.729 -2.474 8.236 1.00 64.12 C ATOM 803 CZ3 TRP A 393 3.204 -4.123 6.550 1.00 62.22 C ATOM 804 CH2 TRP A 393 3.229 -2.798 7.008 1.00 14.42 C ATOM 0 H TRP A 393 7.255 -6.462 10.593 1.00 3.23 H new ATOM 0 HA TRP A 393 6.214 -8.712 9.194 1.00 2.51 H new ATOM 0 HB2 TRP A 393 4.204 -7.522 8.888 1.00 73.13 H new ATOM 0 HB3 TRP A 393 4.738 -7.500 10.557 1.00 73.13 H new ATOM 0 HD1 TRP A 393 5.541 -5.081 11.548 1.00 52.53 H new ATOM 0 HE1 TRP A 393 4.893 -2.671 10.837 1.00 12.03 H new ATOM 0 HE3 TRP A 393 3.671 -6.171 6.971 1.00 73.33 H new ATOM 0 HZ2 TRP A 393 3.745 -1.453 8.587 1.00 64.12 H new ATOM 0 HZ3 TRP A 393 2.797 -4.341 5.574 1.00 62.22 H new ATOM 0 HH2 TRP A 393 2.843 -2.014 6.373 1.00 14.42 H new ATOM 815 N LYS A 394 7.580 -6.315 7.451 1.00 21.41 N ATOM 816 CA LYS A 394 8.138 -6.083 6.126 1.00 62.15 C ATOM 817 C LYS A 394 8.952 -7.282 5.674 1.00 61.05 C ATOM 818 O LYS A 394 8.864 -7.695 4.511 1.00 71.43 O ATOM 819 CB LYS A 394 8.993 -4.819 6.066 1.00 70.11 C ATOM 820 CG LYS A 394 8.199 -3.564 6.251 1.00 42.01 C ATOM 821 CD LYS A 394 9.041 -2.320 6.075 1.00 73.13 C ATOM 822 CE LYS A 394 8.168 -1.101 6.202 1.00 44.55 C ATOM 823 NZ LYS A 394 8.869 0.154 5.841 1.00 14.43 N ATOM 0 H LYS A 394 7.900 -5.667 8.171 1.00 21.41 H new ATOM 0 HA LYS A 394 7.296 -5.939 5.449 1.00 62.15 H new ATOM 0 HB2 LYS A 394 9.763 -4.871 6.836 1.00 70.11 H new ATOM 0 HB3 LYS A 394 9.505 -4.779 5.105 1.00 70.11 H new ATOM 0 HG2 LYS A 394 7.377 -3.548 5.535 1.00 42.01 H new ATOM 0 HG3 LYS A 394 7.755 -3.561 7.246 1.00 42.01 H new ATOM 0 HD2 LYS A 394 9.832 -2.294 6.825 1.00 73.13 H new ATOM 0 HD3 LYS A 394 9.527 -2.332 5.100 1.00 73.13 H new ATOM 0 HE2 LYS A 394 7.293 -1.219 5.562 1.00 44.55 H new ATOM 0 HE3 LYS A 394 7.805 -1.026 7.227 1.00 44.55 H new ATOM 0 HZ1 LYS A 394 8.218 0.958 5.948 1.00 14.43 H new ATOM 0 HZ2 LYS A 394 9.689 0.286 6.467 1.00 14.43 H new ATOM 0 HZ3 LYS A 394 9.193 0.099 4.854 1.00 14.43 H new ATOM 837 N ASN A 395 9.718 -7.862 6.604 1.00 12.25 N ATOM 838 CA ASN A 395 10.504 -9.062 6.290 1.00 11.44 C ATOM 839 C ASN A 395 9.595 -10.207 5.915 1.00 22.33 C ATOM 840 O ASN A 395 9.872 -10.952 4.983 1.00 72.14 O ATOM 841 CB ASN A 395 11.450 -9.470 7.442 1.00 73.31 C ATOM 842 CG ASN A 395 12.728 -8.640 7.514 1.00 64.13 C ATOM 843 OD1 ASN A 395 13.745 -9.004 6.925 1.00 70.12 O ATOM 844 ND2 ASN A 395 12.693 -7.534 8.202 1.00 71.15 N ATOM 0 H ASN A 395 9.811 -7.529 7.563 1.00 12.25 H new ATOM 0 HA ASN A 395 11.135 -8.815 5.436 1.00 11.44 H new ATOM 0 HB2 ASN A 395 10.916 -9.379 8.388 1.00 73.31 H new ATOM 0 HB3 ASN A 395 11.716 -10.521 7.326 1.00 73.31 H new ATOM 0 HD21 ASN A 395 13.523 -6.945 8.263 1.00 71.15 H new ATOM 0 HD22 ASN A 395 11.835 -7.258 8.680 1.00 71.15 H new ATOM 851 N SER A 396 8.490 -10.315 6.621 1.00 2.02 N ATOM 852 CA SER A 396 7.508 -11.352 6.374 1.00 63.41 C ATOM 853 C SER A 396 6.905 -11.221 4.947 1.00 50.03 C ATOM 854 O SER A 396 6.776 -12.215 4.212 1.00 12.04 O ATOM 855 CB SER A 396 6.434 -11.290 7.455 1.00 31.21 C ATOM 856 OG SER A 396 7.018 -11.418 8.763 1.00 63.01 O ATOM 0 H SER A 396 8.246 -9.685 7.385 1.00 2.02 H new ATOM 0 HA SER A 396 7.990 -12.329 6.419 1.00 63.41 H new ATOM 0 HB2 SER A 396 5.894 -10.346 7.384 1.00 31.21 H new ATOM 0 HB3 SER A 396 5.706 -12.086 7.297 1.00 31.21 H new ATOM 0 HG SER A 396 7.523 -10.606 8.977 1.00 63.01 H new ATOM 862 N ILE A 397 6.566 -9.995 4.556 1.00 11.33 N ATOM 863 CA ILE A 397 6.071 -9.712 3.202 1.00 72.04 C ATOM 864 C ILE A 397 7.152 -10.042 2.161 1.00 13.24 C ATOM 865 O ILE A 397 6.871 -10.647 1.124 1.00 30.34 O ATOM 866 CB ILE A 397 5.597 -8.225 3.072 1.00 64.25 C ATOM 867 CG1 ILE A 397 4.316 -8.001 3.891 1.00 23.43 C ATOM 868 CG2 ILE A 397 5.386 -7.813 1.613 1.00 12.12 C ATOM 869 CD1 ILE A 397 3.845 -6.570 3.945 1.00 44.31 C ATOM 0 H ILE A 397 6.624 -9.174 5.158 1.00 11.33 H new ATOM 0 HA ILE A 397 5.206 -10.348 3.013 1.00 72.04 H new ATOM 0 HB ILE A 397 6.389 -7.592 3.472 1.00 64.25 H new ATOM 0 HG12 ILE A 397 3.520 -8.616 3.470 1.00 23.43 H new ATOM 0 HG13 ILE A 397 4.486 -8.352 4.909 1.00 23.43 H new ATOM 0 HG21 ILE A 397 5.058 -6.774 1.572 1.00 12.12 H new ATOM 0 HG22 ILE A 397 6.323 -7.919 1.066 1.00 12.12 H new ATOM 0 HG23 ILE A 397 4.627 -8.451 1.161 1.00 12.12 H new ATOM 0 HD11 ILE A 397 2.936 -6.508 4.544 1.00 44.31 H new ATOM 0 HD12 ILE A 397 4.619 -5.949 4.395 1.00 44.31 H new ATOM 0 HD13 ILE A 397 3.638 -6.217 2.935 1.00 44.31 H new ATOM 881 N ARG A 398 8.389 -9.677 2.464 1.00 35.41 N ATOM 882 CA ARG A 398 9.515 -9.976 1.587 1.00 60.34 C ATOM 883 C ARG A 398 9.746 -11.464 1.436 1.00 12.21 C ATOM 884 O ARG A 398 10.158 -11.929 0.368 1.00 70.14 O ATOM 885 CB ARG A 398 10.779 -9.287 2.053 1.00 55.03 C ATOM 886 CG ARG A 398 10.782 -7.795 1.841 1.00 43.42 C ATOM 887 CD ARG A 398 10.682 -7.454 0.359 1.00 70.42 C ATOM 888 NE ARG A 398 11.738 -8.111 -0.430 1.00 55.10 N ATOM 889 CZ ARG A 398 11.680 -8.366 -1.749 1.00 54.50 C ATOM 890 NH1 ARG A 398 10.630 -7.979 -2.459 1.00 44.51 N ATOM 891 NH2 ARG A 398 12.677 -8.995 -2.348 1.00 11.21 N ATOM 0 H ARG A 398 8.641 -9.171 3.313 1.00 35.41 H new ATOM 0 HA ARG A 398 9.253 -9.584 0.604 1.00 60.34 H new ATOM 0 HB2 ARG A 398 10.922 -9.492 3.114 1.00 55.03 H new ATOM 0 HB3 ARG A 398 11.630 -9.719 1.527 1.00 55.03 H new ATOM 0 HG2 ARG A 398 9.947 -7.346 2.378 1.00 43.42 H new ATOM 0 HG3 ARG A 398 11.695 -7.367 2.256 1.00 43.42 H new ATOM 0 HD2 ARG A 398 9.705 -7.758 -0.018 1.00 70.42 H new ATOM 0 HD3 ARG A 398 10.752 -6.374 0.230 1.00 70.42 H new ATOM 0 HE ARG A 398 12.583 -8.396 0.065 1.00 55.10 H new ATOM 0 HH11 ARG A 398 9.861 -7.485 -2.005 1.00 44.51 H new ATOM 0 HH12 ARG A 398 10.591 -8.175 -3.459 1.00 44.51 H new ATOM 0 HH21 ARG A 398 13.492 -9.288 -1.809 1.00 11.21 H new ATOM 0 HH22 ARG A 398 12.631 -9.187 -3.349 1.00 11.21 H new ATOM 905 N HIS A 399 9.480 -12.209 2.495 1.00 54.30 N ATOM 906 CA HIS A 399 9.589 -13.668 2.449 1.00 23.35 C ATOM 907 C HIS A 399 8.625 -14.234 1.420 1.00 43.52 C ATOM 908 O HIS A 399 9.005 -15.055 0.601 1.00 71.22 O ATOM 909 CB HIS A 399 9.348 -14.330 3.819 1.00 55.05 C ATOM 910 CG HIS A 399 10.347 -13.974 4.884 1.00 23.40 C ATOM 911 ND1 HIS A 399 10.036 -13.925 6.227 1.00 32.21 N ATOM 912 CD2 HIS A 399 11.663 -13.662 4.799 1.00 40.21 C ATOM 913 CE1 HIS A 399 11.109 -13.595 6.916 1.00 71.21 C ATOM 914 NE2 HIS A 399 12.111 -13.431 6.070 1.00 54.12 N ATOM 0 H HIS A 399 9.187 -11.835 3.398 1.00 54.30 H new ATOM 0 HA HIS A 399 10.615 -13.898 2.160 1.00 23.35 H new ATOM 0 HB2 HIS A 399 8.353 -14.053 4.169 1.00 55.05 H new ATOM 0 HB3 HIS A 399 9.350 -15.412 3.688 1.00 55.05 H new ATOM 0 HD2 HIS A 399 12.250 -13.606 3.894 1.00 40.21 H new ATOM 0 HE1 HIS A 399 11.161 -13.478 7.988 1.00 71.21 H new ATOM 0 HE2 HIS A 399 13.065 -13.174 6.324 1.00 54.12 H new ATOM 923 N ASN A 400 7.386 -13.759 1.440 1.00 71.34 N ATOM 924 CA ASN A 400 6.381 -14.199 0.464 1.00 61.12 C ATOM 925 C ASN A 400 6.701 -13.738 -0.934 1.00 1.43 C ATOM 926 O ASN A 400 6.412 -14.434 -1.899 1.00 63.44 O ATOM 927 CB ASN A 400 4.950 -13.827 0.866 1.00 31.35 C ATOM 928 CG ASN A 400 4.399 -14.751 1.927 1.00 34.13 C ATOM 929 OD1 ASN A 400 3.785 -15.771 1.617 1.00 53.11 O ATOM 930 ND2 ASN A 400 4.593 -14.408 3.159 1.00 20.11 N ATOM 0 H ASN A 400 7.048 -13.073 2.115 1.00 71.34 H new ATOM 0 HA ASN A 400 6.429 -15.288 0.465 1.00 61.12 H new ATOM 0 HB2 ASN A 400 4.933 -12.801 1.235 1.00 31.35 H new ATOM 0 HB3 ASN A 400 4.307 -13.861 -0.013 1.00 31.35 H new ATOM 0 HD21 ASN A 400 4.232 -14.991 3.914 1.00 20.11 H new ATOM 0 HD22 ASN A 400 5.107 -13.554 3.376 1.00 20.11 H new ATOM 937 N LEU A 401 7.317 -12.585 -1.042 1.00 25.42 N ATOM 938 CA LEU A 401 7.759 -12.074 -2.334 1.00 60.41 C ATOM 939 C LEU A 401 8.944 -12.886 -2.877 1.00 51.03 C ATOM 940 O LEU A 401 9.174 -12.948 -4.075 1.00 24.45 O ATOM 941 CB LEU A 401 8.072 -10.573 -2.254 1.00 3.30 C ATOM 942 CG LEU A 401 6.859 -9.664 -1.973 1.00 43.55 C ATOM 943 CD1 LEU A 401 7.288 -8.225 -1.777 1.00 51.54 C ATOM 944 CD2 LEU A 401 5.868 -9.744 -3.117 1.00 51.11 C ATOM 0 H LEU A 401 7.528 -11.975 -0.252 1.00 25.42 H new ATOM 0 HA LEU A 401 6.941 -12.194 -3.045 1.00 60.41 H new ATOM 0 HB2 LEU A 401 8.814 -10.414 -1.472 1.00 3.30 H new ATOM 0 HB3 LEU A 401 8.528 -10.263 -3.194 1.00 3.30 H new ATOM 0 HG LEU A 401 6.386 -10.014 -1.055 1.00 43.55 H new ATOM 0 HD11 LEU A 401 6.411 -7.608 -1.581 1.00 51.54 H new ATOM 0 HD12 LEU A 401 7.973 -8.162 -0.932 1.00 51.54 H new ATOM 0 HD13 LEU A 401 7.788 -7.869 -2.677 1.00 51.54 H new ATOM 0 HD21 LEU A 401 5.016 -9.098 -2.906 1.00 51.11 H new ATOM 0 HD22 LEU A 401 6.350 -9.420 -4.039 1.00 51.11 H new ATOM 0 HD23 LEU A 401 5.524 -10.772 -3.229 1.00 51.11 H new ATOM 1257 N TRP A 421 7.271 -3.818 -8.724 1.00 22.51 N ATOM 1258 CA TRP A 421 6.874 -5.159 -9.005 1.00 32.13 C ATOM 1259 C TRP A 421 5.354 -5.201 -9.202 1.00 54.11 C ATOM 1260 O TRP A 421 4.621 -4.438 -8.562 1.00 25.11 O ATOM 1261 CB TRP A 421 7.374 -6.155 -7.899 1.00 44.33 C ATOM 1262 CG TRP A 421 6.666 -6.123 -6.586 1.00 51.13 C ATOM 1263 CD1 TRP A 421 7.031 -5.458 -5.458 1.00 11.55 C ATOM 1264 CD2 TRP A 421 5.476 -6.834 -6.269 1.00 50.23 C ATOM 1265 NE1 TRP A 421 6.140 -5.732 -4.461 1.00 14.25 N ATOM 1266 CE2 TRP A 421 5.169 -6.571 -4.949 1.00 71.13 C ATOM 1267 CE3 TRP A 421 4.644 -7.666 -6.996 1.00 51.32 C ATOM 1268 CZ2 TRP A 421 4.056 -7.122 -4.328 1.00 62.34 C ATOM 1269 CZ3 TRP A 421 3.544 -8.211 -6.390 1.00 62.45 C ATOM 1270 CH2 TRP A 421 3.257 -7.938 -5.068 1.00 31.22 C ATOM 0 HA TRP A 421 7.346 -5.492 -9.929 1.00 32.13 H new ATOM 0 HB2 TRP A 421 7.302 -7.167 -8.298 1.00 44.33 H new ATOM 0 HB3 TRP A 421 8.431 -5.958 -7.719 1.00 44.33 H new ATOM 0 HD1 TRP A 421 7.892 -4.813 -5.365 1.00 11.55 H new ATOM 0 HE1 TRP A 421 6.188 -5.372 -3.508 1.00 14.25 H new ATOM 0 HE3 TRP A 421 4.860 -7.884 -8.032 1.00 51.32 H new ATOM 0 HZ2 TRP A 421 3.832 -6.910 -3.293 1.00 62.34 H new ATOM 0 HZ3 TRP A 421 2.893 -8.863 -6.954 1.00 62.45 H new ATOM 0 HH2 TRP A 421 2.383 -8.380 -4.613 1.00 31.22 H new ATOM 1281 N VAL A 422 4.892 -6.035 -10.114 1.00 42.23 N ATOM 1282 CA VAL A 422 3.461 -6.174 -10.388 1.00 72.31 C ATOM 1283 C VAL A 422 3.091 -7.641 -10.429 1.00 72.23 C ATOM 1284 O VAL A 422 3.932 -8.469 -10.709 1.00 71.33 O ATOM 1285 CB VAL A 422 3.035 -5.494 -11.736 1.00 71.43 C ATOM 1286 CG1 VAL A 422 3.271 -3.996 -11.691 1.00 51.34 C ATOM 1287 CG2 VAL A 422 3.768 -6.108 -12.929 1.00 21.31 C ATOM 0 H VAL A 422 5.487 -6.634 -10.686 1.00 42.23 H new ATOM 0 HA VAL A 422 2.929 -5.666 -9.583 1.00 72.31 H new ATOM 0 HB VAL A 422 1.967 -5.673 -11.864 1.00 71.43 H new ATOM 0 HG11 VAL A 422 2.967 -3.551 -12.638 1.00 51.34 H new ATOM 0 HG12 VAL A 422 2.686 -3.560 -10.881 1.00 51.34 H new ATOM 0 HG13 VAL A 422 4.330 -3.799 -11.521 1.00 51.34 H new ATOM 0 HG21 VAL A 422 3.449 -5.613 -13.846 1.00 21.31 H new ATOM 0 HG22 VAL A 422 4.843 -5.978 -12.802 1.00 21.31 H new ATOM 0 HG23 VAL A 422 3.536 -7.171 -12.991 1.00 21.31 H new ATOM 1297 N ILE A 423 1.836 -7.958 -10.189 1.00 64.41 N ATOM 1298 CA ILE A 423 1.391 -9.350 -10.179 1.00 54.33 C ATOM 1299 C ILE A 423 1.141 -9.780 -11.609 1.00 12.41 C ATOM 1300 O ILE A 423 0.584 -9.007 -12.398 1.00 55.34 O ATOM 1301 CB ILE A 423 0.095 -9.527 -9.329 1.00 33.10 C ATOM 1302 CG1 ILE A 423 0.352 -9.072 -7.889 1.00 40.22 C ATOM 1303 CG2 ILE A 423 -0.389 -10.986 -9.350 1.00 35.23 C ATOM 1304 CD1 ILE A 423 -0.852 -9.158 -6.978 1.00 12.15 C ATOM 0 H ILE A 423 1.101 -7.277 -9.998 1.00 64.41 H new ATOM 0 HA ILE A 423 2.164 -9.970 -9.725 1.00 54.33 H new ATOM 0 HB ILE A 423 -0.689 -8.909 -9.767 1.00 33.10 H new ATOM 0 HG12 ILE A 423 1.154 -9.678 -7.468 1.00 40.22 H new ATOM 0 HG13 ILE A 423 0.706 -8.041 -7.905 1.00 40.22 H new ATOM 0 HG21 ILE A 423 -1.294 -11.078 -8.749 1.00 35.23 H new ATOM 0 HG22 ILE A 423 -0.604 -11.283 -10.376 1.00 35.23 H new ATOM 0 HG23 ILE A 423 0.387 -11.633 -8.939 1.00 35.23 H new ATOM 0 HD11 ILE A 423 -0.578 -8.816 -5.980 1.00 12.15 H new ATOM 0 HD12 ILE A 423 -1.651 -8.529 -7.370 1.00 12.15 H new ATOM 0 HD13 ILE A 423 -1.196 -10.191 -6.926 1.00 12.15 H new