USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=16 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 -94:sc= 1.23 USER MOD Set 1.2: A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 359 SER OG : rot -89:sc= 1.26 USER MOD Set 2.2: A 365 MET CE :methyl -129:sc= -0.714 (180deg=-2.6!) USER MOD Set 3.1: A 349 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 396 SER OG : rot 180:sc= 0 USER MOD Single : A 342 ASN : amide:sc=-0.00904 X(o=-0.009,f=-0.009) USER MOD Single : A 348 SER OG : rot 180:sc= 0 USER MOD Single : A 350 SER OG : rot 180:sc= 0 USER MOD Single : A 355 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0295) USER MOD Single : A 358 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 360 THR OG1 : rot -47:sc= 0.304 USER MOD Single : A 368 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 371 TYR OH : rot 180:sc= 0 USER MOD Single : A 372 ASN : amide:sc= -0.499 X(o=-0.5,f=-0.63) USER MOD Single : A 376 SER OG : rot 81:sc= 0.229 USER MOD Single : A 377 ASN : amide:sc= 1.18 K(o=1.2,f=-0.0035) USER MOD Single : A 380 TYR OH : rot 180:sc= 0 USER MOD Single : A 383 ASN : amide:sc= -0.0052 X(o=-0.0052,f=-0.0052) USER MOD Single : A 385 THR OG1 : rot -97:sc= 0.0184 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 :FLIP amide:sc= -0.119 F(o=-2.4!,f=-0.12) USER MOD Single : A 395 ASN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 399 HIS :FLIP no HE2:sc= 0.525 F(o=-1.7!,f=0.53) USER MOD Single : A 400 ASN : amide:sc= -1.54 K(o=-1.5,f=-4.4) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 342 -1.855 -14.791 11.473 1.00 53.44 N ATOM 2 CA ASN A 342 -1.452 -13.669 10.614 1.00 72.10 C ATOM 3 C ASN A 342 -1.693 -12.375 11.329 1.00 62.31 C ATOM 4 O ASN A 342 -2.697 -12.236 12.017 1.00 11.43 O ATOM 5 CB ASN A 342 -2.195 -13.679 9.278 1.00 1.45 C ATOM 6 CG ASN A 342 -1.864 -14.878 8.433 1.00 50.55 C ATOM 7 OD1 ASN A 342 -0.923 -14.850 7.640 1.00 72.43 O ATOM 8 ND2 ASN A 342 -2.628 -15.932 8.580 1.00 20.31 N ATOM 0 HA ASN A 342 -0.389 -13.777 10.397 1.00 72.10 H new ATOM 0 HB2 ASN A 342 -3.269 -13.658 9.465 1.00 1.45 H new ATOM 0 HB3 ASN A 342 -1.950 -12.772 8.725 1.00 1.45 H new ATOM 0 HD21 ASN A 342 -2.453 -16.770 8.026 1.00 20.31 H new ATOM 0 HD22 ASN A 342 -3.398 -15.914 9.249 1.00 20.31 H new ATOM 17 N PRO A 343 -0.788 -11.389 11.160 1.00 74.50 N ATOM 18 CA PRO A 343 -0.847 -10.082 11.872 1.00 14.45 C ATOM 19 C PRO A 343 -1.949 -9.145 11.334 1.00 32.15 C ATOM 20 O PRO A 343 -1.738 -7.950 11.176 1.00 41.40 O ATOM 21 CB PRO A 343 0.536 -9.497 11.559 1.00 13.43 C ATOM 22 CG PRO A 343 0.848 -10.033 10.220 1.00 12.32 C ATOM 23 CD PRO A 343 0.386 -11.451 10.254 1.00 61.45 C ATOM 0 HA PRO A 343 -1.080 -10.196 12.931 1.00 14.45 H new ATOM 0 HB2 PRO A 343 0.519 -8.407 11.560 1.00 13.43 H new ATOM 0 HB3 PRO A 343 1.277 -9.805 12.296 1.00 13.43 H new ATOM 0 HG2 PRO A 343 0.336 -9.470 9.440 1.00 12.32 H new ATOM 0 HG3 PRO A 343 1.916 -9.971 10.009 1.00 12.32 H new ATOM 0 HD2 PRO A 343 0.114 -11.812 9.262 1.00 61.45 H new ATOM 0 HD3 PRO A 343 1.158 -12.119 10.636 1.00 61.45 H new ATOM 31 N TRP A 344 -3.124 -9.683 11.132 1.00 22.12 N ATOM 32 CA TRP A 344 -4.249 -8.936 10.606 1.00 3.33 C ATOM 33 C TRP A 344 -5.543 -9.748 10.684 1.00 65.14 C ATOM 34 O TRP A 344 -6.624 -9.189 10.890 1.00 12.23 O ATOM 35 CB TRP A 344 -3.981 -8.459 9.155 1.00 12.21 C ATOM 36 CG TRP A 344 -3.563 -9.542 8.179 1.00 21.23 C ATOM 37 CD1 TRP A 344 -4.283 -10.615 7.760 1.00 24.40 C ATOM 38 CD2 TRP A 344 -2.335 -9.599 7.452 1.00 10.12 C ATOM 39 NE1 TRP A 344 -3.554 -11.345 6.885 1.00 52.32 N ATOM 40 CE2 TRP A 344 -2.369 -10.740 6.665 1.00 53.51 C ATOM 41 CE3 TRP A 344 -1.220 -8.807 7.407 1.00 40.53 C ATOM 42 CZ2 TRP A 344 -1.329 -11.100 5.837 1.00 22.04 C ATOM 43 CZ3 TRP A 344 -0.180 -9.158 6.578 1.00 34.14 C ATOM 44 CH2 TRP A 344 -0.245 -10.296 5.802 1.00 73.24 C ATOM 0 H TRP A 344 -3.334 -10.662 11.328 1.00 22.12 H new ATOM 0 HA TRP A 344 -4.373 -8.051 11.231 1.00 3.33 H new ATOM 0 HB2 TRP A 344 -4.884 -7.981 8.776 1.00 12.21 H new ATOM 0 HB3 TRP A 344 -3.203 -7.696 9.180 1.00 12.21 H new ATOM 0 HD1 TRP A 344 -5.288 -10.850 8.078 1.00 24.40 H new ATOM 0 HE1 TRP A 344 -3.855 -12.220 6.457 1.00 52.32 H new ATOM 0 HE3 TRP A 344 -1.157 -7.917 8.015 1.00 40.53 H new ATOM 0 HZ2 TRP A 344 -1.379 -11.996 5.236 1.00 22.04 H new ATOM 0 HZ3 TRP A 344 0.700 -8.533 6.534 1.00 34.14 H new ATOM 0 HH2 TRP A 344 0.584 -10.548 5.157 1.00 73.24 H new ATOM 55 N GLY A 345 -5.421 -11.056 10.545 1.00 65.35 N ATOM 56 CA GLY A 345 -6.569 -11.923 10.530 1.00 41.42 C ATOM 57 C GLY A 345 -6.193 -13.285 10.006 1.00 53.44 C ATOM 58 O GLY A 345 -5.117 -13.786 10.326 1.00 24.45 O ATOM 0 H GLY A 345 -4.528 -11.537 10.441 1.00 65.35 H new ATOM 0 HA2 GLY A 345 -6.977 -12.014 11.537 1.00 41.42 H new ATOM 0 HA3 GLY A 345 -7.351 -11.490 9.907 1.00 41.42 H new ATOM 62 N ALA A 346 -7.038 -13.865 9.172 1.00 20.14 N ATOM 63 CA ALA A 346 -6.805 -15.210 8.642 1.00 11.25 C ATOM 64 C ALA A 346 -6.277 -15.153 7.228 1.00 41.23 C ATOM 65 O ALA A 346 -5.800 -16.155 6.691 1.00 2.33 O ATOM 66 CB ALA A 346 -8.084 -16.027 8.681 1.00 20.31 C ATOM 0 H ALA A 346 -7.898 -13.428 8.842 1.00 20.14 H new ATOM 0 HA ALA A 346 -6.056 -15.690 9.272 1.00 11.25 H new ATOM 0 HB1 ALA A 346 -7.892 -17.023 8.283 1.00 20.31 H new ATOM 0 HB2 ALA A 346 -8.433 -16.108 9.711 1.00 20.31 H new ATOM 0 HB3 ALA A 346 -8.848 -15.537 8.077 1.00 20.31 H new ATOM 72 N GLU A 347 -6.379 -13.986 6.625 1.00 44.32 N ATOM 73 CA GLU A 347 -5.909 -13.753 5.271 1.00 43.44 C ATOM 74 C GLU A 347 -4.413 -14.014 5.201 1.00 52.24 C ATOM 75 O GLU A 347 -3.721 -13.892 6.195 1.00 63.03 O ATOM 76 CB GLU A 347 -6.191 -12.296 4.819 1.00 72.11 C ATOM 77 CG GLU A 347 -7.654 -11.819 4.921 1.00 24.54 C ATOM 78 CD GLU A 347 -8.128 -11.553 6.348 1.00 43.13 C ATOM 79 OE1 GLU A 347 -8.598 -12.497 7.029 1.00 62.52 O ATOM 80 OE2 GLU A 347 -8.036 -10.394 6.802 1.00 72.30 O ATOM 0 H GLU A 347 -6.794 -13.164 7.064 1.00 44.32 H new ATOM 0 HA GLU A 347 -6.444 -14.431 4.606 1.00 43.44 H new ATOM 0 HB2 GLU A 347 -5.571 -11.627 5.415 1.00 72.11 H new ATOM 0 HB3 GLU A 347 -5.868 -12.191 3.783 1.00 72.11 H new ATOM 0 HG2 GLU A 347 -7.768 -10.906 4.336 1.00 24.54 H new ATOM 0 HG3 GLU A 347 -8.302 -12.570 4.469 1.00 24.54 H new ATOM 87 N SER A 348 -3.918 -14.353 4.058 1.00 51.44 N ATOM 88 CA SER A 348 -2.512 -14.584 3.917 1.00 21.51 C ATOM 89 C SER A 348 -1.859 -13.356 3.351 1.00 15.42 C ATOM 90 O SER A 348 -2.544 -12.486 2.785 1.00 5.10 O ATOM 91 CB SER A 348 -2.251 -15.783 3.023 1.00 55.42 C ATOM 92 OG SER A 348 -2.784 -16.973 3.589 1.00 52.30 O ATOM 0 H SER A 348 -4.463 -14.477 3.205 1.00 51.44 H new ATOM 0 HA SER A 348 -2.088 -14.798 4.898 1.00 21.51 H new ATOM 0 HB2 SER A 348 -2.696 -15.613 2.043 1.00 55.42 H new ATOM 0 HB3 SER A 348 -1.178 -15.899 2.870 1.00 55.42 H new ATOM 0 HG SER A 348 -2.603 -17.729 2.992 1.00 52.30 H new ATOM 98 N TYR A 349 -0.555 -13.265 3.523 1.00 51.33 N ATOM 99 CA TYR A 349 0.222 -12.162 3.017 1.00 50.31 C ATOM 100 C TYR A 349 -0.023 -11.944 1.553 1.00 74.23 C ATOM 101 O TYR A 349 -0.535 -10.911 1.186 1.00 61.21 O ATOM 102 CB TYR A 349 1.699 -12.370 3.284 1.00 12.32 C ATOM 103 CG TYR A 349 2.118 -12.264 4.736 1.00 34.21 C ATOM 104 CD1 TYR A 349 1.887 -13.290 5.641 1.00 24.14 C ATOM 105 CD2 TYR A 349 2.774 -11.128 5.190 1.00 71.14 C ATOM 106 CE1 TYR A 349 2.292 -13.185 6.953 1.00 55.33 C ATOM 107 CE2 TYR A 349 3.178 -11.014 6.500 1.00 34.13 C ATOM 108 CZ TYR A 349 2.938 -12.042 7.376 1.00 41.14 C ATOM 109 OH TYR A 349 3.356 -11.934 8.686 1.00 42.23 O ATOM 0 H TYR A 349 -0.005 -13.963 4.023 1.00 51.33 H new ATOM 0 HA TYR A 349 -0.100 -11.266 3.548 1.00 50.31 H new ATOM 0 HB2 TYR A 349 1.983 -13.355 2.912 1.00 12.32 H new ATOM 0 HB3 TYR A 349 2.262 -11.637 2.706 1.00 12.32 H new ATOM 0 HD1 TYR A 349 1.381 -14.186 5.311 1.00 24.14 H new ATOM 0 HD2 TYR A 349 2.971 -10.319 4.502 1.00 71.14 H new ATOM 0 HE1 TYR A 349 2.105 -13.992 7.646 1.00 55.33 H new ATOM 0 HE2 TYR A 349 3.681 -10.120 6.837 1.00 34.13 H new ATOM 0 HH TYR A 349 3.794 -11.068 8.819 1.00 42.23 H new ATOM 119 N SER A 350 0.310 -12.927 0.723 1.00 12.11 N ATOM 120 CA SER A 350 0.093 -12.812 -0.724 1.00 63.13 C ATOM 121 C SER A 350 -1.370 -12.425 -1.078 1.00 60.31 C ATOM 122 O SER A 350 -1.597 -11.709 -2.056 1.00 64.11 O ATOM 123 CB SER A 350 0.499 -14.096 -1.428 1.00 30.31 C ATOM 124 OG SER A 350 1.856 -14.432 -1.123 1.00 63.41 O ATOM 0 H SER A 350 0.729 -13.809 1.020 1.00 12.11 H new ATOM 0 HA SER A 350 0.727 -12.000 -1.079 1.00 63.13 H new ATOM 0 HB2 SER A 350 -0.160 -14.909 -1.122 1.00 30.31 H new ATOM 0 HB3 SER A 350 0.381 -13.979 -2.505 1.00 30.31 H new ATOM 0 HG SER A 350 2.099 -15.262 -1.584 1.00 63.41 H new ATOM 130 N ASP A 351 -2.346 -12.864 -0.260 1.00 73.40 N ATOM 131 CA ASP A 351 -3.750 -12.488 -0.491 1.00 61.32 C ATOM 132 C ASP A 351 -3.939 -10.995 -0.305 1.00 61.14 C ATOM 133 O ASP A 351 -4.549 -10.325 -1.141 1.00 32.15 O ATOM 134 CB ASP A 351 -4.742 -13.241 0.422 1.00 72.40 C ATOM 135 CG ASP A 351 -4.859 -14.714 0.134 1.00 23.33 C ATOM 136 OD1 ASP A 351 -5.439 -15.091 -0.896 1.00 15.02 O ATOM 137 OD2 ASP A 351 -4.421 -15.518 0.956 1.00 3.53 O ATOM 0 H ASP A 351 -2.192 -13.466 0.549 1.00 73.40 H new ATOM 0 HA ASP A 351 -3.971 -12.773 -1.520 1.00 61.32 H new ATOM 0 HB2 ASP A 351 -4.433 -13.110 1.459 1.00 72.40 H new ATOM 0 HB3 ASP A 351 -5.727 -12.785 0.322 1.00 72.40 H new ATOM 142 N LEU A 352 -3.422 -10.467 0.787 1.00 52.14 N ATOM 143 CA LEU A 352 -3.526 -9.061 1.051 1.00 31.21 C ATOM 144 C LEU A 352 -2.587 -8.218 0.193 1.00 20.03 C ATOM 145 O LEU A 352 -2.922 -7.093 -0.149 1.00 31.23 O ATOM 146 CB LEU A 352 -3.351 -8.734 2.509 1.00 1.02 C ATOM 147 CG LEU A 352 -4.414 -9.228 3.484 1.00 33.31 C ATOM 148 CD1 LEU A 352 -4.185 -8.588 4.810 1.00 11.15 C ATOM 149 CD2 LEU A 352 -5.811 -8.929 2.980 1.00 51.33 C ATOM 0 H LEU A 352 -2.926 -10.999 1.502 1.00 52.14 H new ATOM 0 HA LEU A 352 -4.545 -8.794 0.769 1.00 31.21 H new ATOM 0 HB2 LEU A 352 -2.390 -9.137 2.829 1.00 1.02 H new ATOM 0 HB3 LEU A 352 -3.289 -7.650 2.603 1.00 1.02 H new ATOM 0 HG LEU A 352 -4.333 -10.311 3.578 1.00 33.31 H new ATOM 0 HD11 LEU A 352 -4.940 -8.934 5.516 1.00 11.15 H new ATOM 0 HD12 LEU A 352 -3.194 -8.856 5.177 1.00 11.15 H new ATOM 0 HD13 LEU A 352 -4.253 -7.505 4.708 1.00 11.15 H new ATOM 0 HD21 LEU A 352 -6.543 -9.295 3.700 1.00 51.33 H new ATOM 0 HD22 LEU A 352 -5.930 -7.853 2.856 1.00 51.33 H new ATOM 0 HD23 LEU A 352 -5.966 -9.424 2.021 1.00 51.33 H new ATOM 161 N ILE A 353 -1.410 -8.747 -0.134 1.00 21.22 N ATOM 162 CA ILE A 353 -0.465 -8.050 -1.023 1.00 34.33 C ATOM 163 C ILE A 353 -1.138 -7.794 -2.345 1.00 64.12 C ATOM 164 O ILE A 353 -1.003 -6.715 -2.921 1.00 35.31 O ATOM 165 CB ILE A 353 0.834 -8.867 -1.248 1.00 3.03 C ATOM 166 CG1 ILE A 353 1.544 -9.055 0.100 1.00 62.54 C ATOM 167 CG2 ILE A 353 1.752 -8.154 -2.259 1.00 31.11 C ATOM 168 CD1 ILE A 353 2.695 -10.021 0.085 1.00 71.50 C ATOM 0 H ILE A 353 -1.082 -9.654 0.199 1.00 21.22 H new ATOM 0 HA ILE A 353 -0.181 -7.111 -0.548 1.00 34.33 H new ATOM 0 HB ILE A 353 0.585 -9.844 -1.662 1.00 3.03 H new ATOM 0 HG12 ILE A 353 1.908 -8.085 0.440 1.00 62.54 H new ATOM 0 HG13 ILE A 353 0.813 -9.396 0.833 1.00 62.54 H new ATOM 0 HG21 ILE A 353 2.659 -8.741 -2.405 1.00 31.11 H new ATOM 0 HG22 ILE A 353 1.232 -8.048 -3.211 1.00 31.11 H new ATOM 0 HG23 ILE A 353 2.016 -7.168 -1.878 1.00 31.11 H new ATOM 0 HD11 ILE A 353 3.130 -10.084 1.083 1.00 71.50 H new ATOM 0 HD12 ILE A 353 2.340 -11.006 -0.219 1.00 71.50 H new ATOM 0 HD13 ILE A 353 3.452 -9.675 -0.619 1.00 71.50 H new ATOM 180 N ALA A 354 -1.885 -8.789 -2.809 1.00 22.53 N ATOM 181 CA ALA A 354 -2.678 -8.644 -4.007 1.00 14.23 C ATOM 182 C ALA A 354 -3.640 -7.463 -3.858 1.00 41.40 C ATOM 183 O ALA A 354 -3.750 -6.664 -4.754 1.00 55.21 O ATOM 184 CB ALA A 354 -3.440 -9.920 -4.303 1.00 2.23 C ATOM 0 H ALA A 354 -1.953 -9.705 -2.366 1.00 22.53 H new ATOM 0 HA ALA A 354 -2.010 -8.448 -4.846 1.00 14.23 H new ATOM 0 HB1 ALA A 354 -4.031 -9.789 -5.210 1.00 2.23 H new ATOM 0 HB2 ALA A 354 -2.736 -10.740 -4.444 1.00 2.23 H new ATOM 0 HB3 ALA A 354 -4.102 -10.150 -3.468 1.00 2.23 H new ATOM 190 N LYS A 355 -4.305 -7.348 -2.689 1.00 5.34 N ATOM 191 CA LYS A 355 -5.228 -6.220 -2.421 1.00 2.02 C ATOM 192 C LYS A 355 -4.509 -4.886 -2.416 1.00 52.42 C ATOM 193 O LYS A 355 -5.051 -3.880 -2.878 1.00 74.35 O ATOM 194 CB LYS A 355 -5.984 -6.366 -1.106 1.00 44.12 C ATOM 195 CG LYS A 355 -6.971 -7.448 -1.063 1.00 74.24 C ATOM 196 CD LYS A 355 -7.670 -7.426 0.255 1.00 2.41 C ATOM 197 CE LYS A 355 -8.973 -8.132 0.178 1.00 40.42 C ATOM 198 NZ LYS A 355 -8.864 -9.556 -0.256 1.00 41.43 N ATOM 0 H LYS A 355 -4.223 -8.014 -1.921 1.00 5.34 H new ATOM 0 HA LYS A 355 -5.947 -6.248 -3.240 1.00 2.02 H new ATOM 0 HB2 LYS A 355 -5.260 -6.526 -0.307 1.00 44.12 H new ATOM 0 HB3 LYS A 355 -6.492 -5.426 -0.893 1.00 44.12 H new ATOM 0 HG2 LYS A 355 -7.692 -7.330 -1.872 1.00 74.24 H new ATOM 0 HG3 LYS A 355 -6.480 -8.410 -1.211 1.00 74.24 H new ATOM 0 HD2 LYS A 355 -7.042 -7.896 1.012 1.00 2.41 H new ATOM 0 HD3 LYS A 355 -7.829 -6.394 0.569 1.00 2.41 H new ATOM 0 HE2 LYS A 355 -9.453 -8.096 1.156 1.00 40.42 H new ATOM 0 HE3 LYS A 355 -9.623 -7.600 -0.516 1.00 40.42 H new ATOM 0 HZ1 LYS A 355 -9.789 -10.021 -0.157 1.00 41.43 H new ATOM 0 HZ2 LYS A 355 -8.562 -9.594 -1.251 1.00 41.43 H new ATOM 0 HZ3 LYS A 355 -8.165 -10.047 0.337 1.00 41.43 H new ATOM 212 N ALA A 356 -3.313 -4.874 -1.874 1.00 43.11 N ATOM 213 CA ALA A 356 -2.511 -3.671 -1.848 1.00 14.22 C ATOM 214 C ALA A 356 -2.215 -3.254 -3.247 1.00 0.44 C ATOM 215 O ALA A 356 -2.492 -2.129 -3.645 1.00 51.21 O ATOM 216 CB ALA A 356 -1.215 -3.894 -1.070 1.00 33.50 C ATOM 0 H ALA A 356 -2.872 -5.687 -1.443 1.00 43.11 H new ATOM 0 HA ALA A 356 -3.067 -2.882 -1.342 1.00 14.22 H new ATOM 0 HB1 ALA A 356 -0.630 -2.974 -1.066 1.00 33.50 H new ATOM 0 HB2 ALA A 356 -1.451 -4.179 -0.045 1.00 33.50 H new ATOM 0 HB3 ALA A 356 -0.638 -4.688 -1.544 1.00 33.50 H new ATOM 222 N LEU A 357 -1.726 -4.194 -3.996 1.00 54.51 N ATOM 223 CA LEU A 357 -1.340 -4.017 -5.374 1.00 51.01 C ATOM 224 C LEU A 357 -2.578 -3.585 -6.174 1.00 14.34 C ATOM 225 O LEU A 357 -2.507 -2.734 -7.044 1.00 43.01 O ATOM 226 CB LEU A 357 -0.856 -5.368 -5.848 1.00 34.34 C ATOM 227 CG LEU A 357 0.317 -5.415 -6.826 1.00 62.32 C ATOM 228 CD1 LEU A 357 -0.050 -4.839 -8.188 1.00 11.40 C ATOM 229 CD2 LEU A 357 1.516 -4.671 -6.254 1.00 11.34 C ATOM 0 H LEU A 357 -1.577 -5.144 -3.657 1.00 54.51 H new ATOM 0 HA LEU A 357 -0.565 -3.261 -5.499 1.00 51.01 H new ATOM 0 HB2 LEU A 357 -0.579 -5.949 -4.968 1.00 34.34 H new ATOM 0 HB3 LEU A 357 -1.699 -5.878 -6.315 1.00 34.34 H new ATOM 0 HG LEU A 357 0.576 -6.464 -6.968 1.00 62.32 H new ATOM 0 HD11 LEU A 357 0.814 -4.893 -8.851 1.00 11.40 H new ATOM 0 HD12 LEU A 357 -0.872 -5.413 -8.616 1.00 11.40 H new ATOM 0 HD13 LEU A 357 -0.355 -3.799 -8.073 1.00 11.40 H new ATOM 0 HD21 LEU A 357 2.343 -4.714 -6.963 1.00 11.34 H new ATOM 0 HD22 LEU A 357 1.246 -3.630 -6.074 1.00 11.34 H new ATOM 0 HD23 LEU A 357 1.818 -5.135 -5.315 1.00 11.34 H new ATOM 241 N LYS A 358 -3.719 -4.176 -5.814 1.00 41.52 N ATOM 242 CA LYS A 358 -5.032 -3.874 -6.398 1.00 15.33 C ATOM 243 C LYS A 358 -5.419 -2.410 -6.344 1.00 72.25 C ATOM 244 O LYS A 358 -6.277 -1.981 -7.113 1.00 0.45 O ATOM 245 CB LYS A 358 -6.121 -4.693 -5.720 1.00 22.24 C ATOM 246 CG LYS A 358 -6.286 -6.104 -6.264 1.00 5.45 C ATOM 247 CD LYS A 358 -7.333 -6.207 -7.391 1.00 20.24 C ATOM 248 CE LYS A 358 -7.033 -5.331 -8.596 1.00 51.40 C ATOM 249 NZ LYS A 358 -8.057 -5.482 -9.652 1.00 45.11 N ATOM 0 H LYS A 358 -3.759 -4.895 -5.092 1.00 41.52 H new ATOM 0 HA LYS A 358 -4.940 -4.140 -7.451 1.00 15.33 H new ATOM 0 HB2 LYS A 358 -5.902 -4.752 -4.654 1.00 22.24 H new ATOM 0 HB3 LYS A 358 -7.070 -4.166 -5.821 1.00 22.24 H new ATOM 0 HG2 LYS A 358 -5.325 -6.456 -6.638 1.00 5.45 H new ATOM 0 HG3 LYS A 358 -6.574 -6.768 -5.449 1.00 5.45 H new ATOM 0 HD2 LYS A 358 -7.400 -7.245 -7.717 1.00 20.24 H new ATOM 0 HD3 LYS A 358 -8.310 -5.935 -6.991 1.00 20.24 H new ATOM 0 HE2 LYS A 358 -6.984 -4.288 -8.284 1.00 51.40 H new ATOM 0 HE3 LYS A 358 -6.054 -5.590 -8.999 1.00 51.40 H new ATOM 0 HZ1 LYS A 358 -7.818 -4.869 -10.457 1.00 45.11 H new ATOM 0 HZ2 LYS A 358 -8.087 -6.473 -9.968 1.00 45.11 H new ATOM 0 HZ3 LYS A 358 -8.987 -5.211 -9.275 1.00 45.11 H new ATOM 263 N SER A 359 -4.805 -1.635 -5.463 1.00 72.14 N ATOM 264 CA SER A 359 -5.148 -0.231 -5.365 1.00 34.35 C ATOM 265 C SER A 359 -4.615 0.581 -6.574 1.00 13.24 C ATOM 266 O SER A 359 -5.066 1.704 -6.822 1.00 51.53 O ATOM 267 CB SER A 359 -4.673 0.373 -4.025 1.00 31.34 C ATOM 268 OG SER A 359 -3.254 0.343 -3.885 1.00 63.13 O ATOM 0 H SER A 359 -4.080 -1.950 -4.818 1.00 72.14 H new ATOM 0 HA SER A 359 -6.236 -0.164 -5.390 1.00 34.35 H new ATOM 0 HB2 SER A 359 -5.020 1.404 -3.951 1.00 31.34 H new ATOM 0 HB3 SER A 359 -5.128 -0.177 -3.201 1.00 31.34 H new ATOM 0 HG SER A 359 -2.984 -0.502 -3.468 1.00 63.13 H new ATOM 274 N THR A 360 -3.679 0.003 -7.317 1.00 45.42 N ATOM 275 CA THR A 360 -3.059 0.673 -8.457 1.00 20.54 C ATOM 276 C THR A 360 -2.538 -0.420 -9.430 1.00 44.13 C ATOM 277 O THR A 360 -1.567 -0.232 -10.169 1.00 4.41 O ATOM 278 CB THR A 360 -1.875 1.553 -7.936 1.00 12.23 C ATOM 279 OG1 THR A 360 -1.300 2.352 -8.991 1.00 2.51 O ATOM 280 CG2 THR A 360 -0.806 0.677 -7.326 1.00 31.04 C ATOM 0 H THR A 360 -3.328 -0.940 -7.148 1.00 45.42 H new ATOM 0 HA THR A 360 -3.772 1.313 -8.977 1.00 20.54 H new ATOM 0 HB THR A 360 -2.275 2.228 -7.179 1.00 12.23 H new ATOM 0 HG1 THR A 360 -1.153 1.792 -9.782 1.00 2.51 H new ATOM 0 HG21 THR A 360 0.013 1.300 -6.967 1.00 31.04 H new ATOM 0 HG22 THR A 360 -1.228 0.115 -6.492 1.00 31.04 H new ATOM 0 HG23 THR A 360 -0.431 -0.017 -8.078 1.00 31.04 H new ATOM 288 N PHE A 361 -3.287 -1.507 -9.479 1.00 14.42 N ATOM 289 CA PHE A 361 -2.939 -2.759 -10.178 1.00 75.24 C ATOM 290 C PHE A 361 -2.736 -2.532 -11.672 1.00 51.33 C ATOM 291 O PHE A 361 -2.029 -3.300 -12.353 1.00 54.12 O ATOM 292 CB PHE A 361 -4.102 -3.715 -9.990 1.00 32.43 C ATOM 293 CG PHE A 361 -3.787 -5.172 -10.148 1.00 0.24 C ATOM 294 CD1 PHE A 361 -3.812 -5.796 -11.383 1.00 34.44 C ATOM 295 CD2 PHE A 361 -3.482 -5.923 -9.033 1.00 5.43 C ATOM 296 CE1 PHE A 361 -3.533 -7.144 -11.492 1.00 25.01 C ATOM 297 CE2 PHE A 361 -3.210 -7.256 -9.131 1.00 11.14 C ATOM 298 CZ PHE A 361 -3.232 -7.876 -10.362 1.00 31.43 C ATOM 0 H PHE A 361 -4.195 -1.557 -9.017 1.00 14.42 H new ATOM 0 HA PHE A 361 -2.008 -3.152 -9.769 1.00 75.24 H new ATOM 0 HB2 PHE A 361 -4.517 -3.559 -8.994 1.00 32.43 H new ATOM 0 HB3 PHE A 361 -4.882 -3.453 -10.705 1.00 32.43 H new ATOM 0 HD1 PHE A 361 -4.051 -5.225 -12.268 1.00 34.44 H new ATOM 0 HD2 PHE A 361 -3.458 -5.447 -8.064 1.00 5.43 H new ATOM 0 HE1 PHE A 361 -3.550 -7.624 -12.459 1.00 25.01 H new ATOM 0 HE2 PHE A 361 -2.977 -7.826 -8.244 1.00 11.14 H new ATOM 0 HZ PHE A 361 -3.014 -8.931 -10.442 1.00 31.43 H new ATOM 308 N ASP A 362 -3.334 -1.485 -12.170 1.00 41.11 N ATOM 309 CA ASP A 362 -3.301 -1.188 -13.600 1.00 44.40 C ATOM 310 C ASP A 362 -2.051 -0.430 -13.957 1.00 23.43 C ATOM 311 O ASP A 362 -1.720 -0.252 -15.137 1.00 13.11 O ATOM 312 CB ASP A 362 -4.550 -0.418 -14.050 1.00 30.20 C ATOM 313 CG ASP A 362 -5.828 -1.206 -13.866 1.00 32.33 C ATOM 314 OD1 ASP A 362 -6.122 -2.081 -14.693 1.00 22.51 O ATOM 315 OD2 ASP A 362 -6.556 -0.970 -12.869 1.00 22.44 O ATOM 0 H ASP A 362 -3.858 -0.810 -11.612 1.00 41.11 H new ATOM 0 HA ASP A 362 -3.294 -2.139 -14.132 1.00 44.40 H new ATOM 0 HB2 ASP A 362 -4.619 0.513 -13.487 1.00 30.20 H new ATOM 0 HB3 ASP A 362 -4.444 -0.147 -15.101 1.00 30.20 H new ATOM 320 N GLY A 363 -1.358 0.010 -12.947 1.00 14.15 N ATOM 321 CA GLY A 363 -0.136 0.702 -13.131 1.00 33.21 C ATOM 322 C GLY A 363 0.991 -0.044 -12.481 1.00 52.14 C ATOM 323 O GLY A 363 1.435 -1.085 -12.987 1.00 70.02 O ATOM 0 H GLY A 363 -1.634 -0.107 -11.972 1.00 14.15 H new ATOM 0 HA2 GLY A 363 0.065 0.821 -14.196 1.00 33.21 H new ATOM 0 HA3 GLY A 363 -0.210 1.703 -12.707 1.00 33.21 H new ATOM 327 N ARG A 364 1.442 0.458 -11.361 1.00 45.21 N ATOM 328 CA ARG A 364 2.546 -0.121 -10.634 1.00 3.41 C ATOM 329 C ARG A 364 2.526 0.344 -9.196 1.00 74.41 C ATOM 330 O ARG A 364 2.002 1.430 -8.904 1.00 5.44 O ATOM 331 CB ARG A 364 3.882 0.216 -11.359 1.00 75.33 C ATOM 332 CG ARG A 364 4.111 1.715 -11.658 1.00 72.53 C ATOM 333 CD ARG A 364 4.504 2.514 -10.431 1.00 74.23 C ATOM 334 NE ARG A 364 4.454 3.958 -10.672 1.00 12.53 N ATOM 335 CZ ARG A 364 5.484 4.724 -11.025 1.00 41.42 C ATOM 336 NH1 ARG A 364 6.678 4.179 -11.265 1.00 44.44 N ATOM 337 NH2 ARG A 364 5.315 6.037 -11.134 1.00 73.30 N ATOM 0 H ARG A 364 1.049 1.290 -10.921 1.00 45.21 H new ATOM 0 HA ARG A 364 2.452 -1.207 -10.613 1.00 3.41 H new ATOM 0 HB2 ARG A 364 4.709 -0.146 -10.748 1.00 75.33 H new ATOM 0 HB3 ARG A 364 3.915 -0.334 -12.299 1.00 75.33 H new ATOM 0 HG2 ARG A 364 4.891 1.813 -12.413 1.00 72.53 H new ATOM 0 HG3 ARG A 364 3.201 2.138 -12.083 1.00 72.53 H new ATOM 0 HD2 ARG A 364 3.837 2.262 -9.606 1.00 74.23 H new ATOM 0 HD3 ARG A 364 5.511 2.233 -10.124 1.00 74.23 H new ATOM 0 HE ARG A 364 3.550 4.417 -10.559 1.00 12.53 H new ATOM 0 HH11 ARG A 364 6.805 3.171 -11.178 1.00 44.44 H new ATOM 0 HH12 ARG A 364 7.464 4.771 -11.535 1.00 44.44 H new ATOM 0 HH21 ARG A 364 4.402 6.451 -10.948 1.00 73.30 H new ATOM 0 HH22 ARG A 364 6.099 6.631 -11.404 1.00 73.30 H new ATOM 351 N MET A 365 3.070 -0.442 -8.303 1.00 22.30 N ATOM 352 CA MET A 365 3.125 -0.055 -6.916 1.00 52.54 C ATOM 353 C MET A 365 4.519 -0.314 -6.440 1.00 32.54 C ATOM 354 O MET A 365 5.170 -1.196 -6.942 1.00 12.13 O ATOM 355 CB MET A 365 2.149 -0.907 -6.095 1.00 42.11 C ATOM 356 CG MET A 365 1.767 -0.311 -4.770 1.00 52.44 C ATOM 357 SD MET A 365 0.460 -1.221 -3.963 1.00 72.40 S ATOM 358 CE MET A 365 0.093 -0.124 -2.614 1.00 60.11 C ATOM 0 H MET A 365 3.481 -1.352 -8.510 1.00 22.30 H new ATOM 0 HA MET A 365 2.854 0.995 -6.801 1.00 52.54 H new ATOM 0 HB2 MET A 365 1.244 -1.068 -6.681 1.00 42.11 H new ATOM 0 HB3 MET A 365 2.596 -1.886 -5.924 1.00 42.11 H new ATOM 0 HG2 MET A 365 2.642 -0.286 -4.121 1.00 52.44 H new ATOM 0 HG3 MET A 365 1.449 0.721 -4.917 1.00 52.44 H new ATOM 0 HE1 MET A 365 0.102 -0.683 -1.678 1.00 60.11 H new ATOM 0 HE2 MET A 365 0.844 0.665 -2.572 1.00 60.11 H new ATOM 0 HE3 MET A 365 -0.892 0.319 -2.763 1.00 60.11 H new ATOM 368 N ARG A 366 4.997 0.457 -5.535 1.00 43.15 N ATOM 369 CA ARG A 366 6.288 0.173 -4.958 1.00 53.05 C ATOM 370 C ARG A 366 6.104 -0.731 -3.789 1.00 34.32 C ATOM 371 O ARG A 366 5.036 -0.740 -3.166 1.00 33.13 O ATOM 372 CB ARG A 366 7.062 1.415 -4.462 1.00 12.02 C ATOM 373 CG ARG A 366 7.724 2.327 -5.493 1.00 72.22 C ATOM 374 CD ARG A 366 6.758 3.081 -6.366 1.00 65.03 C ATOM 375 NE ARG A 366 7.482 4.037 -7.208 1.00 13.14 N ATOM 376 CZ ARG A 366 6.936 5.076 -7.843 1.00 21.41 C ATOM 377 NH1 ARG A 366 5.620 5.269 -7.814 1.00 11.10 N ATOM 378 NH2 ARG A 366 7.718 5.912 -8.517 1.00 35.42 N ATOM 0 H ARG A 366 4.530 1.287 -5.170 1.00 43.15 H new ATOM 0 HA ARG A 366 6.876 -0.274 -5.760 1.00 53.05 H new ATOM 0 HB2 ARG A 366 6.371 2.023 -3.878 1.00 12.02 H new ATOM 0 HB3 ARG A 366 7.838 1.070 -3.779 1.00 12.02 H new ATOM 0 HG2 ARG A 366 8.359 3.043 -4.972 1.00 72.22 H new ATOM 0 HG3 ARG A 366 8.375 1.726 -6.127 1.00 72.22 H new ATOM 0 HD2 ARG A 366 6.200 2.384 -6.991 1.00 65.03 H new ATOM 0 HD3 ARG A 366 6.031 3.607 -5.747 1.00 65.03 H new ATOM 0 HE ARG A 366 8.486 3.897 -7.318 1.00 13.14 H new ATOM 0 HH11 ARG A 366 5.021 4.620 -7.304 1.00 11.10 H new ATOM 0 HH12 ARG A 366 5.211 6.066 -8.302 1.00 11.10 H new ATOM 0 HH21 ARG A 366 8.726 5.757 -8.546 1.00 35.42 H new ATOM 0 HH22 ARG A 366 7.311 6.709 -9.006 1.00 35.42 H new ATOM 392 N LEU A 367 7.125 -1.478 -3.487 1.00 31.15 N ATOM 393 CA LEU A 367 7.159 -2.299 -2.315 1.00 41.44 C ATOM 394 C LEU A 367 6.927 -1.446 -1.048 1.00 42.34 C ATOM 395 O LEU A 367 6.230 -1.869 -0.120 1.00 70.21 O ATOM 396 CB LEU A 367 8.480 -3.066 -2.303 1.00 5.35 C ATOM 397 CG LEU A 367 8.861 -3.831 -1.055 1.00 31.11 C ATOM 398 CD1 LEU A 367 7.732 -4.711 -0.598 1.00 61.33 C ATOM 399 CD2 LEU A 367 10.055 -4.677 -1.380 1.00 14.11 C ATOM 0 H LEU A 367 7.969 -1.534 -4.057 1.00 31.15 H new ATOM 0 HA LEU A 367 6.350 -3.029 -2.326 1.00 41.44 H new ATOM 0 HB2 LEU A 367 8.460 -3.774 -3.132 1.00 5.35 H new ATOM 0 HB3 LEU A 367 9.278 -2.354 -2.512 1.00 5.35 H new ATOM 0 HG LEU A 367 9.086 -3.129 -0.252 1.00 31.11 H new ATOM 0 HD11 LEU A 367 8.032 -5.250 0.301 1.00 61.33 H new ATOM 0 HD12 LEU A 367 6.858 -4.097 -0.379 1.00 61.33 H new ATOM 0 HD13 LEU A 367 7.486 -5.425 -1.384 1.00 61.33 H new ATOM 0 HD21 LEU A 367 10.353 -5.241 -0.496 1.00 14.11 H new ATOM 0 HD22 LEU A 367 9.803 -5.368 -2.184 1.00 14.11 H new ATOM 0 HD23 LEU A 367 10.879 -4.037 -1.696 1.00 14.11 H new ATOM 411 N ASN A 368 7.467 -0.233 -1.048 1.00 52.13 N ATOM 412 CA ASN A 368 7.234 0.711 0.057 1.00 23.32 C ATOM 413 C ASN A 368 5.758 1.082 0.164 1.00 51.11 C ATOM 414 O ASN A 368 5.224 1.220 1.261 1.00 23.13 O ATOM 415 CB ASN A 368 8.075 1.993 -0.083 1.00 71.10 C ATOM 416 CG ASN A 368 9.573 1.793 0.107 1.00 13.40 C ATOM 417 OD1 ASN A 368 10.131 0.731 -0.181 1.00 64.43 O ATOM 418 ND2 ASN A 368 10.231 2.808 0.602 1.00 73.24 N ATOM 0 H ASN A 368 8.066 0.126 -1.792 1.00 52.13 H new ATOM 0 HA ASN A 368 7.544 0.198 0.967 1.00 23.32 H new ATOM 0 HB2 ASN A 368 7.901 2.420 -1.071 1.00 71.10 H new ATOM 0 HB3 ASN A 368 7.724 2.723 0.646 1.00 71.10 H new ATOM 0 HD21 ASN A 368 11.236 2.736 0.761 1.00 73.24 H new ATOM 0 HD22 ASN A 368 9.740 3.672 0.829 1.00 73.24 H new ATOM 425 N GLU A 369 5.095 1.207 -0.978 1.00 24.21 N ATOM 426 CA GLU A 369 3.687 1.579 -1.010 1.00 44.42 C ATOM 427 C GLU A 369 2.824 0.422 -0.551 1.00 32.25 C ATOM 428 O GLU A 369 1.819 0.627 0.122 1.00 73.04 O ATOM 429 CB GLU A 369 3.274 2.032 -2.391 1.00 41.33 C ATOM 430 CG GLU A 369 4.049 3.226 -2.895 1.00 34.31 C ATOM 431 CD GLU A 369 3.636 3.615 -4.277 1.00 32.24 C ATOM 432 OE1 GLU A 369 3.854 2.828 -5.197 1.00 65.12 O ATOM 433 OE2 GLU A 369 3.101 4.725 -4.462 1.00 30.42 O ATOM 0 H GLU A 369 5.511 1.056 -1.897 1.00 24.21 H new ATOM 0 HA GLU A 369 3.544 2.415 -0.326 1.00 44.42 H new ATOM 0 HB2 GLU A 369 3.404 1.205 -3.089 1.00 41.33 H new ATOM 0 HB3 GLU A 369 2.212 2.277 -2.381 1.00 41.33 H new ATOM 0 HG2 GLU A 369 3.897 4.068 -2.220 1.00 34.31 H new ATOM 0 HG3 GLU A 369 5.115 2.998 -2.885 1.00 34.31 H new ATOM 440 N ILE A 370 3.217 -0.793 -0.936 1.00 50.33 N ATOM 441 CA ILE A 370 2.572 -2.013 -0.445 1.00 65.41 C ATOM 442 C ILE A 370 2.554 -2.008 1.083 1.00 13.51 C ATOM 443 O ILE A 370 1.516 -2.243 1.699 1.00 21.32 O ATOM 444 CB ILE A 370 3.310 -3.269 -0.992 1.00 64.32 C ATOM 445 CG1 ILE A 370 3.080 -3.377 -2.507 1.00 62.41 C ATOM 446 CG2 ILE A 370 2.902 -4.573 -0.263 1.00 44.12 C ATOM 447 CD1 ILE A 370 3.856 -4.476 -3.156 1.00 63.43 C ATOM 0 H ILE A 370 3.982 -0.959 -1.589 1.00 50.33 H new ATOM 0 HA ILE A 370 1.543 -2.046 -0.802 1.00 65.41 H new ATOM 0 HB ILE A 370 4.375 -3.143 -0.795 1.00 64.32 H new ATOM 0 HG12 ILE A 370 2.018 -3.535 -2.694 1.00 62.41 H new ATOM 0 HG13 ILE A 370 3.348 -2.430 -2.975 1.00 62.41 H new ATOM 0 HG21 ILE A 370 3.450 -5.414 -0.688 1.00 44.12 H new ATOM 0 HG22 ILE A 370 3.137 -4.486 0.798 1.00 44.12 H new ATOM 0 HG23 ILE A 370 1.831 -4.738 -0.385 1.00 44.12 H new ATOM 0 HD11 ILE A 370 3.642 -4.490 -4.225 1.00 63.43 H new ATOM 0 HD12 ILE A 370 4.922 -4.309 -3.001 1.00 63.43 H new ATOM 0 HD13 ILE A 370 3.571 -5.432 -2.716 1.00 63.43 H new ATOM 459 N TYR A 371 3.697 -1.691 1.682 1.00 24.34 N ATOM 460 CA TYR A 371 3.787 -1.563 3.144 1.00 34.41 C ATOM 461 C TYR A 371 2.823 -0.510 3.673 1.00 35.11 C ATOM 462 O TYR A 371 2.145 -0.722 4.688 1.00 65.33 O ATOM 463 CB TYR A 371 5.199 -1.214 3.605 1.00 13.35 C ATOM 464 CG TYR A 371 6.249 -2.256 3.332 1.00 72.53 C ATOM 465 CD1 TYR A 371 6.019 -3.593 3.607 1.00 60.31 C ATOM 466 CD2 TYR A 371 7.482 -1.899 2.814 1.00 44.35 C ATOM 467 CE1 TYR A 371 6.983 -4.541 3.369 1.00 31.13 C ATOM 468 CE2 TYR A 371 8.455 -2.841 2.579 1.00 34.22 C ATOM 469 CZ TYR A 371 8.201 -4.161 2.860 1.00 53.42 C ATOM 470 OH TYR A 371 9.173 -5.108 2.636 1.00 0.34 O ATOM 0 H TYR A 371 4.572 -1.518 1.187 1.00 24.34 H new ATOM 0 HA TYR A 371 3.516 -2.539 3.548 1.00 34.41 H new ATOM 0 HB2 TYR A 371 5.500 -0.285 3.121 1.00 13.35 H new ATOM 0 HB3 TYR A 371 5.174 -1.021 4.678 1.00 13.35 H new ATOM 0 HD1 TYR A 371 5.066 -3.895 4.015 1.00 60.31 H new ATOM 0 HD2 TYR A 371 7.683 -0.862 2.590 1.00 44.35 H new ATOM 0 HE1 TYR A 371 6.785 -5.581 3.581 1.00 31.13 H new ATOM 0 HE2 TYR A 371 9.412 -2.545 2.176 1.00 34.22 H new ATOM 0 HH TYR A 371 9.974 -4.675 2.273 1.00 0.34 H new ATOM 480 N ASN A 372 2.763 0.609 2.981 1.00 71.30 N ATOM 481 CA ASN A 372 1.889 1.723 3.360 1.00 2.32 C ATOM 482 C ASN A 372 0.429 1.303 3.366 1.00 40.54 C ATOM 483 O ASN A 372 -0.332 1.709 4.253 1.00 5.44 O ATOM 484 CB ASN A 372 2.078 2.948 2.445 1.00 20.35 C ATOM 485 CG ASN A 372 3.467 3.559 2.517 1.00 23.44 C ATOM 486 OD1 ASN A 372 4.147 3.496 3.548 1.00 54.44 O ATOM 487 ND2 ASN A 372 3.894 4.175 1.436 1.00 34.23 N ATOM 0 H ASN A 372 3.314 0.781 2.140 1.00 71.30 H new ATOM 0 HA ASN A 372 2.177 2.011 4.371 1.00 2.32 H new ATOM 0 HB2 ASN A 372 1.873 2.656 1.415 1.00 20.35 H new ATOM 0 HB3 ASN A 372 1.343 3.707 2.713 1.00 20.35 H new ATOM 0 HD21 ASN A 372 4.812 4.620 1.431 1.00 34.23 H new ATOM 0 HD22 ASN A 372 3.307 4.208 0.602 1.00 34.23 H new ATOM 494 N TRP A 373 0.042 0.485 2.383 1.00 50.41 N ATOM 495 CA TRP A 373 -1.319 -0.025 2.283 1.00 21.03 C ATOM 496 C TRP A 373 -1.675 -0.784 3.541 1.00 11.34 C ATOM 497 O TRP A 373 -2.706 -0.524 4.145 1.00 41.41 O ATOM 498 CB TRP A 373 -1.470 -0.932 1.063 1.00 4.24 C ATOM 499 CG TRP A 373 -2.869 -1.485 0.830 1.00 51.22 C ATOM 500 CD1 TRP A 373 -3.832 -0.957 0.019 1.00 23.12 C ATOM 501 CD2 TRP A 373 -3.444 -2.687 1.400 1.00 0.11 C ATOM 502 NE1 TRP A 373 -4.958 -1.752 0.038 1.00 1.34 N ATOM 503 CE2 TRP A 373 -4.744 -2.821 0.877 1.00 74.42 C ATOM 504 CE3 TRP A 373 -2.975 -3.657 2.294 1.00 31.32 C ATOM 505 CZ2 TRP A 373 -5.584 -3.897 1.219 1.00 1.10 C ATOM 506 CZ3 TRP A 373 -3.805 -4.715 2.634 1.00 65.30 C ATOM 507 CH2 TRP A 373 -5.092 -4.828 2.094 1.00 62.44 C ATOM 0 H TRP A 373 0.663 0.162 1.641 1.00 50.41 H new ATOM 0 HA TRP A 373 -1.998 0.820 2.167 1.00 21.03 H new ATOM 0 HB2 TRP A 373 -1.166 -0.375 0.177 1.00 4.24 H new ATOM 0 HB3 TRP A 373 -0.779 -1.769 1.166 1.00 4.24 H new ATOM 0 HD1 TRP A 373 -3.727 -0.048 -0.555 1.00 23.12 H new ATOM 0 HE1 TRP A 373 -5.814 -1.576 -0.487 1.00 1.34 H new ATOM 0 HE3 TRP A 373 -1.982 -3.583 2.712 1.00 31.32 H new ATOM 0 HZ2 TRP A 373 -6.578 -3.985 0.807 1.00 1.10 H new ATOM 0 HZ3 TRP A 373 -3.453 -5.465 3.327 1.00 65.30 H new ATOM 0 HH2 TRP A 373 -5.710 -5.668 2.374 1.00 62.44 H new ATOM 518 N PHE A 374 -0.814 -1.705 3.942 1.00 43.25 N ATOM 519 CA PHE A 374 -1.041 -2.496 5.148 1.00 21.13 C ATOM 520 C PHE A 374 -1.139 -1.623 6.369 1.00 40.03 C ATOM 521 O PHE A 374 -2.050 -1.770 7.159 1.00 40.14 O ATOM 522 CB PHE A 374 0.047 -3.550 5.360 1.00 11.04 C ATOM 523 CG PHE A 374 0.048 -4.670 4.387 1.00 71.34 C ATOM 524 CD1 PHE A 374 -0.809 -5.737 4.557 1.00 53.34 C ATOM 525 CD2 PHE A 374 0.900 -4.667 3.319 1.00 62.13 C ATOM 526 CE1 PHE A 374 -0.813 -6.781 3.668 1.00 42.14 C ATOM 527 CE2 PHE A 374 0.904 -5.713 2.419 1.00 43.15 C ATOM 528 CZ PHE A 374 0.045 -6.773 2.598 1.00 70.22 C ATOM 0 H PHE A 374 0.052 -1.926 3.451 1.00 43.25 H new ATOM 0 HA PHE A 374 -1.991 -3.009 5.001 1.00 21.13 H new ATOM 0 HB2 PHE A 374 1.019 -3.057 5.322 1.00 11.04 H new ATOM 0 HB3 PHE A 374 -0.062 -3.963 6.363 1.00 11.04 H new ATOM 0 HD1 PHE A 374 -1.484 -5.750 5.400 1.00 53.34 H new ATOM 0 HD2 PHE A 374 1.577 -3.838 3.178 1.00 62.13 H new ATOM 0 HE1 PHE A 374 -1.491 -7.609 3.810 1.00 42.14 H new ATOM 0 HE2 PHE A 374 1.579 -5.700 1.576 1.00 43.15 H new ATOM 0 HZ PHE A 374 0.046 -7.596 1.898 1.00 70.22 H new ATOM 538 N ALA A 375 -0.221 -0.708 6.497 1.00 54.52 N ATOM 539 CA ALA A 375 -0.172 0.178 7.658 1.00 12.51 C ATOM 540 C ALA A 375 -1.446 1.012 7.781 1.00 33.31 C ATOM 541 O ALA A 375 -1.982 1.195 8.868 1.00 23.44 O ATOM 542 CB ALA A 375 1.054 1.071 7.589 1.00 32.45 C ATOM 0 H ALA A 375 0.517 -0.544 5.812 1.00 54.52 H new ATOM 0 HA ALA A 375 -0.101 -0.443 8.551 1.00 12.51 H new ATOM 0 HB1 ALA A 375 1.077 1.725 8.460 1.00 32.45 H new ATOM 0 HB2 ALA A 375 1.953 0.455 7.574 1.00 32.45 H new ATOM 0 HB3 ALA A 375 1.014 1.675 6.683 1.00 32.45 H new ATOM 548 N SER A 376 -1.914 1.510 6.680 1.00 30.12 N ATOM 549 CA SER A 376 -3.106 2.317 6.663 1.00 33.10 C ATOM 550 C SER A 376 -4.410 1.483 6.723 1.00 1.01 C ATOM 551 O SER A 376 -5.368 1.857 7.415 1.00 32.33 O ATOM 552 CB SER A 376 -3.092 3.208 5.439 1.00 23.23 C ATOM 553 OG SER A 376 -1.916 4.022 5.424 1.00 12.14 O ATOM 0 H SER A 376 -1.485 1.372 5.765 1.00 30.12 H new ATOM 0 HA SER A 376 -3.101 2.926 7.567 1.00 33.10 H new ATOM 0 HB2 SER A 376 -3.130 2.597 4.537 1.00 23.23 H new ATOM 0 HB3 SER A 376 -3.979 3.841 5.433 1.00 23.23 H new ATOM 0 HG SER A 376 -1.161 3.500 5.081 1.00 12.14 H new ATOM 559 N ASN A 377 -4.444 0.352 6.026 1.00 53.14 N ATOM 560 CA ASN A 377 -5.680 -0.424 5.938 1.00 71.42 C ATOM 561 C ASN A 377 -5.835 -1.394 7.077 1.00 54.12 C ATOM 562 O ASN A 377 -6.955 -1.772 7.433 1.00 4.04 O ATOM 563 CB ASN A 377 -5.846 -1.110 4.570 1.00 41.24 C ATOM 564 CG ASN A 377 -6.072 -0.113 3.451 1.00 33.23 C ATOM 565 OD1 ASN A 377 -7.204 0.241 3.139 1.00 54.05 O ATOM 566 ND2 ASN A 377 -5.012 0.349 2.854 1.00 2.43 N ATOM 0 H ASN A 377 -3.649 -0.043 5.523 1.00 53.14 H new ATOM 0 HA ASN A 377 -6.494 0.295 6.029 1.00 71.42 H new ATOM 0 HB2 ASN A 377 -4.957 -1.702 4.352 1.00 41.24 H new ATOM 0 HB3 ASN A 377 -6.687 -1.802 4.613 1.00 41.24 H new ATOM 0 HD21 ASN A 377 -5.107 1.029 2.099 1.00 2.43 H new ATOM 0 HD22 ASN A 377 -4.086 0.031 3.141 1.00 2.43 H new ATOM 573 N VAL A 378 -4.741 -1.781 7.659 1.00 71.22 N ATOM 574 CA VAL A 378 -4.761 -2.646 8.798 1.00 23.10 C ATOM 575 C VAL A 378 -4.283 -1.848 10.005 1.00 21.31 C ATOM 576 O VAL A 378 -3.107 -1.480 10.091 1.00 74.53 O ATOM 577 CB VAL A 378 -3.872 -3.895 8.590 1.00 62.24 C ATOM 578 CG1 VAL A 378 -3.955 -4.825 9.794 1.00 13.33 C ATOM 579 CG2 VAL A 378 -4.272 -4.626 7.305 1.00 21.20 C ATOM 0 H VAL A 378 -3.807 -1.505 7.356 1.00 71.22 H new ATOM 0 HA VAL A 378 -5.777 -3.008 8.954 1.00 23.10 H new ATOM 0 HB VAL A 378 -2.837 -3.569 8.490 1.00 62.24 H new ATOM 0 HG11 VAL A 378 -3.322 -5.696 9.625 1.00 13.33 H new ATOM 0 HG12 VAL A 378 -3.616 -4.297 10.685 1.00 13.33 H new ATOM 0 HG13 VAL A 378 -4.987 -5.148 9.934 1.00 13.33 H new ATOM 0 HG21 VAL A 378 -3.638 -5.502 7.172 1.00 21.20 H new ATOM 0 HG22 VAL A 378 -5.314 -4.939 7.374 1.00 21.20 H new ATOM 0 HG23 VAL A 378 -4.150 -3.957 6.453 1.00 21.20 H new ATOM 589 N PRO A 379 -5.183 -1.577 10.957 1.00 51.40 N ATOM 590 CA PRO A 379 -4.893 -0.710 12.111 1.00 4.32 C ATOM 591 C PRO A 379 -3.794 -1.271 13.013 1.00 4.21 C ATOM 592 O PRO A 379 -3.132 -0.523 13.756 1.00 72.51 O ATOM 593 CB PRO A 379 -6.227 -0.619 12.852 1.00 35.41 C ATOM 594 CG PRO A 379 -7.031 -1.785 12.382 1.00 1.42 C ATOM 595 CD PRO A 379 -6.556 -2.116 10.995 1.00 51.54 C ATOM 0 HA PRO A 379 -4.513 0.262 11.796 1.00 4.32 H new ATOM 0 HB2 PRO A 379 -6.079 -0.655 13.931 1.00 35.41 H new ATOM 0 HB3 PRO A 379 -6.734 0.320 12.632 1.00 35.41 H new ATOM 0 HG2 PRO A 379 -6.900 -2.638 13.048 1.00 1.42 H new ATOM 0 HG3 PRO A 379 -8.094 -1.544 12.378 1.00 1.42 H new ATOM 0 HD2 PRO A 379 -6.569 -3.191 10.813 1.00 51.54 H new ATOM 0 HD3 PRO A 379 -7.188 -1.656 10.235 1.00 51.54 H new ATOM 603 N TYR A 380 -3.595 -2.576 12.937 1.00 2.43 N ATOM 604 CA TYR A 380 -2.557 -3.244 13.679 1.00 52.04 C ATOM 605 C TYR A 380 -1.186 -2.747 13.213 1.00 21.30 C ATOM 606 O TYR A 380 -0.284 -2.491 14.028 1.00 4.20 O ATOM 607 CB TYR A 380 -2.699 -4.747 13.465 1.00 71.31 C ATOM 608 CG TYR A 380 -1.703 -5.597 14.195 1.00 54.14 C ATOM 609 CD1 TYR A 380 -1.650 -5.613 15.578 1.00 2.12 C ATOM 610 CD2 TYR A 380 -0.841 -6.414 13.500 1.00 42.34 C ATOM 611 CE1 TYR A 380 -0.757 -6.418 16.244 1.00 42.25 C ATOM 612 CE2 TYR A 380 0.060 -7.222 14.148 1.00 13.54 C ATOM 613 CZ TYR A 380 0.103 -7.224 15.521 1.00 52.41 C ATOM 614 OH TYR A 380 0.988 -8.047 16.179 1.00 10.44 O ATOM 0 H TYR A 380 -4.155 -3.198 12.354 1.00 2.43 H new ATOM 0 HA TYR A 380 -2.648 -3.025 14.743 1.00 52.04 H new ATOM 0 HB2 TYR A 380 -3.701 -5.047 13.771 1.00 71.31 H new ATOM 0 HB3 TYR A 380 -2.616 -4.955 12.398 1.00 71.31 H new ATOM 0 HD1 TYR A 380 -2.321 -4.983 16.143 1.00 2.12 H new ATOM 0 HD2 TYR A 380 -0.874 -6.420 12.421 1.00 42.34 H new ATOM 0 HE1 TYR A 380 -0.727 -6.421 17.324 1.00 42.25 H new ATOM 0 HE2 TYR A 380 0.730 -7.852 13.582 1.00 13.54 H new ATOM 0 HH TYR A 380 1.519 -8.547 15.524 1.00 10.44 H new ATOM 624 N PHE A 381 -1.044 -2.589 11.909 1.00 44.23 N ATOM 625 CA PHE A 381 0.186 -2.110 11.327 1.00 53.24 C ATOM 626 C PHE A 381 0.339 -0.636 11.503 1.00 53.22 C ATOM 627 O PHE A 381 1.447 -0.141 11.602 1.00 5.00 O ATOM 628 CB PHE A 381 0.291 -2.477 9.884 1.00 43.05 C ATOM 629 CG PHE A 381 0.336 -3.924 9.642 1.00 40.43 C ATOM 630 CD1 PHE A 381 1.085 -4.760 10.450 1.00 72.25 C ATOM 631 CD2 PHE A 381 -0.358 -4.453 8.609 1.00 40.45 C ATOM 632 CE1 PHE A 381 1.127 -6.098 10.207 1.00 30.14 C ATOM 633 CE2 PHE A 381 -0.321 -5.781 8.355 1.00 1.11 C ATOM 634 CZ PHE A 381 0.428 -6.612 9.158 1.00 21.12 C ATOM 0 H PHE A 381 -1.778 -2.790 11.230 1.00 44.23 H new ATOM 0 HA PHE A 381 1.000 -2.601 11.860 1.00 53.24 H new ATOM 0 HB2 PHE A 381 -0.560 -2.055 9.349 1.00 43.05 H new ATOM 0 HB3 PHE A 381 1.189 -2.020 9.467 1.00 43.05 H new ATOM 0 HD1 PHE A 381 1.640 -4.348 11.280 1.00 72.25 H new ATOM 0 HD2 PHE A 381 -0.950 -3.806 7.978 1.00 40.45 H new ATOM 0 HE1 PHE A 381 1.711 -6.748 10.842 1.00 30.14 H new ATOM 0 HE2 PHE A 381 -0.878 -6.189 7.524 1.00 1.11 H new ATOM 0 HZ PHE A 381 0.461 -7.672 8.955 1.00 21.12 H new ATOM 644 N GLY A 382 -0.783 0.065 11.550 1.00 11.22 N ATOM 645 CA GLY A 382 -0.769 1.501 11.781 1.00 62.42 C ATOM 646 C GLY A 382 -0.158 1.839 13.127 1.00 43.00 C ATOM 647 O GLY A 382 0.360 2.926 13.338 1.00 61.41 O ATOM 0 H GLY A 382 -1.713 -0.336 11.432 1.00 11.22 H new ATOM 0 HA2 GLY A 382 -0.204 1.993 10.989 1.00 62.42 H new ATOM 0 HA3 GLY A 382 -1.787 1.889 11.734 1.00 62.42 H new ATOM 651 N ASN A 383 -0.215 0.882 14.026 1.00 73.00 N ATOM 652 CA ASN A 383 0.350 0.977 15.328 1.00 21.22 C ATOM 653 C ASN A 383 1.826 0.511 15.322 1.00 33.14 C ATOM 654 O ASN A 383 2.597 0.815 16.223 1.00 70.41 O ATOM 655 CB ASN A 383 -0.543 0.141 16.264 1.00 4.24 C ATOM 656 CG ASN A 383 0.166 -0.449 17.438 1.00 61.22 C ATOM 657 OD1 ASN A 383 0.306 0.169 18.491 1.00 33.35 O ATOM 658 ND2 ASN A 383 0.576 -1.677 17.275 1.00 51.45 N ATOM 0 H ASN A 383 -0.676 -0.011 13.851 1.00 73.00 H new ATOM 0 HA ASN A 383 0.376 2.008 15.681 1.00 21.22 H new ATOM 0 HB2 ASN A 383 -1.356 0.770 16.626 1.00 4.24 H new ATOM 0 HB3 ASN A 383 -0.996 -0.665 15.687 1.00 4.24 H new ATOM 0 HD21 ASN A 383 1.036 -2.167 18.042 1.00 51.45 H new ATOM 0 HD22 ASN A 383 0.436 -2.147 16.381 1.00 51.45 H new ATOM 665 N ARG A 384 2.220 -0.160 14.261 1.00 75.43 N ATOM 666 CA ARG A 384 3.572 -0.691 14.124 1.00 35.24 C ATOM 667 C ARG A 384 4.370 0.028 13.059 1.00 42.13 C ATOM 668 O ARG A 384 5.300 -0.524 12.524 1.00 33.24 O ATOM 669 CB ARG A 384 3.562 -2.191 13.820 1.00 71.22 C ATOM 670 CG ARG A 384 3.185 -3.072 14.986 1.00 5.22 C ATOM 671 CD ARG A 384 3.397 -4.533 14.642 1.00 62.13 C ATOM 672 NE ARG A 384 3.228 -5.401 15.808 1.00 2.43 N ATOM 673 CZ ARG A 384 4.074 -6.391 16.146 1.00 73.34 C ATOM 674 NH1 ARG A 384 5.160 -6.622 15.415 1.00 14.30 N ATOM 675 NH2 ARG A 384 3.839 -7.132 17.225 1.00 21.12 N ATOM 0 H ARG A 384 1.615 -0.357 13.464 1.00 75.43 H new ATOM 0 HA ARG A 384 4.055 -0.523 15.087 1.00 35.24 H new ATOM 0 HB2 ARG A 384 2.865 -2.377 13.003 1.00 71.22 H new ATOM 0 HB3 ARG A 384 4.552 -2.482 13.468 1.00 71.22 H new ATOM 0 HG2 ARG A 384 3.784 -2.807 15.857 1.00 5.22 H new ATOM 0 HG3 ARG A 384 2.142 -2.904 15.254 1.00 5.22 H new ATOM 0 HD2 ARG A 384 2.692 -4.828 13.865 1.00 62.13 H new ATOM 0 HD3 ARG A 384 4.398 -4.667 14.232 1.00 62.13 H new ATOM 0 HE ARG A 384 2.415 -5.245 16.404 1.00 2.43 H new ATOM 0 HH11 ARG A 384 5.354 -6.048 14.595 1.00 14.30 H new ATOM 0 HH12 ARG A 384 5.799 -7.373 15.674 1.00 14.30 H new ATOM 0 HH21 ARG A 384 3.016 -6.950 17.799 1.00 21.12 H new ATOM 0 HH22 ARG A 384 4.482 -7.882 17.479 1.00 21.12 H new ATOM 689 N THR A 385 4.065 1.273 12.818 1.00 12.52 N ATOM 690 CA THR A 385 4.739 2.046 11.778 1.00 30.13 C ATOM 691 C THR A 385 6.169 2.516 12.160 1.00 2.42 C ATOM 692 O THR A 385 6.768 3.341 11.455 1.00 24.43 O ATOM 693 CB THR A 385 3.880 3.244 11.380 1.00 23.11 C ATOM 694 OG1 THR A 385 3.468 3.952 12.564 1.00 62.41 O ATOM 695 CG2 THR A 385 2.666 2.780 10.609 1.00 10.33 C ATOM 0 H THR A 385 3.348 1.790 13.327 1.00 12.52 H new ATOM 0 HA THR A 385 4.864 1.369 10.933 1.00 30.13 H new ATOM 0 HB THR A 385 4.465 3.909 10.745 1.00 23.11 H new ATOM 0 HG1 THR A 385 2.568 3.662 12.822 1.00 62.41 H new ATOM 0 HG21 THR A 385 2.061 3.642 10.330 1.00 10.33 H new ATOM 0 HG22 THR A 385 2.985 2.255 9.709 1.00 10.33 H new ATOM 0 HG23 THR A 385 2.075 2.108 11.231 1.00 10.33 H new ATOM 703 N SER A 386 6.729 1.958 13.219 1.00 72.54 N ATOM 704 CA SER A 386 8.056 2.327 13.647 1.00 65.44 C ATOM 705 C SER A 386 9.016 1.305 13.042 1.00 63.43 C ATOM 706 O SER A 386 8.586 0.207 12.726 1.00 33.41 O ATOM 707 CB SER A 386 8.121 2.340 15.182 1.00 12.44 C ATOM 708 OG SER A 386 9.374 2.803 15.654 1.00 2.02 O ATOM 0 H SER A 386 6.280 1.247 13.796 1.00 72.54 H new ATOM 0 HA SER A 386 8.328 3.328 13.313 1.00 65.44 H new ATOM 0 HB2 SER A 386 7.328 2.977 15.574 1.00 12.44 H new ATOM 0 HB3 SER A 386 7.939 1.335 15.562 1.00 12.44 H new ATOM 0 HG SER A 386 9.376 2.799 16.634 1.00 2.02 H new ATOM 714 N GLN A 387 10.290 1.650 12.880 1.00 14.21 N ATOM 715 CA GLN A 387 11.251 0.779 12.168 1.00 1.14 C ATOM 716 C GLN A 387 11.316 -0.663 12.690 1.00 45.32 C ATOM 717 O GLN A 387 11.091 -1.601 11.927 1.00 21.34 O ATOM 718 CB GLN A 387 12.649 1.391 12.167 1.00 21.53 C ATOM 719 CG GLN A 387 13.698 0.487 11.542 1.00 71.03 C ATOM 720 CD GLN A 387 15.057 1.109 11.517 1.00 12.40 C ATOM 721 OE1 GLN A 387 15.833 0.970 12.457 1.00 4.21 O ATOM 722 NE2 GLN A 387 15.366 1.783 10.450 1.00 13.23 N ATOM 0 H GLN A 387 10.691 2.521 13.227 1.00 14.21 H new ATOM 0 HA GLN A 387 10.868 0.717 11.150 1.00 1.14 H new ATOM 0 HB2 GLN A 387 12.624 2.336 11.625 1.00 21.53 H new ATOM 0 HB3 GLN A 387 12.940 1.619 13.193 1.00 21.53 H new ATOM 0 HG2 GLN A 387 13.742 -0.449 12.098 1.00 71.03 H new ATOM 0 HG3 GLN A 387 13.398 0.239 10.524 1.00 71.03 H new ATOM 0 HE21 GLN A 387 14.691 1.874 9.691 1.00 13.23 H new ATOM 0 HE22 GLN A 387 16.284 2.221 10.371 1.00 13.23 H new ATOM 731 N GLU A 388 11.545 -0.845 13.972 1.00 1.12 N ATOM 732 CA GLU A 388 11.671 -2.192 14.503 1.00 12.33 C ATOM 733 C GLU A 388 10.321 -2.843 14.582 1.00 33.13 C ATOM 734 O GLU A 388 10.188 -4.042 14.338 1.00 44.15 O ATOM 735 CB GLU A 388 12.349 -2.216 15.870 1.00 55.01 C ATOM 736 CG GLU A 388 13.753 -1.651 15.884 1.00 73.33 C ATOM 737 CD GLU A 388 14.383 -1.770 17.241 1.00 72.52 C ATOM 738 OE1 GLU A 388 14.206 -0.866 18.073 1.00 34.25 O ATOM 739 OE2 GLU A 388 15.053 -2.793 17.506 1.00 34.33 O ATOM 0 H GLU A 388 11.647 -0.097 14.657 1.00 1.12 H new ATOM 0 HA GLU A 388 12.307 -2.753 13.818 1.00 12.33 H new ATOM 0 HB2 GLU A 388 11.737 -1.653 16.575 1.00 55.01 H new ATOM 0 HB3 GLU A 388 12.381 -3.245 16.227 1.00 55.01 H new ATOM 0 HG2 GLU A 388 14.365 -2.177 15.151 1.00 73.33 H new ATOM 0 HG3 GLU A 388 13.727 -0.603 15.585 1.00 73.33 H new ATOM 746 N GLN A 389 9.309 -2.028 14.866 1.00 73.14 N ATOM 747 CA GLN A 389 7.957 -2.497 14.994 1.00 34.14 C ATOM 748 C GLN A 389 7.368 -2.946 13.679 1.00 73.45 C ATOM 749 O GLN A 389 6.383 -3.672 13.653 1.00 62.33 O ATOM 750 CB GLN A 389 7.086 -1.448 15.588 1.00 72.55 C ATOM 751 CG GLN A 389 7.540 -0.994 16.959 1.00 63.41 C ATOM 752 CD GLN A 389 6.426 -0.342 17.688 1.00 1.34 C ATOM 753 OE1 GLN A 389 5.500 0.160 16.956 1.00 1.20 O flip ATOM 754 NE2 GLN A 389 6.371 -0.337 18.914 1.00 33.31 N flip ATOM 0 H GLN A 389 9.417 -1.024 15.012 1.00 73.14 H new ATOM 0 HA GLN A 389 7.998 -3.363 15.655 1.00 34.14 H new ATOM 0 HB2 GLN A 389 7.059 -0.588 14.919 1.00 72.55 H new ATOM 0 HB3 GLN A 389 6.067 -1.829 15.659 1.00 72.55 H new ATOM 0 HG2 GLN A 389 7.904 -1.849 17.529 1.00 63.41 H new ATOM 0 HG3 GLN A 389 8.374 -0.299 16.860 1.00 63.41 H new ATOM 0 HE21 GLN A 389 7.129 -0.747 19.460 1.00 33.31 H new ATOM 0 HE22 GLN A 389 5.568 0.077 19.387 1.00 33.31 H new ATOM 763 N SER A 390 7.959 -2.518 12.591 1.00 32.04 N ATOM 764 CA SER A 390 7.432 -2.850 11.305 1.00 15.54 C ATOM 765 C SER A 390 8.296 -3.829 10.538 1.00 1.22 C ATOM 766 O SER A 390 7.779 -4.651 9.783 1.00 75.10 O ATOM 767 CB SER A 390 7.199 -1.597 10.496 1.00 74.33 C ATOM 768 OG SER A 390 8.407 -0.878 10.312 1.00 50.50 O ATOM 0 H SER A 390 8.801 -1.942 12.577 1.00 32.04 H new ATOM 0 HA SER A 390 6.481 -3.354 11.478 1.00 15.54 H new ATOM 0 HB2 SER A 390 6.777 -1.860 9.526 1.00 74.33 H new ATOM 0 HB3 SER A 390 6.469 -0.965 11.001 1.00 74.33 H new ATOM 0 HG SER A 390 8.493 -0.199 11.013 1.00 50.50 H new ATOM 774 N ALA A 391 9.609 -3.756 10.740 1.00 31.33 N ATOM 775 CA ALA A 391 10.564 -4.583 9.999 1.00 62.41 C ATOM 776 C ALA A 391 10.291 -6.077 10.129 1.00 44.22 C ATOM 777 O ALA A 391 10.690 -6.850 9.269 1.00 35.43 O ATOM 778 CB ALA A 391 11.985 -4.261 10.410 1.00 44.23 C ATOM 0 H ALA A 391 10.041 -3.127 11.417 1.00 31.33 H new ATOM 0 HA ALA A 391 10.433 -4.335 8.946 1.00 62.41 H new ATOM 0 HB1 ALA A 391 12.677 -4.887 9.847 1.00 44.23 H new ATOM 0 HB2 ALA A 391 12.195 -3.211 10.203 1.00 44.23 H new ATOM 0 HB3 ALA A 391 12.108 -4.452 11.476 1.00 44.23 H new ATOM 784 N GLY A 392 9.604 -6.471 11.180 1.00 21.04 N ATOM 785 CA GLY A 392 9.288 -7.858 11.370 1.00 11.11 C ATOM 786 C GLY A 392 8.178 -8.322 10.459 1.00 11.53 C ATOM 787 O GLY A 392 8.300 -9.368 9.813 1.00 2.10 O ATOM 0 H GLY A 392 9.258 -5.848 11.910 1.00 21.04 H new ATOM 0 HA2 GLY A 392 10.179 -8.459 11.189 1.00 11.11 H new ATOM 0 HA3 GLY A 392 8.997 -8.023 12.407 1.00 11.11 H new ATOM 791 N TRP A 393 7.090 -7.562 10.390 1.00 3.22 N ATOM 792 CA TRP A 393 6.009 -7.936 9.513 1.00 74.23 C ATOM 793 C TRP A 393 6.376 -7.655 8.063 1.00 41.21 C ATOM 794 O TRP A 393 5.971 -8.391 7.153 1.00 2.52 O ATOM 795 CB TRP A 393 4.640 -7.338 9.919 1.00 25.12 C ATOM 796 CG TRP A 393 4.544 -5.849 9.932 1.00 44.23 C ATOM 797 CD1 TRP A 393 4.792 -5.031 10.975 1.00 43.10 C ATOM 798 CD2 TRP A 393 4.130 -5.012 8.852 1.00 15.11 C ATOM 799 NE1 TRP A 393 4.570 -3.720 10.613 1.00 13.33 N ATOM 800 CE2 TRP A 393 4.166 -3.683 9.306 1.00 4.34 C ATOM 801 CE3 TRP A 393 3.740 -5.267 7.549 1.00 30.04 C ATOM 802 CZ2 TRP A 393 3.825 -2.600 8.488 1.00 71.35 C ATOM 803 CZ3 TRP A 393 3.400 -4.205 6.734 1.00 14.35 C ATOM 804 CH2 TRP A 393 3.444 -2.888 7.196 1.00 74.32 C ATOM 0 H TRP A 393 6.943 -6.704 10.921 1.00 3.22 H new ATOM 0 HA TRP A 393 5.871 -9.012 9.619 1.00 74.23 H new ATOM 0 HB2 TRP A 393 3.883 -7.723 9.236 1.00 25.12 H new ATOM 0 HB3 TRP A 393 4.388 -7.705 10.914 1.00 25.12 H new ATOM 0 HD1 TRP A 393 5.117 -5.356 11.952 1.00 43.10 H new ATOM 0 HE1 TRP A 393 4.688 -2.909 11.220 1.00 13.33 H new ATOM 0 HE3 TRP A 393 3.702 -6.280 7.176 1.00 30.04 H new ATOM 0 HZ2 TRP A 393 3.859 -1.584 8.853 1.00 71.35 H new ATOM 0 HZ3 TRP A 393 3.093 -4.398 5.717 1.00 14.35 H new ATOM 0 HH2 TRP A 393 3.175 -2.082 6.529 1.00 74.32 H new ATOM 815 N LYS A 394 7.169 -6.594 7.848 1.00 71.12 N ATOM 816 CA LYS A 394 7.694 -6.288 6.539 1.00 3.42 C ATOM 817 C LYS A 394 8.631 -7.374 6.065 1.00 3.54 C ATOM 818 O LYS A 394 8.719 -7.639 4.861 1.00 53.51 O ATOM 819 CB LYS A 394 8.399 -4.947 6.541 1.00 12.31 C ATOM 820 CG LYS A 394 7.462 -3.806 6.787 1.00 74.31 C ATOM 821 CD LYS A 394 8.166 -2.474 6.754 1.00 51.24 C ATOM 822 CE LYS A 394 7.163 -1.361 6.879 1.00 22.12 C ATOM 823 NZ LYS A 394 7.787 -0.022 6.789 1.00 2.53 N ATOM 0 H LYS A 394 7.453 -5.940 8.578 1.00 71.12 H new ATOM 0 HA LYS A 394 6.854 -6.235 5.847 1.00 3.42 H new ATOM 0 HB2 LYS A 394 9.173 -4.949 7.308 1.00 12.31 H new ATOM 0 HB3 LYS A 394 8.899 -4.802 5.583 1.00 12.31 H new ATOM 0 HG2 LYS A 394 6.673 -3.817 6.035 1.00 74.31 H new ATOM 0 HG3 LYS A 394 6.980 -3.936 7.756 1.00 74.31 H new ATOM 0 HD2 LYS A 394 8.890 -2.415 7.567 1.00 51.24 H new ATOM 0 HD3 LYS A 394 8.723 -2.370 5.823 1.00 51.24 H new ATOM 0 HE2 LYS A 394 6.413 -1.462 6.094 1.00 22.12 H new ATOM 0 HE3 LYS A 394 6.641 -1.452 7.832 1.00 22.12 H new ATOM 0 HZ1 LYS A 394 7.054 0.710 6.881 1.00 2.53 H new ATOM 0 HZ2 LYS A 394 8.484 0.088 7.553 1.00 2.53 H new ATOM 0 HZ3 LYS A 394 8.263 0.078 5.870 1.00 2.53 H new ATOM 837 N ASN A 395 9.314 -8.017 7.017 1.00 22.52 N ATOM 838 CA ASN A 395 10.239 -9.110 6.700 1.00 33.11 C ATOM 839 C ASN A 395 9.515 -10.221 5.966 1.00 4.44 C ATOM 840 O ASN A 395 9.942 -10.641 4.884 1.00 22.44 O ATOM 841 CB ASN A 395 10.887 -9.673 7.974 1.00 52.53 C ATOM 842 CG ASN A 395 11.820 -10.840 7.699 1.00 71.23 C ATOM 843 OD1 ASN A 395 11.397 -11.996 7.676 1.00 55.11 O ATOM 844 ND2 ASN A 395 13.080 -10.559 7.512 1.00 63.21 N ATOM 0 H ASN A 395 9.244 -7.800 8.011 1.00 22.52 H new ATOM 0 HA ASN A 395 11.023 -8.706 6.059 1.00 33.11 H new ATOM 0 HB2 ASN A 395 11.444 -8.880 8.473 1.00 52.53 H new ATOM 0 HB3 ASN A 395 10.105 -9.995 8.661 1.00 52.53 H new ATOM 0 HD21 ASN A 395 13.750 -11.309 7.340 1.00 63.21 H new ATOM 0 HD22 ASN A 395 13.396 -9.589 7.538 1.00 63.21 H new ATOM 851 N SER A 396 8.406 -10.673 6.539 1.00 4.52 N ATOM 852 CA SER A 396 7.621 -11.735 5.944 1.00 41.45 C ATOM 853 C SER A 396 7.146 -11.325 4.576 1.00 2.54 C ATOM 854 O SER A 396 7.382 -12.048 3.621 1.00 34.53 O ATOM 855 CB SER A 396 6.444 -12.078 6.834 1.00 64.20 C ATOM 856 OG SER A 396 6.880 -12.384 8.158 1.00 53.42 O ATOM 0 H SER A 396 8.033 -10.316 7.419 1.00 4.52 H new ATOM 0 HA SER A 396 8.247 -12.621 5.842 1.00 41.45 H new ATOM 0 HB2 SER A 396 5.747 -11.241 6.861 1.00 64.20 H new ATOM 0 HB3 SER A 396 5.904 -12.929 6.419 1.00 64.20 H new ATOM 0 HG SER A 396 6.104 -12.601 8.716 1.00 53.42 H new ATOM 862 N ILE A 397 6.576 -10.105 4.467 1.00 71.30 N ATOM 863 CA ILE A 397 6.044 -9.617 3.192 1.00 64.32 C ATOM 864 C ILE A 397 7.116 -9.668 2.133 1.00 73.25 C ATOM 865 O ILE A 397 6.912 -10.261 1.088 1.00 24.21 O ATOM 866 CB ILE A 397 5.519 -8.144 3.294 1.00 33.41 C ATOM 867 CG1 ILE A 397 4.262 -8.068 4.146 1.00 24.24 C ATOM 868 CG2 ILE A 397 5.244 -7.548 1.903 1.00 31.33 C ATOM 869 CD1 ILE A 397 3.791 -6.670 4.410 1.00 43.23 C ATOM 0 H ILE A 397 6.477 -9.451 5.243 1.00 71.30 H new ATOM 0 HA ILE A 397 5.208 -10.265 2.929 1.00 64.32 H new ATOM 0 HB ILE A 397 6.303 -7.557 3.772 1.00 33.41 H new ATOM 0 HG12 ILE A 397 3.465 -8.622 3.650 1.00 24.24 H new ATOM 0 HG13 ILE A 397 4.450 -8.564 5.098 1.00 24.24 H new ATOM 0 HG21 ILE A 397 4.881 -6.526 2.010 1.00 31.33 H new ATOM 0 HG22 ILE A 397 6.164 -7.547 1.319 1.00 31.33 H new ATOM 0 HG23 ILE A 397 4.491 -8.148 1.392 1.00 31.33 H new ATOM 0 HD11 ILE A 397 2.891 -6.699 5.024 1.00 43.23 H new ATOM 0 HD12 ILE A 397 4.570 -6.117 4.935 1.00 43.23 H new ATOM 0 HD13 ILE A 397 3.569 -6.176 3.464 1.00 43.23 H new ATOM 881 N ARG A 398 8.278 -9.099 2.443 1.00 44.51 N ATOM 882 CA ARG A 398 9.363 -9.000 1.524 1.00 41.35 C ATOM 883 C ARG A 398 9.755 -10.404 1.001 1.00 35.43 C ATOM 884 O ARG A 398 9.993 -10.588 -0.194 1.00 50.25 O ATOM 885 CB ARG A 398 10.524 -8.354 2.253 1.00 54.24 C ATOM 886 CG ARG A 398 11.439 -7.510 1.399 1.00 12.54 C ATOM 887 CD ARG A 398 12.072 -8.269 0.251 1.00 74.23 C ATOM 888 NE ARG A 398 12.987 -7.433 -0.522 1.00 31.30 N ATOM 889 CZ ARG A 398 13.330 -7.637 -1.798 1.00 63.25 C ATOM 890 NH1 ARG A 398 12.843 -8.688 -2.473 1.00 73.24 N ATOM 891 NH2 ARG A 398 14.174 -6.796 -2.394 1.00 72.14 N ATOM 0 H ARG A 398 8.476 -8.694 3.358 1.00 44.51 H new ATOM 0 HA ARG A 398 9.080 -8.398 0.661 1.00 41.35 H new ATOM 0 HB2 ARG A 398 10.126 -7.731 3.054 1.00 54.24 H new ATOM 0 HB3 ARG A 398 11.116 -9.138 2.724 1.00 54.24 H new ATOM 0 HG2 ARG A 398 10.874 -6.668 0.999 1.00 12.54 H new ATOM 0 HG3 ARG A 398 12.227 -7.095 2.027 1.00 12.54 H new ATOM 0 HD2 ARG A 398 12.612 -9.132 0.641 1.00 74.23 H new ATOM 0 HD3 ARG A 398 11.290 -8.652 -0.405 1.00 74.23 H new ATOM 0 HE ARG A 398 13.398 -6.628 -0.050 1.00 31.30 H new ATOM 0 HH11 ARG A 398 12.206 -9.339 -2.013 1.00 73.24 H new ATOM 0 HH12 ARG A 398 13.109 -8.837 -3.446 1.00 73.24 H new ATOM 0 HH21 ARG A 398 14.554 -6.003 -1.877 1.00 72.14 H new ATOM 0 HH22 ARG A 398 14.440 -6.945 -3.367 1.00 72.14 H new ATOM 905 N HIS A 399 9.791 -11.383 1.896 1.00 70.12 N ATOM 906 CA HIS A 399 10.139 -12.745 1.502 1.00 22.14 C ATOM 907 C HIS A 399 9.012 -13.424 0.743 1.00 34.23 C ATOM 908 O HIS A 399 9.267 -14.152 -0.198 1.00 33.34 O ATOM 909 CB HIS A 399 10.621 -13.605 2.681 1.00 35.44 C ATOM 910 CG HIS A 399 11.963 -13.199 3.219 1.00 54.41 C ATOM 911 ND1 HIS A 399 12.323 -12.198 4.052 1.00 13.24 N flip ATOM 912 CD2 HIS A 399 13.125 -13.856 2.909 1.00 12.00 C flip ATOM 913 CE1 HIS A 399 13.671 -12.273 4.219 1.00 20.34 C flip ATOM 914 NE2 HIS A 399 14.127 -13.284 3.520 1.00 42.01 N flip ATOM 0 H HIS A 399 9.586 -11.264 2.888 1.00 70.12 H new ATOM 0 HA HIS A 399 10.985 -12.652 0.821 1.00 22.14 H new ATOM 0 HB2 HIS A 399 9.886 -13.549 3.484 1.00 35.44 H new ATOM 0 HB3 HIS A 399 10.667 -14.647 2.364 1.00 35.44 H new ATOM 0 HD1 HIS A 399 11.699 -11.512 4.477 1.00 13.24 H new ATOM 0 HD2 HIS A 399 13.200 -14.715 2.259 1.00 12.00 H new ATOM 0 HE1 HIS A 399 14.267 -11.609 4.827 1.00 20.34 H new ATOM 923 N ASN A 400 7.774 -13.159 1.151 1.00 24.41 N ATOM 924 CA ASN A 400 6.560 -13.704 0.487 1.00 51.31 C ATOM 925 C ASN A 400 6.536 -13.282 -0.972 1.00 55.34 C ATOM 926 O ASN A 400 6.172 -14.068 -1.856 1.00 75.21 O ATOM 927 CB ASN A 400 5.288 -13.156 1.167 1.00 52.51 C ATOM 928 CG ASN A 400 5.107 -13.564 2.624 1.00 41.22 C ATOM 929 OD1 ASN A 400 4.647 -12.797 3.413 1.00 0.32 O ATOM 930 ND2 ASN A 400 5.408 -14.770 2.961 1.00 73.54 N ATOM 0 H ASN A 400 7.568 -12.561 1.951 1.00 24.41 H new ATOM 0 HA ASN A 400 6.586 -14.791 0.567 1.00 51.31 H new ATOM 0 HB2 ASN A 400 5.304 -12.068 1.110 1.00 52.51 H new ATOM 0 HB3 ASN A 400 4.419 -13.492 0.601 1.00 52.51 H new ATOM 0 HD21 ASN A 400 5.254 -15.085 3.919 1.00 73.54 H new ATOM 0 HD22 ASN A 400 5.800 -15.410 2.270 1.00 73.54 H new ATOM 937 N LEU A 401 6.936 -12.039 -1.208 1.00 3.34 N ATOM 938 CA LEU A 401 6.967 -11.447 -2.542 1.00 13.20 C ATOM 939 C LEU A 401 7.917 -12.222 -3.443 1.00 13.54 C ATOM 940 O LEU A 401 7.579 -12.596 -4.559 1.00 0.25 O ATOM 941 CB LEU A 401 7.530 -10.034 -2.446 1.00 73.54 C ATOM 942 CG LEU A 401 6.871 -9.061 -1.481 1.00 23.13 C ATOM 943 CD1 LEU A 401 7.667 -7.813 -1.445 1.00 33.32 C ATOM 944 CD2 LEU A 401 5.448 -8.732 -1.864 1.00 44.22 C ATOM 0 H LEU A 401 7.251 -11.406 -0.473 1.00 3.34 H new ATOM 0 HA LEU A 401 5.953 -11.460 -2.943 1.00 13.20 H new ATOM 0 HB2 LEU A 401 8.582 -10.113 -2.172 1.00 73.54 H new ATOM 0 HB3 LEU A 401 7.492 -9.592 -3.442 1.00 73.54 H new ATOM 0 HG LEU A 401 6.839 -9.538 -0.502 1.00 23.13 H new ATOM 0 HD11 LEU A 401 7.205 -7.106 -0.756 1.00 33.32 H new ATOM 0 HD12 LEU A 401 8.680 -8.037 -1.110 1.00 33.32 H new ATOM 0 HD13 LEU A 401 7.704 -7.376 -2.443 1.00 33.32 H new ATOM 0 HD21 LEU A 401 5.028 -8.034 -1.140 1.00 44.22 H new ATOM 0 HD22 LEU A 401 5.433 -8.279 -2.855 1.00 44.22 H new ATOM 0 HD23 LEU A 401 4.853 -9.645 -1.874 1.00 44.22 H new ATOM 1257 N TRP A 421 6.660 -3.056 -7.999 1.00 10.00 N ATOM 1258 CA TRP A 421 6.248 -4.341 -7.668 1.00 62.30 C ATOM 1259 C TRP A 421 4.944 -4.553 -8.407 1.00 54.43 C ATOM 1260 O TRP A 421 3.981 -3.809 -8.205 1.00 31.03 O ATOM 1261 CB TRP A 421 6.054 -4.460 -6.144 1.00 5.02 C ATOM 1262 CG TRP A 421 6.252 -5.819 -5.657 1.00 52.22 C ATOM 1263 CD1 TRP A 421 7.382 -6.266 -5.084 1.00 60.24 C ATOM 1264 CD2 TRP A 421 5.333 -6.919 -5.691 1.00 2.25 C ATOM 1265 NE1 TRP A 421 7.256 -7.575 -4.764 1.00 25.04 N ATOM 1266 CE2 TRP A 421 5.990 -8.006 -5.125 1.00 12.13 C ATOM 1267 CE3 TRP A 421 4.024 -7.086 -6.144 1.00 42.31 C ATOM 1268 CZ2 TRP A 421 5.381 -9.258 -4.997 1.00 70.33 C ATOM 1269 CZ3 TRP A 421 3.421 -8.320 -6.008 1.00 71.24 C ATOM 1270 CH2 TRP A 421 4.105 -9.392 -5.437 1.00 72.53 C ATOM 0 HA TRP A 421 6.984 -5.095 -7.948 1.00 62.30 H new ATOM 0 HB2 TRP A 421 6.752 -3.792 -5.640 1.00 5.02 H new ATOM 0 HB3 TRP A 421 5.049 -4.127 -5.883 1.00 5.02 H new ATOM 0 HD1 TRP A 421 8.263 -5.668 -4.905 1.00 60.24 H new ATOM 0 HE1 TRP A 421 7.976 -8.151 -4.328 1.00 25.04 H new ATOM 0 HE3 TRP A 421 3.491 -6.262 -6.594 1.00 42.31 H new ATOM 0 HZ2 TRP A 421 5.910 -10.093 -4.561 1.00 70.33 H new ATOM 0 HZ3 TRP A 421 2.405 -8.457 -6.349 1.00 71.24 H new ATOM 0 HH2 TRP A 421 3.610 -10.347 -5.343 1.00 72.53 H new ATOM 1281 N VAL A 422 4.927 -5.521 -9.292 1.00 25.14 N ATOM 1282 CA VAL A 422 3.763 -5.792 -10.109 1.00 4.23 C ATOM 1283 C VAL A 422 3.556 -7.280 -10.263 1.00 20.32 C ATOM 1284 O VAL A 422 4.508 -8.074 -10.159 1.00 74.12 O ATOM 1285 CB VAL A 422 3.840 -5.124 -11.532 1.00 3.31 C ATOM 1286 CG1 VAL A 422 3.828 -3.606 -11.443 1.00 43.44 C ATOM 1287 CG2 VAL A 422 5.074 -5.590 -12.293 1.00 55.35 C ATOM 0 H VAL A 422 5.716 -6.143 -9.468 1.00 25.14 H new ATOM 0 HA VAL A 422 2.915 -5.350 -9.586 1.00 4.23 H new ATOM 0 HB VAL A 422 2.951 -5.440 -12.078 1.00 3.31 H new ATOM 0 HG11 VAL A 422 3.883 -3.182 -12.446 1.00 43.44 H new ATOM 0 HG12 VAL A 422 2.908 -3.277 -10.960 1.00 43.44 H new ATOM 0 HG13 VAL A 422 4.685 -3.269 -10.860 1.00 43.44 H new ATOM 0 HG21 VAL A 422 5.100 -5.112 -13.272 1.00 55.35 H new ATOM 0 HG22 VAL A 422 5.970 -5.320 -11.734 1.00 55.35 H new ATOM 0 HG23 VAL A 422 5.037 -6.672 -12.419 1.00 55.35 H new ATOM 1297 N ILE A 423 2.335 -7.660 -10.508 1.00 13.53 N ATOM 1298 CA ILE A 423 2.003 -9.043 -10.657 1.00 23.44 C ATOM 1299 C ILE A 423 2.113 -9.464 -12.114 1.00 33.25 C ATOM 1300 O ILE A 423 1.651 -8.765 -13.014 1.00 1.40 O ATOM 1301 CB ILE A 423 0.603 -9.365 -10.064 1.00 34.01 C ATOM 1302 CG1 ILE A 423 0.604 -9.031 -8.558 1.00 12.43 C ATOM 1303 CG2 ILE A 423 0.217 -10.827 -10.304 1.00 44.32 C ATOM 1304 CD1 ILE A 423 -0.676 -9.373 -7.832 1.00 22.33 C ATOM 0 H ILE A 423 1.546 -7.021 -10.609 1.00 13.53 H new ATOM 0 HA ILE A 423 2.724 -9.627 -10.086 1.00 23.44 H new ATOM 0 HB ILE A 423 -0.145 -8.753 -10.568 1.00 34.01 H new ATOM 0 HG12 ILE A 423 1.428 -9.563 -8.083 1.00 12.43 H new ATOM 0 HG13 ILE A 423 0.800 -7.966 -8.437 1.00 12.43 H new ATOM 0 HG21 ILE A 423 -0.767 -11.018 -9.877 1.00 44.32 H new ATOM 0 HG22 ILE A 423 0.192 -11.026 -11.375 1.00 44.32 H new ATOM 0 HG23 ILE A 423 0.951 -11.479 -9.831 1.00 44.32 H new ATOM 0 HD11 ILE A 423 -0.581 -9.103 -6.780 1.00 22.33 H new ATOM 0 HD12 ILE A 423 -1.504 -8.821 -8.275 1.00 22.33 H new ATOM 0 HD13 ILE A 423 -0.867 -10.443 -7.916 1.00 22.33 H new