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 395 ASN : amide:sc= 0 K(o=-1.4,f=-0.18) USER MOD Set 1.2: A 399 HIS : no HD1:sc= -1.38 K(o=-1.4,f=0.41) USER MOD Set 2.1: A 390 SER OG : rot -78:sc= -0.187! USER MOD Set 2.2: A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 342 ASN : amide:sc=-0.00194 X(o=-0.0019,f=-0.0019) USER MOD Single : A 348 SER OG : rot 180:sc= 0 USER MOD Single : A 349 TYR OH : rot 180:sc= 0 USER MOD Single : A 350 SER OG : rot 180:sc= 0 USER MOD Single : A 355 LYS NZ :NH3+ -176:sc= 0.956 (180deg=0.79) USER MOD Single : A 358 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 359 SER OG : rot 180:sc= 0 USER MOD Single : A 360 THR OG1 : rot -51:sc= 0.234 USER MOD Single : A 365 MET CE :methyl -145:sc= -0.412 (180deg=-0.705) USER MOD Single : A 368 ASN : amide:sc=-0.00055 K(o=-0.00055,f=-1.4) USER MOD Single : A 371 TYR OH : rot 180:sc=-0.000597 USER MOD Single : A 372 ASN : amide:sc= 1.13 K(o=1.1,f=-0.85) USER MOD Single : A 376 SER OG : rot 82:sc= 0.395 USER MOD Single : A 377 ASN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 380 TYR OH : rot 180:sc= 0 USER MOD Single : A 383 ASN : amide:sc= -5.41! K(o=-5.4!,f=-1) USER MOD Single : A 385 THR OG1 : rot -103:sc= 0.624 USER MOD Single : A 386 SER OG : rot 180:sc= 0 USER MOD Single : A 387 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 389 GLN : amide:sc= -1.38! K(o=-1.4!,f=-0.07) USER MOD Single : A 396 SER OG : rot 180:sc= 0 USER MOD Single : A 400 ASN : amide:sc= 0.613 K(o=0.61,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 342 -1.896 -15.277 10.634 1.00 41.42 N ATOM 2 CA ASN A 342 -1.473 -14.007 10.025 1.00 13.04 C ATOM 3 C ASN A 342 -1.650 -12.888 11.018 1.00 63.31 C ATOM 4 O ASN A 342 -2.614 -12.890 11.774 1.00 62.21 O ATOM 5 CB ASN A 342 -2.263 -13.688 8.754 1.00 30.44 C ATOM 6 CG ASN A 342 -2.110 -14.727 7.675 1.00 1.33 C ATOM 7 OD1 ASN A 342 -1.178 -14.667 6.885 1.00 21.25 O ATOM 8 ND2 ASN A 342 -3.035 -15.656 7.608 1.00 33.44 N ATOM 0 HA ASN A 342 -0.423 -14.107 9.749 1.00 13.04 H new ATOM 0 HB2 ASN A 342 -3.319 -13.591 9.007 1.00 30.44 H new ATOM 0 HB3 ASN A 342 -1.938 -12.723 8.366 1.00 30.44 H new ATOM 0 HD21 ASN A 342 -2.993 -16.365 6.876 1.00 33.44 H new ATOM 0 HD22 ASN A 342 -3.795 -15.669 8.288 1.00 33.44 H new ATOM 17 N PRO A 343 -0.726 -11.898 11.033 1.00 43.42 N ATOM 18 CA PRO A 343 -0.753 -10.790 12.020 1.00 71.01 C ATOM 19 C PRO A 343 -1.993 -9.895 11.894 1.00 63.02 C ATOM 20 O PRO A 343 -2.516 -9.397 12.883 1.00 40.23 O ATOM 21 CB PRO A 343 0.518 -9.987 11.686 1.00 33.20 C ATOM 22 CG PRO A 343 0.833 -10.340 10.266 1.00 24.31 C ATOM 23 CD PRO A 343 0.429 -11.777 10.108 1.00 13.12 C ATOM 0 HA PRO A 343 -0.790 -11.169 13.041 1.00 71.01 H new ATOM 0 HB2 PRO A 343 0.350 -8.916 11.799 1.00 33.20 H new ATOM 0 HB3 PRO A 343 1.340 -10.253 12.351 1.00 33.20 H new ATOM 0 HG2 PRO A 343 0.286 -9.701 9.573 1.00 24.31 H new ATOM 0 HG3 PRO A 343 1.894 -10.206 10.055 1.00 24.31 H new ATOM 0 HD2 PRO A 343 0.150 -12.008 9.080 1.00 13.12 H new ATOM 0 HD3 PRO A 343 1.237 -12.456 10.379 1.00 13.12 H new ATOM 31 N TRP A 344 -2.441 -9.710 10.680 1.00 32.24 N ATOM 32 CA TRP A 344 -3.576 -8.855 10.382 1.00 71.33 C ATOM 33 C TRP A 344 -4.922 -9.552 10.613 1.00 52.15 C ATOM 34 O TRP A 344 -5.882 -8.930 11.086 1.00 15.24 O ATOM 35 CB TRP A 344 -3.460 -8.359 8.933 1.00 50.35 C ATOM 36 CG TRP A 344 -3.174 -9.457 7.929 1.00 63.31 C ATOM 37 CD1 TRP A 344 -4.024 -10.437 7.507 1.00 64.43 C ATOM 38 CD2 TRP A 344 -1.959 -9.660 7.194 1.00 52.42 C ATOM 39 NE1 TRP A 344 -3.402 -11.242 6.615 1.00 13.54 N ATOM 40 CE2 TRP A 344 -2.152 -10.785 6.393 1.00 24.32 C ATOM 41 CE3 TRP A 344 -0.735 -9.012 7.136 1.00 2.32 C ATOM 42 CZ2 TRP A 344 -1.179 -11.267 5.558 1.00 44.11 C ATOM 43 CZ3 TRP A 344 0.228 -9.500 6.296 1.00 41.41 C ATOM 44 CH2 TRP A 344 -0.006 -10.614 5.520 1.00 42.54 C ATOM 0 H TRP A 344 -2.029 -10.150 9.857 1.00 32.24 H new ATOM 0 HA TRP A 344 -3.552 -8.010 11.071 1.00 71.33 H new ATOM 0 HB2 TRP A 344 -4.388 -7.859 8.655 1.00 50.35 H new ATOM 0 HB3 TRP A 344 -2.667 -7.613 8.877 1.00 50.35 H new ATOM 0 HD1 TRP A 344 -5.046 -10.553 7.837 1.00 64.43 H new ATOM 0 HE1 TRP A 344 -3.814 -12.066 6.178 1.00 13.54 H new ATOM 0 HE3 TRP A 344 -0.545 -8.139 7.742 1.00 2.32 H new ATOM 0 HZ2 TRP A 344 -1.349 -12.143 4.950 1.00 44.11 H new ATOM 0 HZ3 TRP A 344 1.186 -9.005 6.240 1.00 41.41 H new ATOM 0 HH2 TRP A 344 0.774 -10.971 4.864 1.00 42.54 H new ATOM 55 N GLY A 345 -4.978 -10.836 10.307 1.00 11.22 N ATOM 56 CA GLY A 345 -6.213 -11.557 10.386 1.00 11.50 C ATOM 57 C GLY A 345 -6.136 -12.914 9.712 1.00 12.44 C ATOM 58 O GLY A 345 -5.279 -13.732 10.058 1.00 22.41 O ATOM 0 H GLY A 345 -4.178 -11.391 10.003 1.00 11.22 H new ATOM 0 HA2 GLY A 345 -6.487 -11.690 11.433 1.00 11.50 H new ATOM 0 HA3 GLY A 345 -7.004 -10.968 9.922 1.00 11.50 H new ATOM 62 N ALA A 346 -6.979 -13.142 8.714 1.00 45.13 N ATOM 63 CA ALA A 346 -7.095 -14.468 8.120 1.00 64.03 C ATOM 64 C ALA A 346 -6.538 -14.594 6.700 1.00 54.03 C ATOM 65 O ALA A 346 -6.073 -15.676 6.327 1.00 4.31 O ATOM 66 CB ALA A 346 -8.534 -14.946 8.162 1.00 72.44 C ATOM 0 H ALA A 346 -7.587 -12.434 8.302 1.00 45.13 H new ATOM 0 HA ALA A 346 -6.464 -15.108 8.736 1.00 64.03 H new ATOM 0 HB1 ALA A 346 -8.601 -15.938 7.714 1.00 72.44 H new ATOM 0 HB2 ALA A 346 -8.872 -14.992 9.197 1.00 72.44 H new ATOM 0 HB3 ALA A 346 -9.164 -14.253 7.605 1.00 72.44 H new ATOM 72 N GLU A 347 -6.591 -13.529 5.895 1.00 52.31 N ATOM 73 CA GLU A 347 -6.092 -13.628 4.512 1.00 42.51 C ATOM 74 C GLU A 347 -4.591 -13.819 4.471 1.00 50.34 C ATOM 75 O GLU A 347 -3.909 -13.571 5.449 1.00 24.43 O ATOM 76 CB GLU A 347 -6.525 -12.457 3.619 1.00 45.23 C ATOM 77 CG GLU A 347 -8.028 -12.346 3.438 1.00 33.20 C ATOM 78 CD GLU A 347 -8.421 -11.385 2.337 1.00 60.13 C ATOM 79 OE1 GLU A 347 -8.461 -10.166 2.569 1.00 5.30 O ATOM 80 OE2 GLU A 347 -8.717 -11.852 1.209 1.00 70.31 O ATOM 0 H GLU A 347 -6.960 -12.616 6.160 1.00 52.31 H new ATOM 0 HA GLU A 347 -6.561 -14.519 4.095 1.00 42.51 H new ATOM 0 HB2 GLU A 347 -6.151 -11.528 4.048 1.00 45.23 H new ATOM 0 HB3 GLU A 347 -6.058 -12.567 2.640 1.00 45.23 H new ATOM 0 HG2 GLU A 347 -8.435 -13.332 3.215 1.00 33.20 H new ATOM 0 HG3 GLU A 347 -8.478 -12.020 4.375 1.00 33.20 H new ATOM 87 N SER A 348 -4.089 -14.246 3.349 1.00 71.33 N ATOM 88 CA SER A 348 -2.689 -14.518 3.217 1.00 63.22 C ATOM 89 C SER A 348 -1.954 -13.260 2.839 1.00 71.24 C ATOM 90 O SER A 348 -2.583 -12.257 2.456 1.00 72.42 O ATOM 91 CB SER A 348 -2.470 -15.575 2.147 1.00 0.03 C ATOM 92 OG SER A 348 -3.146 -16.789 2.457 1.00 45.23 O ATOM 0 H SER A 348 -4.636 -14.414 2.505 1.00 71.33 H new ATOM 0 HA SER A 348 -2.308 -14.883 4.171 1.00 63.22 H new ATOM 0 HB2 SER A 348 -2.822 -15.198 1.187 1.00 0.03 H new ATOM 0 HB3 SER A 348 -1.403 -15.770 2.042 1.00 0.03 H new ATOM 0 HG SER A 348 -2.984 -17.444 1.747 1.00 45.23 H new ATOM 98 N TYR A 349 -0.634 -13.303 2.951 1.00 74.12 N ATOM 99 CA TYR A 349 0.205 -12.195 2.545 1.00 30.10 C ATOM 100 C TYR A 349 -0.077 -11.884 1.126 1.00 14.23 C ATOM 101 O TYR A 349 -0.506 -10.810 0.823 1.00 70.15 O ATOM 102 CB TYR A 349 1.698 -12.524 2.711 1.00 45.33 C ATOM 103 CG TYR A 349 2.126 -12.767 4.125 1.00 74.44 C ATOM 104 CD1 TYR A 349 1.829 -13.956 4.768 1.00 71.55 C ATOM 105 CD2 TYR A 349 2.815 -11.799 4.822 1.00 20.34 C ATOM 106 CE1 TYR A 349 2.204 -14.176 6.069 1.00 22.40 C ATOM 107 CE2 TYR A 349 3.195 -12.007 6.129 1.00 33.03 C ATOM 108 CZ TYR A 349 2.884 -13.203 6.748 1.00 61.21 C ATOM 109 OH TYR A 349 3.259 -13.422 8.055 1.00 72.23 O ATOM 0 H TYR A 349 -0.122 -14.103 3.323 1.00 74.12 H new ATOM 0 HA TYR A 349 -0.019 -11.338 3.181 1.00 30.10 H new ATOM 0 HB2 TYR A 349 1.931 -13.408 2.117 1.00 45.33 H new ATOM 0 HB3 TYR A 349 2.286 -11.702 2.303 1.00 45.33 H new ATOM 0 HD1 TYR A 349 1.291 -14.726 4.235 1.00 71.55 H new ATOM 0 HD2 TYR A 349 3.060 -10.865 4.337 1.00 20.34 H new ATOM 0 HE1 TYR A 349 1.964 -15.111 6.554 1.00 22.40 H new ATOM 0 HE2 TYR A 349 3.733 -11.240 6.667 1.00 33.03 H new ATOM 0 HH TYR A 349 3.735 -12.635 8.395 1.00 72.23 H new ATOM 119 N SER A 350 0.112 -12.861 0.272 1.00 0.25 N ATOM 120 CA SER A 350 -0.133 -12.703 -1.156 1.00 33.24 C ATOM 121 C SER A 350 -1.542 -12.145 -1.459 1.00 5.42 C ATOM 122 O SER A 350 -1.696 -11.340 -2.361 1.00 64.22 O ATOM 123 CB SER A 350 0.080 -14.028 -1.850 1.00 43.31 C ATOM 124 OG SER A 350 -0.703 -15.047 -1.233 1.00 1.31 O ATOM 0 H SER A 350 0.439 -13.790 0.539 1.00 0.25 H new ATOM 0 HA SER A 350 0.576 -11.968 -1.538 1.00 33.24 H new ATOM 0 HB2 SER A 350 -0.190 -13.941 -2.903 1.00 43.31 H new ATOM 0 HB3 SER A 350 1.135 -14.299 -1.813 1.00 43.31 H new ATOM 0 HG SER A 350 -0.555 -15.898 -1.695 1.00 1.31 H new ATOM 130 N ASP A 351 -2.543 -12.557 -0.678 1.00 35.21 N ATOM 131 CA ASP A 351 -3.915 -12.041 -0.827 1.00 62.13 C ATOM 132 C ASP A 351 -3.975 -10.553 -0.546 1.00 44.53 C ATOM 133 O ASP A 351 -4.509 -9.781 -1.339 1.00 64.54 O ATOM 134 CB ASP A 351 -4.924 -12.787 0.070 1.00 24.21 C ATOM 135 CG ASP A 351 -5.287 -14.161 -0.433 1.00 15.43 C ATOM 136 OD1 ASP A 351 -4.589 -15.141 -0.109 1.00 42.11 O ATOM 137 OD2 ASP A 351 -6.299 -14.288 -1.138 1.00 24.24 O ATOM 0 H ASP A 351 -2.434 -13.247 0.066 1.00 35.21 H new ATOM 0 HA ASP A 351 -4.199 -12.218 -1.864 1.00 62.13 H new ATOM 0 HB2 ASP A 351 -4.507 -12.876 1.073 1.00 24.21 H new ATOM 0 HB3 ASP A 351 -5.832 -12.190 0.154 1.00 24.21 H new ATOM 142 N LEU A 352 -3.429 -10.148 0.576 1.00 22.21 N ATOM 143 CA LEU A 352 -3.413 -8.753 0.923 1.00 50.52 C ATOM 144 C LEU A 352 -2.412 -7.941 0.109 1.00 60.22 C ATOM 145 O LEU A 352 -2.652 -6.769 -0.162 1.00 61.44 O ATOM 146 CB LEU A 352 -3.211 -8.532 2.391 1.00 43.23 C ATOM 147 CG LEU A 352 -4.313 -8.996 3.334 1.00 20.11 C ATOM 148 CD1 LEU A 352 -4.003 -8.507 4.702 1.00 11.11 C ATOM 149 CD2 LEU A 352 -5.670 -8.497 2.889 1.00 2.05 C ATOM 0 H LEU A 352 -2.992 -10.765 1.260 1.00 22.21 H new ATOM 0 HA LEU A 352 -4.405 -8.384 0.663 1.00 50.52 H new ATOM 0 HB2 LEU A 352 -2.288 -9.033 2.682 1.00 43.23 H new ATOM 0 HB3 LEU A 352 -3.059 -7.465 2.552 1.00 43.23 H new ATOM 0 HG LEU A 352 -4.353 -10.085 3.326 1.00 20.11 H new ATOM 0 HD11 LEU A 352 -4.784 -8.831 5.390 1.00 11.11 H new ATOM 0 HD12 LEU A 352 -3.044 -8.912 5.025 1.00 11.11 H new ATOM 0 HD13 LEU A 352 -3.954 -7.418 4.697 1.00 11.11 H new ATOM 0 HD21 LEU A 352 -6.432 -8.847 3.585 1.00 2.05 H new ATOM 0 HD22 LEU A 352 -5.669 -7.407 2.870 1.00 2.05 H new ATOM 0 HD23 LEU A 352 -5.888 -8.877 1.891 1.00 2.05 H new ATOM 161 N ILE A 353 -1.288 -8.545 -0.264 1.00 71.12 N ATOM 162 CA ILE A 353 -0.316 -7.865 -1.113 1.00 63.42 C ATOM 163 C ILE A 353 -0.984 -7.583 -2.443 1.00 71.51 C ATOM 164 O ILE A 353 -0.824 -6.509 -3.018 1.00 54.31 O ATOM 165 CB ILE A 353 0.984 -8.703 -1.329 1.00 1.24 C ATOM 166 CG1 ILE A 353 1.656 -9.001 0.030 1.00 74.30 C ATOM 167 CG2 ILE A 353 1.951 -7.956 -2.247 1.00 42.33 C ATOM 168 CD1 ILE A 353 2.820 -9.951 -0.049 1.00 60.42 C ATOM 0 H ILE A 353 -1.029 -9.494 0.005 1.00 71.12 H new ATOM 0 HA ILE A 353 -0.005 -6.943 -0.622 1.00 63.42 H new ATOM 0 HB ILE A 353 0.717 -9.648 -1.803 1.00 1.24 H new ATOM 0 HG12 ILE A 353 1.997 -8.062 0.467 1.00 74.30 H new ATOM 0 HG13 ILE A 353 0.910 -9.415 0.708 1.00 74.30 H new ATOM 0 HG21 ILE A 353 2.852 -8.552 -2.388 1.00 42.33 H new ATOM 0 HG22 ILE A 353 1.476 -7.783 -3.212 1.00 42.33 H new ATOM 0 HG23 ILE A 353 2.216 -7.000 -1.796 1.00 42.33 H new ATOM 0 HD11 ILE A 353 3.232 -10.105 0.948 1.00 60.42 H new ATOM 0 HD12 ILE A 353 2.484 -10.906 -0.454 1.00 60.42 H new ATOM 0 HD13 ILE A 353 3.588 -9.532 -0.699 1.00 60.42 H new ATOM 180 N ALA A 354 -1.773 -8.551 -2.909 1.00 22.34 N ATOM 181 CA ALA A 354 -2.567 -8.365 -4.099 1.00 62.41 C ATOM 182 C ALA A 354 -3.526 -7.203 -3.913 1.00 25.50 C ATOM 183 O ALA A 354 -3.694 -6.425 -4.807 1.00 13.23 O ATOM 184 CB ALA A 354 -3.317 -9.628 -4.496 1.00 22.30 C ATOM 0 H ALA A 354 -1.872 -9.468 -2.473 1.00 22.34 H new ATOM 0 HA ALA A 354 -1.883 -8.135 -4.916 1.00 62.41 H new ATOM 0 HB1 ALA A 354 -3.900 -9.437 -5.397 1.00 22.30 H new ATOM 0 HB2 ALA A 354 -2.604 -10.429 -4.688 1.00 22.30 H new ATOM 0 HB3 ALA A 354 -3.985 -9.924 -3.687 1.00 22.30 H new ATOM 190 N LYS A 355 -4.142 -7.083 -2.721 1.00 12.44 N ATOM 191 CA LYS A 355 -5.012 -5.933 -2.437 1.00 44.21 C ATOM 192 C LYS A 355 -4.249 -4.620 -2.489 1.00 61.12 C ATOM 193 O LYS A 355 -4.763 -3.628 -3.010 1.00 70.11 O ATOM 194 CB LYS A 355 -5.764 -6.031 -1.108 1.00 2.51 C ATOM 195 CG LYS A 355 -6.837 -7.044 -1.038 1.00 11.13 C ATOM 196 CD LYS A 355 -7.578 -6.853 0.257 1.00 24.12 C ATOM 197 CE LYS A 355 -8.885 -7.553 0.240 1.00 74.35 C ATOM 198 NZ LYS A 355 -8.766 -9.022 0.135 1.00 72.41 N ATOM 0 H LYS A 355 -4.055 -7.753 -1.957 1.00 12.44 H new ATOM 0 HA LYS A 355 -5.758 -5.955 -3.231 1.00 44.21 H new ATOM 0 HB2 LYS A 355 -5.041 -6.243 -0.320 1.00 2.51 H new ATOM 0 HB3 LYS A 355 -6.199 -5.056 -0.888 1.00 2.51 H new ATOM 0 HG2 LYS A 355 -7.516 -6.938 -1.884 1.00 11.13 H new ATOM 0 HG3 LYS A 355 -6.416 -8.048 -1.091 1.00 11.13 H new ATOM 0 HD2 LYS A 355 -6.973 -7.228 1.083 1.00 24.12 H new ATOM 0 HD3 LYS A 355 -7.735 -5.789 0.435 1.00 24.12 H new ATOM 0 HE2 LYS A 355 -9.433 -7.305 1.149 1.00 74.35 H new ATOM 0 HE3 LYS A 355 -9.475 -7.183 -0.599 1.00 74.35 H new ATOM 0 HZ1 LYS A 355 -9.714 -9.443 0.060 1.00 72.41 H new ATOM 0 HZ2 LYS A 355 -8.211 -9.266 -0.710 1.00 72.41 H new ATOM 0 HZ3 LYS A 355 -8.289 -9.393 0.981 1.00 72.41 H new ATOM 212 N ALA A 356 -3.034 -4.608 -1.948 1.00 63.02 N ATOM 213 CA ALA A 356 -2.189 -3.419 -2.008 1.00 1.20 C ATOM 214 C ALA A 356 -1.966 -3.047 -3.456 1.00 42.24 C ATOM 215 O ALA A 356 -2.092 -1.890 -3.845 1.00 64.21 O ATOM 216 CB ALA A 356 -0.862 -3.642 -1.290 1.00 22.11 C ATOM 0 H ALA A 356 -2.614 -5.403 -1.466 1.00 63.02 H new ATOM 0 HA ALA A 356 -2.693 -2.599 -1.496 1.00 1.20 H new ATOM 0 HB1 ALA A 356 -0.257 -2.737 -1.354 1.00 22.11 H new ATOM 0 HB2 ALA A 356 -1.050 -3.880 -0.243 1.00 22.11 H new ATOM 0 HB3 ALA A 356 -0.329 -4.469 -1.759 1.00 22.11 H new ATOM 222 N LEU A 357 -1.672 -4.051 -4.250 1.00 55.13 N ATOM 223 CA LEU A 357 -1.539 -3.894 -5.678 1.00 44.03 C ATOM 224 C LEU A 357 -2.839 -3.418 -6.306 1.00 51.40 C ATOM 225 O LEU A 357 -2.840 -2.461 -7.050 1.00 5.24 O ATOM 226 CB LEU A 357 -1.040 -5.196 -6.335 1.00 74.15 C ATOM 227 CG LEU A 357 0.483 -5.400 -6.429 1.00 15.13 C ATOM 228 CD1 LEU A 357 1.056 -4.427 -7.436 1.00 30.12 C ATOM 229 CD2 LEU A 357 1.164 -5.202 -5.079 1.00 35.02 C ATOM 0 H LEU A 357 -1.518 -5.004 -3.920 1.00 55.13 H new ATOM 0 HA LEU A 357 -0.789 -3.124 -5.859 1.00 44.03 H new ATOM 0 HB2 LEU A 357 -1.459 -6.036 -5.781 1.00 74.15 H new ATOM 0 HB3 LEU A 357 -1.450 -5.243 -7.344 1.00 74.15 H new ATOM 0 HG LEU A 357 0.669 -6.426 -6.747 1.00 15.13 H new ATOM 0 HD11 LEU A 357 2.135 -4.568 -7.505 1.00 30.12 H new ATOM 0 HD12 LEU A 357 0.603 -4.604 -8.412 1.00 30.12 H new ATOM 0 HD13 LEU A 357 0.844 -3.406 -7.117 1.00 30.12 H new ATOM 0 HD21 LEU A 357 2.238 -5.355 -5.187 1.00 35.02 H new ATOM 0 HD22 LEU A 357 0.976 -4.190 -4.721 1.00 35.02 H new ATOM 0 HD23 LEU A 357 0.766 -5.920 -4.362 1.00 35.02 H new ATOM 241 N LYS A 358 -3.950 -4.068 -5.954 1.00 35.31 N ATOM 242 CA LYS A 358 -5.273 -3.757 -6.481 1.00 72.42 C ATOM 243 C LYS A 358 -5.744 -2.334 -6.174 1.00 72.03 C ATOM 244 O LYS A 358 -6.714 -1.863 -6.756 1.00 70.03 O ATOM 245 CB LYS A 358 -6.318 -4.783 -6.030 1.00 73.31 C ATOM 246 CG LYS A 358 -6.089 -6.179 -6.592 1.00 42.32 C ATOM 247 CD LYS A 358 -7.146 -7.178 -6.129 1.00 30.44 C ATOM 248 CE LYS A 358 -8.541 -6.767 -6.569 1.00 13.43 C ATOM 249 NZ LYS A 358 -9.559 -7.771 -6.196 1.00 73.22 N ATOM 0 H LYS A 358 -3.952 -4.837 -5.284 1.00 35.31 H new ATOM 0 HA LYS A 358 -5.169 -3.817 -7.564 1.00 72.42 H new ATOM 0 HB2 LYS A 358 -6.317 -4.835 -4.941 1.00 73.31 H new ATOM 0 HB3 LYS A 358 -7.307 -4.438 -6.332 1.00 73.31 H new ATOM 0 HG2 LYS A 358 -6.090 -6.133 -7.681 1.00 42.32 H new ATOM 0 HG3 LYS A 358 -5.103 -6.532 -6.289 1.00 42.32 H new ATOM 0 HD2 LYS A 358 -6.914 -8.165 -6.530 1.00 30.44 H new ATOM 0 HD3 LYS A 358 -7.117 -7.261 -5.043 1.00 30.44 H new ATOM 0 HE2 LYS A 358 -8.795 -5.808 -6.117 1.00 13.43 H new ATOM 0 HE3 LYS A 358 -8.553 -6.624 -7.649 1.00 13.43 H new ATOM 0 HZ1 LYS A 358 -10.496 -7.451 -6.515 1.00 73.22 H new ATOM 0 HZ2 LYS A 358 -9.332 -8.680 -6.647 1.00 73.22 H new ATOM 0 HZ3 LYS A 358 -9.567 -7.890 -5.163 1.00 73.22 H new ATOM 263 N SER A 359 -5.063 -1.661 -5.271 1.00 12.40 N ATOM 264 CA SER A 359 -5.378 -0.291 -4.941 1.00 55.45 C ATOM 265 C SER A 359 -4.998 0.630 -6.124 1.00 23.15 C ATOM 266 O SER A 359 -5.605 1.687 -6.336 1.00 73.04 O ATOM 267 CB SER A 359 -4.627 0.118 -3.651 1.00 21.05 C ATOM 268 OG SER A 359 -4.903 1.463 -3.270 1.00 13.55 O ATOM 0 H SER A 359 -4.278 -2.048 -4.747 1.00 12.40 H new ATOM 0 HA SER A 359 -6.448 -0.191 -4.761 1.00 55.45 H new ATOM 0 HB2 SER A 359 -4.910 -0.553 -2.840 1.00 21.05 H new ATOM 0 HB3 SER A 359 -3.554 -0.002 -3.804 1.00 21.05 H new ATOM 0 HG SER A 359 -4.410 1.679 -2.451 1.00 13.55 H new ATOM 274 N THR A 360 -4.027 0.201 -6.910 1.00 31.24 N ATOM 275 CA THR A 360 -3.541 0.980 -8.027 1.00 61.21 C ATOM 276 C THR A 360 -3.000 -0.003 -9.099 1.00 70.35 C ATOM 277 O THR A 360 -2.008 0.248 -9.788 1.00 73.44 O ATOM 278 CB THR A 360 -2.423 1.956 -7.523 1.00 63.42 C ATOM 279 OG1 THR A 360 -2.014 2.847 -8.563 1.00 2.11 O ATOM 280 CG2 THR A 360 -1.222 1.186 -7.016 1.00 43.44 C ATOM 0 H THR A 360 -3.556 -0.696 -6.790 1.00 31.24 H new ATOM 0 HA THR A 360 -4.336 1.582 -8.468 1.00 61.21 H new ATOM 0 HB THR A 360 -2.843 2.539 -6.703 1.00 63.42 H new ATOM 0 HG1 THR A 360 -1.802 2.333 -9.370 1.00 2.11 H new ATOM 0 HG21 THR A 360 -0.460 1.885 -6.672 1.00 43.44 H new ATOM 0 HG22 THR A 360 -1.524 0.543 -6.189 1.00 43.44 H new ATOM 0 HG23 THR A 360 -0.816 0.574 -7.821 1.00 43.44 H new ATOM 288 N PHE A 361 -3.755 -1.071 -9.295 1.00 10.34 N ATOM 289 CA PHE A 361 -3.364 -2.218 -10.130 1.00 73.33 C ATOM 290 C PHE A 361 -3.170 -1.811 -11.580 1.00 13.10 C ATOM 291 O PHE A 361 -2.538 -2.524 -12.366 1.00 43.02 O ATOM 292 CB PHE A 361 -4.457 -3.266 -10.060 1.00 64.33 C ATOM 293 CG PHE A 361 -3.978 -4.681 -10.240 1.00 43.51 C ATOM 294 CD1 PHE A 361 -3.435 -5.365 -9.163 1.00 74.43 C ATOM 295 CD2 PHE A 361 -4.087 -5.334 -11.449 1.00 51.53 C ATOM 296 CE1 PHE A 361 -3.010 -6.660 -9.285 1.00 65.20 C ATOM 297 CE2 PHE A 361 -3.654 -6.640 -11.582 1.00 53.01 C ATOM 298 CZ PHE A 361 -3.114 -7.304 -10.498 1.00 63.31 C ATOM 0 H PHE A 361 -4.678 -1.177 -8.874 1.00 10.34 H new ATOM 0 HA PHE A 361 -2.419 -2.610 -9.754 1.00 73.33 H new ATOM 0 HB2 PHE A 361 -4.959 -3.186 -9.096 1.00 64.33 H new ATOM 0 HB3 PHE A 361 -5.202 -3.048 -10.826 1.00 64.33 H new ATOM 0 HD1 PHE A 361 -3.346 -4.866 -8.209 1.00 74.43 H new ATOM 0 HD2 PHE A 361 -4.514 -4.822 -12.299 1.00 51.53 H new ATOM 0 HE1 PHE A 361 -2.594 -7.176 -8.432 1.00 65.20 H new ATOM 0 HE2 PHE A 361 -3.738 -7.142 -12.535 1.00 53.01 H new ATOM 0 HZ PHE A 361 -2.775 -8.324 -10.601 1.00 63.31 H new ATOM 308 N ASP A 362 -3.698 -0.662 -11.925 1.00 75.30 N ATOM 309 CA ASP A 362 -3.633 -0.153 -13.288 1.00 12.21 C ATOM 310 C ASP A 362 -2.268 0.431 -13.571 1.00 54.55 C ATOM 311 O ASP A 362 -1.926 0.721 -14.716 1.00 34.43 O ATOM 312 CB ASP A 362 -4.707 0.901 -13.538 1.00 44.01 C ATOM 313 CG ASP A 362 -6.106 0.370 -13.373 1.00 63.51 C ATOM 314 OD1 ASP A 362 -6.656 -0.211 -14.334 1.00 41.54 O ATOM 315 OD2 ASP A 362 -6.680 0.519 -12.274 1.00 55.12 O ATOM 0 H ASP A 362 -4.187 -0.047 -11.274 1.00 75.30 H new ATOM 0 HA ASP A 362 -3.811 -0.991 -13.962 1.00 12.21 H new ATOM 0 HB2 ASP A 362 -4.557 1.734 -12.851 1.00 44.01 H new ATOM 0 HB3 ASP A 362 -4.592 1.296 -14.547 1.00 44.01 H new ATOM 320 N GLY A 363 -1.492 0.594 -12.529 1.00 42.13 N ATOM 321 CA GLY A 363 -0.173 1.095 -12.663 1.00 60.31 C ATOM 322 C GLY A 363 0.805 0.203 -11.955 1.00 25.33 C ATOM 323 O GLY A 363 1.093 -0.903 -12.423 1.00 14.13 O ATOM 0 H GLY A 363 -1.769 0.380 -11.571 1.00 42.13 H new ATOM 0 HA2 GLY A 363 0.089 1.166 -13.719 1.00 60.31 H new ATOM 0 HA3 GLY A 363 -0.118 2.103 -12.252 1.00 60.31 H new ATOM 327 N ARG A 364 1.295 0.648 -10.825 1.00 22.03 N ATOM 328 CA ARG A 364 2.272 -0.100 -10.070 1.00 51.33 C ATOM 329 C ARG A 364 2.279 0.343 -8.617 1.00 42.20 C ATOM 330 O ARG A 364 1.860 1.457 -8.291 1.00 1.13 O ATOM 331 CB ARG A 364 3.648 0.145 -10.685 1.00 14.12 C ATOM 332 CG ARG A 364 3.987 1.617 -10.740 1.00 20.24 C ATOM 333 CD ARG A 364 5.279 1.895 -11.437 1.00 63.43 C ATOM 334 NE ARG A 364 5.285 1.408 -12.814 1.00 61.11 N ATOM 335 CZ ARG A 364 5.921 2.000 -13.823 1.00 40.42 C ATOM 336 NH1 ARG A 364 6.497 3.184 -13.650 1.00 60.34 N ATOM 337 NH2 ARG A 364 5.937 1.428 -15.014 1.00 75.30 N ATOM 0 H ARG A 364 1.029 1.537 -10.402 1.00 22.03 H new ATOM 0 HA ARG A 364 2.022 -1.160 -10.104 1.00 51.33 H new ATOM 0 HB2 ARG A 364 4.405 -0.380 -10.102 1.00 14.12 H new ATOM 0 HB3 ARG A 364 3.675 -0.272 -11.692 1.00 14.12 H new ATOM 0 HG2 ARG A 364 3.184 2.150 -11.249 1.00 20.24 H new ATOM 0 HG3 ARG A 364 4.037 2.011 -9.725 1.00 20.24 H new ATOM 0 HD2 ARG A 364 5.467 2.969 -11.433 1.00 63.43 H new ATOM 0 HD3 ARG A 364 6.094 1.427 -10.885 1.00 63.43 H new ATOM 0 HE ARG A 364 4.765 0.554 -13.017 1.00 61.11 H new ATOM 0 HH11 ARG A 364 6.454 3.644 -12.741 1.00 60.34 H new ATOM 0 HH12 ARG A 364 6.983 3.633 -14.426 1.00 60.34 H new ATOM 0 HH21 ARG A 364 5.463 0.536 -15.158 1.00 75.30 H new ATOM 0 HH22 ARG A 364 6.423 1.878 -15.790 1.00 75.30 H new ATOM 351 N MET A 365 2.755 -0.520 -7.763 1.00 24.20 N ATOM 352 CA MET A 365 2.924 -0.209 -6.364 1.00 24.32 C ATOM 353 C MET A 365 4.373 -0.129 -6.046 1.00 64.51 C ATOM 354 O MET A 365 5.179 -0.726 -6.726 1.00 0.32 O ATOM 355 CB MET A 365 2.264 -1.251 -5.457 1.00 63.52 C ATOM 356 CG MET A 365 0.915 -0.832 -4.924 1.00 42.54 C ATOM 357 SD MET A 365 1.063 0.658 -3.916 1.00 74.11 S ATOM 358 CE MET A 365 -0.613 0.887 -3.341 1.00 12.42 C ATOM 0 H MET A 365 3.040 -1.466 -8.016 1.00 24.20 H new ATOM 0 HA MET A 365 2.438 0.749 -6.179 1.00 24.32 H new ATOM 0 HB2 MET A 365 2.151 -2.182 -6.012 1.00 63.52 H new ATOM 0 HB3 MET A 365 2.927 -1.459 -4.617 1.00 63.52 H new ATOM 0 HG2 MET A 365 0.231 -0.650 -5.753 1.00 42.54 H new ATOM 0 HG3 MET A 365 0.487 -1.639 -4.329 1.00 42.54 H new ATOM 0 HE1 MET A 365 -0.832 1.953 -3.274 1.00 12.42 H new ATOM 0 HE2 MET A 365 -1.305 0.417 -4.040 1.00 12.42 H new ATOM 0 HE3 MET A 365 -0.726 0.431 -2.357 1.00 12.42 H new ATOM 368 N ARG A 366 4.721 0.627 -5.060 1.00 0.44 N ATOM 369 CA ARG A 366 6.095 0.648 -4.626 1.00 31.33 C ATOM 370 C ARG A 366 6.187 -0.320 -3.484 1.00 73.23 C ATOM 371 O ARG A 366 5.211 -0.488 -2.763 1.00 25.25 O ATOM 372 CB ARG A 366 6.544 2.032 -4.119 1.00 73.21 C ATOM 373 CG ARG A 366 6.376 3.201 -5.083 1.00 52.21 C ATOM 374 CD ARG A 366 7.070 2.965 -6.409 1.00 4.20 C ATOM 375 NE ARG A 366 7.027 4.156 -7.274 1.00 14.41 N ATOM 376 CZ ARG A 366 6.049 4.445 -8.149 1.00 74.32 C ATOM 377 NH1 ARG A 366 4.903 3.785 -8.114 1.00 51.23 N ATOM 378 NH2 ARG A 366 6.199 5.444 -9.006 1.00 42.22 N ATOM 0 H ARG A 366 4.089 1.235 -4.539 1.00 0.44 H new ATOM 0 HA ARG A 366 6.737 0.393 -5.469 1.00 31.33 H new ATOM 0 HB2 ARG A 366 5.988 2.258 -3.209 1.00 73.21 H new ATOM 0 HB3 ARG A 366 7.596 1.968 -3.842 1.00 73.21 H new ATOM 0 HG2 ARG A 366 5.314 3.373 -5.258 1.00 52.21 H new ATOM 0 HG3 ARG A 366 6.774 4.106 -4.624 1.00 52.21 H new ATOM 0 HD2 ARG A 366 8.108 2.684 -6.230 1.00 4.20 H new ATOM 0 HD3 ARG A 366 6.597 2.127 -6.922 1.00 4.20 H new ATOM 0 HE ARG A 366 7.802 4.815 -7.203 1.00 14.41 H new ATOM 0 HH11 ARG A 366 4.758 3.052 -7.420 1.00 51.23 H new ATOM 0 HH12 ARG A 366 4.165 4.009 -8.781 1.00 51.23 H new ATOM 0 HH21 ARG A 366 7.058 5.995 -9.002 1.00 42.22 H new ATOM 0 HH22 ARG A 366 5.456 5.662 -9.670 1.00 42.22 H new ATOM 392 N LEU A 367 7.310 -0.964 -3.321 1.00 70.54 N ATOM 393 CA LEU A 367 7.506 -1.855 -2.199 1.00 33.21 C ATOM 394 C LEU A 367 7.239 -1.150 -0.837 1.00 12.25 C ATOM 395 O LEU A 367 6.628 -1.734 0.056 1.00 62.43 O ATOM 396 CB LEU A 367 8.877 -2.520 -2.307 1.00 11.04 C ATOM 397 CG LEU A 367 9.343 -3.392 -1.160 1.00 23.34 C ATOM 398 CD1 LEU A 367 8.279 -4.387 -0.780 1.00 54.15 C ATOM 399 CD2 LEU A 367 10.568 -4.133 -1.613 1.00 44.25 C ATOM 0 H LEU A 367 8.109 -0.891 -3.951 1.00 70.54 H new ATOM 0 HA LEU A 367 6.763 -2.652 -2.235 1.00 33.21 H new ATOM 0 HB2 LEU A 367 8.881 -3.129 -3.211 1.00 11.04 H new ATOM 0 HB3 LEU A 367 9.618 -1.733 -2.449 1.00 11.04 H new ATOM 0 HG LEU A 367 9.557 -2.769 -0.291 1.00 23.34 H new ATOM 0 HD11 LEU A 367 8.635 -5.003 0.046 1.00 54.15 H new ATOM 0 HD12 LEU A 367 7.377 -3.856 -0.474 1.00 54.15 H new ATOM 0 HD13 LEU A 367 8.053 -5.023 -1.636 1.00 54.15 H new ATOM 0 HD21 LEU A 367 10.927 -4.771 -0.805 1.00 44.25 H new ATOM 0 HD22 LEU A 367 10.322 -4.748 -2.479 1.00 44.25 H new ATOM 0 HD23 LEU A 367 11.346 -3.419 -1.884 1.00 44.25 H new ATOM 411 N ASN A 368 7.642 0.116 -0.712 1.00 35.21 N ATOM 412 CA ASN A 368 7.329 0.898 0.510 1.00 21.44 C ATOM 413 C ASN A 368 5.825 1.114 0.619 1.00 21.12 C ATOM 414 O ASN A 368 5.253 1.048 1.702 1.00 15.40 O ATOM 415 CB ASN A 368 8.029 2.281 0.543 1.00 4.13 C ATOM 416 CG ASN A 368 9.551 2.247 0.604 1.00 45.50 C ATOM 417 OD1 ASN A 368 10.204 1.348 0.062 1.00 65.30 O ATOM 418 ND2 ASN A 368 10.125 3.206 1.289 1.00 62.04 N ATOM 0 H ASN A 368 8.175 0.623 -1.419 1.00 35.21 H new ATOM 0 HA ASN A 368 7.703 0.314 1.351 1.00 21.44 H new ATOM 0 HB2 ASN A 368 7.731 2.840 -0.344 1.00 4.13 H new ATOM 0 HB3 ASN A 368 7.661 2.834 1.407 1.00 4.13 H new ATOM 0 HD21 ASN A 368 11.140 3.225 1.387 1.00 62.04 H new ATOM 0 HD22 ASN A 368 9.557 3.933 1.724 1.00 62.04 H new ATOM 425 N GLU A 369 5.190 1.339 -0.522 1.00 44.52 N ATOM 426 CA GLU A 369 3.754 1.564 -0.587 1.00 21.44 C ATOM 427 C GLU A 369 2.971 0.331 -0.176 1.00 44.43 C ATOM 428 O GLU A 369 1.892 0.446 0.376 1.00 53.14 O ATOM 429 CB GLU A 369 3.338 2.047 -1.963 1.00 74.44 C ATOM 430 CG GLU A 369 3.804 3.448 -2.289 1.00 23.21 C ATOM 431 CD GLU A 369 3.168 4.469 -1.389 1.00 31.31 C ATOM 432 OE1 GLU A 369 2.039 4.921 -1.693 1.00 63.22 O ATOM 433 OE2 GLU A 369 3.775 4.830 -0.359 1.00 25.14 O ATOM 0 H GLU A 369 5.656 1.371 -1.429 1.00 44.52 H new ATOM 0 HA GLU A 369 3.516 2.350 0.130 1.00 21.44 H new ATOM 0 HB2 GLU A 369 3.732 1.360 -2.712 1.00 74.44 H new ATOM 0 HB3 GLU A 369 2.251 2.010 -2.037 1.00 74.44 H new ATOM 0 HG2 GLU A 369 4.888 3.503 -2.192 1.00 23.21 H new ATOM 0 HG3 GLU A 369 3.565 3.679 -3.327 1.00 23.21 H new ATOM 440 N ILE A 370 3.529 -0.845 -0.448 1.00 2.05 N ATOM 441 CA ILE A 370 2.929 -2.100 -0.001 1.00 24.50 C ATOM 442 C ILE A 370 2.823 -2.079 1.513 1.00 24.43 C ATOM 443 O ILE A 370 1.761 -2.317 2.075 1.00 0.40 O ATOM 444 CB ILE A 370 3.778 -3.324 -0.458 1.00 51.22 C ATOM 445 CG1 ILE A 370 3.815 -3.379 -1.993 1.00 11.22 C ATOM 446 CG2 ILE A 370 3.251 -4.649 0.136 1.00 30.14 C ATOM 447 CD1 ILE A 370 4.646 -4.500 -2.553 1.00 72.01 C ATOM 0 H ILE A 370 4.395 -0.956 -0.975 1.00 2.05 H new ATOM 0 HA ILE A 370 1.939 -2.198 -0.446 1.00 24.50 H new ATOM 0 HB ILE A 370 4.792 -3.197 -0.080 1.00 51.22 H new ATOM 0 HG12 ILE A 370 2.795 -3.477 -2.366 1.00 11.22 H new ATOM 0 HG13 ILE A 370 4.202 -2.432 -2.369 1.00 11.22 H new ATOM 0 HG21 ILE A 370 3.873 -5.475 -0.209 1.00 30.14 H new ATOM 0 HG22 ILE A 370 3.285 -4.599 1.224 1.00 30.14 H new ATOM 0 HG23 ILE A 370 2.223 -4.809 -0.188 1.00 30.14 H new ATOM 0 HD11 ILE A 370 4.617 -4.465 -3.642 1.00 72.01 H new ATOM 0 HD12 ILE A 370 5.676 -4.394 -2.213 1.00 72.01 H new ATOM 0 HD13 ILE A 370 4.248 -5.455 -2.210 1.00 72.01 H new ATOM 459 N TYR A 371 3.922 -1.726 2.155 1.00 51.53 N ATOM 460 CA TYR A 371 3.974 -1.626 3.603 1.00 60.55 C ATOM 461 C TYR A 371 3.015 -0.551 4.107 1.00 40.34 C ATOM 462 O TYR A 371 2.285 -0.757 5.081 1.00 45.02 O ATOM 463 CB TYR A 371 5.400 -1.338 4.075 1.00 71.22 C ATOM 464 CG TYR A 371 6.398 -2.408 3.706 1.00 24.43 C ATOM 465 CD1 TYR A 371 6.158 -3.744 3.991 1.00 1.33 C ATOM 466 CD2 TYR A 371 7.580 -2.082 3.064 1.00 25.30 C ATOM 467 CE1 TYR A 371 7.071 -4.719 3.649 1.00 74.15 C ATOM 468 CE2 TYR A 371 8.497 -3.052 2.722 1.00 34.53 C ATOM 469 CZ TYR A 371 8.239 -4.365 3.016 1.00 13.33 C ATOM 470 OH TYR A 371 9.158 -5.327 2.683 1.00 31.21 O ATOM 0 H TYR A 371 4.801 -1.501 1.689 1.00 51.53 H new ATOM 0 HA TYR A 371 3.662 -2.584 4.019 1.00 60.55 H new ATOM 0 HB2 TYR A 371 5.727 -0.389 3.651 1.00 71.22 H new ATOM 0 HB3 TYR A 371 5.396 -1.218 5.158 1.00 71.22 H new ATOM 0 HD1 TYR A 371 5.242 -4.025 4.489 1.00 1.33 H new ATOM 0 HD2 TYR A 371 7.787 -1.049 2.827 1.00 25.30 H new ATOM 0 HE1 TYR A 371 6.870 -5.755 3.877 1.00 74.15 H new ATOM 0 HE2 TYR A 371 9.415 -2.778 2.224 1.00 34.53 H new ATOM 0 HH TYR A 371 9.925 -4.907 2.241 1.00 31.21 H new ATOM 480 N ASN A 372 3.002 0.568 3.421 1.00 54.30 N ATOM 481 CA ASN A 372 2.123 1.695 3.765 1.00 15.33 C ATOM 482 C ASN A 372 0.653 1.323 3.636 1.00 14.44 C ATOM 483 O ASN A 372 -0.184 1.789 4.424 1.00 31.44 O ATOM 484 CB ASN A 372 2.438 2.948 2.925 1.00 54.42 C ATOM 485 CG ASN A 372 3.796 3.558 3.238 1.00 51.52 C ATOM 486 OD1 ASN A 372 4.291 3.481 4.371 1.00 61.44 O ATOM 487 ND2 ASN A 372 4.406 4.176 2.257 1.00 14.13 N ATOM 0 H ASN A 372 3.594 0.737 2.608 1.00 54.30 H new ATOM 0 HA ASN A 372 2.321 1.934 4.810 1.00 15.33 H new ATOM 0 HB2 ASN A 372 2.400 2.687 1.867 1.00 54.42 H new ATOM 0 HB3 ASN A 372 1.664 3.696 3.096 1.00 54.42 H new ATOM 0 HD21 ASN A 372 5.315 4.611 2.415 1.00 14.13 H new ATOM 0 HD22 ASN A 372 3.972 4.222 1.335 1.00 14.13 H new ATOM 494 N TRP A 373 0.337 0.478 2.653 1.00 42.44 N ATOM 495 CA TRP A 373 -1.021 0.004 2.447 1.00 13.01 C ATOM 496 C TRP A 373 -1.517 -0.715 3.690 1.00 42.42 C ATOM 497 O TRP A 373 -2.574 -0.380 4.228 1.00 62.21 O ATOM 498 CB TRP A 373 -1.104 -0.934 1.236 1.00 5.14 C ATOM 499 CG TRP A 373 -2.508 -1.419 0.940 1.00 54.22 C ATOM 500 CD1 TRP A 373 -3.408 -0.845 0.094 1.00 24.21 C ATOM 501 CD2 TRP A 373 -3.162 -2.576 1.495 1.00 5.42 C ATOM 502 NE1 TRP A 373 -4.572 -1.573 0.086 1.00 24.12 N ATOM 503 CE2 TRP A 373 -4.446 -2.637 0.938 1.00 11.21 C ATOM 504 CE3 TRP A 373 -2.779 -3.559 2.407 1.00 12.31 C ATOM 505 CZ2 TRP A 373 -5.353 -3.645 1.263 1.00 53.40 C ATOM 506 CZ3 TRP A 373 -3.674 -4.555 2.730 1.00 50.42 C ATOM 507 CH2 TRP A 373 -4.946 -4.592 2.159 1.00 24.35 C ATOM 0 H TRP A 373 1.014 0.109 1.985 1.00 42.44 H new ATOM 0 HA TRP A 373 -1.654 0.870 2.252 1.00 13.01 H new ATOM 0 HB2 TRP A 373 -0.715 -0.417 0.359 1.00 5.14 H new ATOM 0 HB3 TRP A 373 -0.460 -1.796 1.410 1.00 5.14 H new ATOM 0 HD1 TRP A 373 -3.232 0.050 -0.485 1.00 24.21 H new ATOM 0 HE1 TRP A 373 -5.400 -1.355 -0.468 1.00 24.12 H new ATOM 0 HE3 TRP A 373 -1.796 -3.540 2.853 1.00 12.31 H new ATOM 0 HZ2 TRP A 373 -6.339 -3.676 0.823 1.00 53.40 H new ATOM 0 HZ3 TRP A 373 -3.386 -5.319 3.437 1.00 50.42 H new ATOM 0 HH2 TRP A 373 -5.624 -5.387 2.431 1.00 24.35 H new ATOM 518 N PHE A 374 -0.742 -1.692 4.149 1.00 24.44 N ATOM 519 CA PHE A 374 -1.093 -2.474 5.336 1.00 73.00 C ATOM 520 C PHE A 374 -1.234 -1.595 6.550 1.00 3.35 C ATOM 521 O PHE A 374 -2.167 -1.744 7.317 1.00 45.34 O ATOM 522 CB PHE A 374 -0.065 -3.581 5.616 1.00 64.14 C ATOM 523 CG PHE A 374 -0.038 -4.713 4.634 1.00 65.25 C ATOM 524 CD1 PHE A 374 0.722 -4.643 3.493 1.00 73.54 C ATOM 525 CD2 PHE A 374 -0.768 -5.857 4.872 1.00 43.21 C ATOM 526 CE1 PHE A 374 0.756 -5.690 2.596 1.00 12.13 C ATOM 527 CE2 PHE A 374 -0.742 -6.906 3.985 1.00 21.33 C ATOM 528 CZ PHE A 374 0.023 -6.823 2.843 1.00 24.13 C ATOM 0 H PHE A 374 0.140 -1.965 3.716 1.00 24.44 H new ATOM 0 HA PHE A 374 -2.054 -2.943 5.126 1.00 73.00 H new ATOM 0 HB2 PHE A 374 0.927 -3.130 5.648 1.00 64.14 H new ATOM 0 HB3 PHE A 374 -0.261 -3.990 6.607 1.00 64.14 H new ATOM 0 HD1 PHE A 374 1.302 -3.754 3.295 1.00 73.54 H new ATOM 0 HD2 PHE A 374 -1.368 -5.930 5.767 1.00 43.21 H new ATOM 0 HE1 PHE A 374 1.358 -5.618 1.702 1.00 12.13 H new ATOM 0 HE2 PHE A 374 -1.321 -7.796 4.183 1.00 21.33 H new ATOM 0 HZ PHE A 374 0.046 -7.647 2.145 1.00 24.13 H new ATOM 538 N ALA A 375 -0.316 -0.676 6.703 1.00 24.53 N ATOM 539 CA ALA A 375 -0.310 0.239 7.836 1.00 42.34 C ATOM 540 C ALA A 375 -1.594 1.060 7.896 1.00 73.35 C ATOM 541 O ALA A 375 -2.212 1.202 8.952 1.00 44.22 O ATOM 542 CB ALA A 375 0.894 1.151 7.750 1.00 71.04 C ATOM 0 H ALA A 375 0.454 -0.533 6.049 1.00 24.53 H new ATOM 0 HA ALA A 375 -0.252 -0.351 8.751 1.00 42.34 H new ATOM 0 HB1 ALA A 375 0.895 1.834 8.600 1.00 71.04 H new ATOM 0 HB2 ALA A 375 1.805 0.553 7.765 1.00 71.04 H new ATOM 0 HB3 ALA A 375 0.851 1.724 6.824 1.00 71.04 H new ATOM 548 N SER A 376 -1.998 1.573 6.770 1.00 0.30 N ATOM 549 CA SER A 376 -3.165 2.405 6.700 1.00 33.41 C ATOM 550 C SER A 376 -4.473 1.594 6.724 1.00 1.42 C ATOM 551 O SER A 376 -5.445 1.997 7.372 1.00 0.13 O ATOM 552 CB SER A 376 -3.092 3.270 5.452 1.00 23.32 C ATOM 553 OG SER A 376 -1.885 4.028 5.447 1.00 13.23 O ATOM 0 H SER A 376 -1.529 1.427 5.876 1.00 0.30 H new ATOM 0 HA SER A 376 -3.179 3.036 7.588 1.00 33.41 H new ATOM 0 HB2 SER A 376 -3.139 2.642 4.562 1.00 23.32 H new ATOM 0 HB3 SER A 376 -3.951 3.940 5.415 1.00 23.32 H new ATOM 0 HG SER A 376 -1.150 3.471 5.116 1.00 13.23 H new ATOM 559 N ASN A 377 -4.490 0.446 6.062 1.00 70.14 N ATOM 560 CA ASN A 377 -5.730 -0.324 5.932 1.00 40.21 C ATOM 561 C ASN A 377 -5.938 -1.316 7.053 1.00 11.13 C ATOM 562 O ASN A 377 -7.043 -1.843 7.226 1.00 41.23 O ATOM 563 CB ASN A 377 -5.837 -1.008 4.559 1.00 70.55 C ATOM 564 CG ASN A 377 -6.013 -0.016 3.427 1.00 44.04 C ATOM 565 OD1 ASN A 377 -7.135 0.337 3.061 1.00 24.31 O ATOM 566 ND2 ASN A 377 -4.921 0.445 2.871 1.00 3.11 N ATOM 0 H ASN A 377 -3.676 0.028 5.611 1.00 70.14 H new ATOM 0 HA ASN A 377 -6.538 0.404 6.011 1.00 40.21 H new ATOM 0 HB2 ASN A 377 -4.940 -1.601 4.382 1.00 70.55 H new ATOM 0 HB3 ASN A 377 -6.680 -1.699 4.566 1.00 70.55 H new ATOM 0 HD21 ASN A 377 -4.983 1.119 2.108 1.00 3.11 H new ATOM 0 HD22 ASN A 377 -4.009 0.130 3.201 1.00 3.11 H new ATOM 573 N VAL A 378 -4.899 -1.583 7.804 1.00 32.21 N ATOM 574 CA VAL A 378 -4.981 -2.483 8.933 1.00 53.12 C ATOM 575 C VAL A 378 -4.493 -1.748 10.179 1.00 33.53 C ATOM 576 O VAL A 378 -3.333 -1.332 10.248 1.00 61.54 O ATOM 577 CB VAL A 378 -4.132 -3.765 8.712 1.00 72.01 C ATOM 578 CG1 VAL A 378 -4.289 -4.744 9.866 1.00 15.14 C ATOM 579 CG2 VAL A 378 -4.485 -4.431 7.390 1.00 42.34 C ATOM 0 H VAL A 378 -3.972 -1.184 7.652 1.00 32.21 H new ATOM 0 HA VAL A 378 -6.018 -2.796 9.053 1.00 53.12 H new ATOM 0 HB VAL A 378 -3.086 -3.461 8.674 1.00 72.01 H new ATOM 0 HG11 VAL A 378 -3.681 -5.629 9.678 1.00 15.14 H new ATOM 0 HG12 VAL A 378 -3.963 -4.270 10.792 1.00 15.14 H new ATOM 0 HG13 VAL A 378 -5.336 -5.035 9.956 1.00 15.14 H new ATOM 0 HG21 VAL A 378 -3.877 -5.326 7.260 1.00 42.34 H new ATOM 0 HG22 VAL A 378 -5.540 -4.706 7.391 1.00 42.34 H new ATOM 0 HG23 VAL A 378 -4.292 -3.738 6.571 1.00 42.34 H new ATOM 589 N PRO A 379 -5.361 -1.596 11.187 1.00 53.41 N ATOM 590 CA PRO A 379 -5.059 -0.804 12.394 1.00 12.31 C ATOM 591 C PRO A 379 -3.889 -1.371 13.212 1.00 30.52 C ATOM 592 O PRO A 379 -3.194 -0.631 13.924 1.00 64.51 O ATOM 593 CB PRO A 379 -6.369 -0.829 13.190 1.00 22.24 C ATOM 594 CG PRO A 379 -7.130 -2.004 12.669 1.00 23.54 C ATOM 595 CD PRO A 379 -6.706 -2.199 11.240 1.00 63.31 C ATOM 0 HA PRO A 379 -4.734 0.205 12.139 1.00 12.31 H new ATOM 0 HB2 PRO A 379 -6.177 -0.928 14.258 1.00 22.24 H new ATOM 0 HB3 PRO A 379 -6.930 0.095 13.051 1.00 22.24 H new ATOM 0 HG2 PRO A 379 -6.917 -2.895 13.260 1.00 23.54 H new ATOM 0 HG3 PRO A 379 -8.204 -1.828 12.733 1.00 23.54 H new ATOM 0 HD2 PRO A 379 -6.682 -3.255 10.970 1.00 63.31 H new ATOM 0 HD3 PRO A 379 -7.392 -1.709 10.549 1.00 63.31 H new ATOM 603 N TYR A 380 -3.666 -2.667 13.095 1.00 11.32 N ATOM 604 CA TYR A 380 -2.564 -3.322 13.768 1.00 34.32 C ATOM 605 C TYR A 380 -1.238 -2.843 13.182 1.00 2.23 C ATOM 606 O TYR A 380 -0.267 -2.663 13.893 1.00 72.34 O ATOM 607 CB TYR A 380 -2.726 -4.839 13.617 1.00 22.13 C ATOM 608 CG TYR A 380 -1.638 -5.662 14.234 1.00 72.12 C ATOM 609 CD1 TYR A 380 -1.513 -5.751 15.601 1.00 23.51 C ATOM 610 CD2 TYR A 380 -0.733 -6.348 13.446 1.00 14.13 C ATOM 611 CE1 TYR A 380 -0.521 -6.501 16.171 1.00 31.53 C ATOM 612 CE2 TYR A 380 0.268 -7.104 14.005 1.00 53.24 C ATOM 613 CZ TYR A 380 0.369 -7.179 15.372 1.00 2.23 C ATOM 614 OH TYR A 380 1.370 -7.929 15.941 1.00 4.42 O ATOM 0 H TYR A 380 -4.243 -3.292 12.532 1.00 11.32 H new ATOM 0 HA TYR A 380 -2.566 -3.072 14.829 1.00 34.32 H new ATOM 0 HB2 TYR A 380 -3.677 -5.132 14.061 1.00 22.13 H new ATOM 0 HB3 TYR A 380 -2.782 -5.078 12.555 1.00 22.13 H new ATOM 0 HD1 TYR A 380 -2.209 -5.221 16.234 1.00 23.51 H new ATOM 0 HD2 TYR A 380 -0.815 -6.288 12.371 1.00 14.13 H new ATOM 0 HE1 TYR A 380 -0.437 -6.560 17.246 1.00 31.53 H new ATOM 0 HE2 TYR A 380 0.968 -7.634 13.376 1.00 53.24 H new ATOM 0 HH TYR A 380 1.910 -8.343 15.236 1.00 4.42 H new ATOM 624 N PHE A 381 -1.200 -2.652 11.890 1.00 51.41 N ATOM 625 CA PHE A 381 -0.002 -2.168 11.264 1.00 14.30 C ATOM 626 C PHE A 381 0.173 -0.696 11.462 1.00 20.51 C ATOM 627 O PHE A 381 1.282 -0.210 11.499 1.00 74.14 O ATOM 628 CB PHE A 381 0.110 -2.594 9.830 1.00 20.12 C ATOM 629 CG PHE A 381 0.096 -4.066 9.710 1.00 74.13 C ATOM 630 CD1 PHE A 381 0.922 -4.841 10.502 1.00 14.03 C ATOM 631 CD2 PHE A 381 -0.737 -4.678 8.829 1.00 75.42 C ATOM 632 CE1 PHE A 381 0.902 -6.200 10.408 1.00 71.31 C ATOM 633 CE2 PHE A 381 -0.762 -6.029 8.725 1.00 14.11 C ATOM 634 CZ PHE A 381 0.062 -6.796 9.523 1.00 54.33 C ATOM 0 H PHE A 381 -1.980 -2.823 11.255 1.00 51.41 H new ATOM 0 HA PHE A 381 0.838 -2.643 11.771 1.00 14.30 H new ATOM 0 HB2 PHE A 381 -0.715 -2.171 9.256 1.00 20.12 H new ATOM 0 HB3 PHE A 381 1.031 -2.200 9.401 1.00 20.12 H new ATOM 0 HD1 PHE A 381 1.591 -4.364 11.203 1.00 14.03 H new ATOM 0 HD2 PHE A 381 -1.386 -4.082 8.205 1.00 75.42 H new ATOM 0 HE1 PHE A 381 1.549 -6.798 11.032 1.00 71.31 H new ATOM 0 HE2 PHE A 381 -1.426 -6.505 8.018 1.00 14.11 H new ATOM 0 HZ PHE A 381 0.039 -7.873 9.444 1.00 54.33 H new ATOM 644 N GLY A 382 -0.937 0.012 11.594 1.00 2.24 N ATOM 645 CA GLY A 382 -0.897 1.438 11.859 1.00 31.44 C ATOM 646 C GLY A 382 -0.130 1.760 13.130 1.00 65.24 C ATOM 647 O GLY A 382 0.582 2.769 13.205 1.00 35.00 O ATOM 0 H GLY A 382 -1.876 -0.379 11.522 1.00 2.24 H new ATOM 0 HA2 GLY A 382 -0.433 1.950 11.016 1.00 31.44 H new ATOM 0 HA3 GLY A 382 -1.915 1.820 11.943 1.00 31.44 H new ATOM 651 N ASN A 383 -0.239 0.885 14.117 1.00 55.40 N ATOM 652 CA ASN A 383 0.449 1.075 15.363 1.00 31.20 C ATOM 653 C ASN A 383 1.881 0.498 15.302 1.00 51.31 C ATOM 654 O ASN A 383 2.651 0.609 16.242 1.00 33.33 O ATOM 655 CB ASN A 383 -0.397 0.521 16.555 1.00 54.53 C ATOM 656 CG ASN A 383 -0.596 -0.993 16.640 1.00 34.51 C ATOM 657 OD1 ASN A 383 -1.667 -1.453 17.022 1.00 4.41 O ATOM 658 ND2 ASN A 383 0.423 -1.757 16.416 1.00 44.43 N ATOM 0 H ASN A 383 -0.802 0.036 14.069 1.00 55.40 H new ATOM 0 HA ASN A 383 0.565 2.144 15.543 1.00 31.20 H new ATOM 0 HB2 ASN A 383 0.073 0.850 17.482 1.00 54.53 H new ATOM 0 HB3 ASN A 383 -1.381 0.987 16.513 1.00 54.53 H new ATOM 0 HD21 ASN A 383 0.346 -2.764 16.557 1.00 44.43 H new ATOM 0 HD22 ASN A 383 1.304 -1.352 16.099 1.00 44.43 H new ATOM 665 N ARG A 384 2.209 -0.144 14.186 1.00 44.10 N ATOM 666 CA ARG A 384 3.553 -0.659 13.930 1.00 33.15 C ATOM 667 C ARG A 384 4.092 -0.049 12.658 1.00 14.11 C ATOM 668 O ARG A 384 4.390 -0.748 11.694 1.00 14.41 O ATOM 669 CB ARG A 384 3.616 -2.197 13.847 1.00 44.44 C ATOM 670 CG ARG A 384 3.267 -2.920 15.125 1.00 35.51 C ATOM 671 CD ARG A 384 3.522 -4.412 15.007 1.00 13.14 C ATOM 672 NE ARG A 384 3.177 -5.111 16.248 1.00 10.10 N ATOM 673 CZ ARG A 384 3.902 -6.065 16.833 1.00 74.45 C ATOM 674 NH1 ARG A 384 5.052 -6.452 16.307 1.00 42.41 N ATOM 675 NH2 ARG A 384 3.465 -6.640 17.952 1.00 53.30 N ATOM 0 H ARG A 384 1.549 -0.323 13.429 1.00 44.10 H new ATOM 0 HA ARG A 384 4.170 -0.374 14.782 1.00 33.15 H new ATOM 0 HB2 ARG A 384 2.938 -2.531 13.061 1.00 44.44 H new ATOM 0 HB3 ARG A 384 4.622 -2.489 13.545 1.00 44.44 H new ATOM 0 HG2 ARG A 384 3.856 -2.513 15.947 1.00 35.51 H new ATOM 0 HG3 ARG A 384 2.219 -2.747 15.368 1.00 35.51 H new ATOM 0 HD2 ARG A 384 2.936 -4.819 14.183 1.00 13.14 H new ATOM 0 HD3 ARG A 384 4.571 -4.586 14.769 1.00 13.14 H new ATOM 0 HE ARG A 384 2.305 -4.844 16.705 1.00 10.10 H new ATOM 0 HH11 ARG A 384 5.391 -6.020 15.447 1.00 42.41 H new ATOM 0 HH12 ARG A 384 5.600 -7.182 16.761 1.00 42.41 H new ATOM 0 HH21 ARG A 384 2.576 -6.351 18.361 1.00 53.30 H new ATOM 0 HH22 ARG A 384 4.019 -7.370 18.400 1.00 53.30 H new ATOM 689 N THR A 385 4.192 1.247 12.664 1.00 44.24 N ATOM 690 CA THR A 385 4.586 2.006 11.495 1.00 70.31 C ATOM 691 C THR A 385 6.013 2.521 11.553 1.00 73.21 C ATOM 692 O THR A 385 6.570 2.936 10.534 1.00 52.51 O ATOM 693 CB THR A 385 3.618 3.165 11.261 1.00 14.15 C ATOM 694 OG1 THR A 385 3.271 3.769 12.528 1.00 32.23 O ATOM 695 CG2 THR A 385 2.376 2.696 10.550 1.00 4.42 C ATOM 0 H THR A 385 4.002 1.821 13.485 1.00 44.24 H new ATOM 0 HA THR A 385 4.544 1.311 10.656 1.00 70.31 H new ATOM 0 HB THR A 385 4.108 3.905 10.628 1.00 14.15 H new ATOM 0 HG1 THR A 385 2.372 3.481 12.792 1.00 32.23 H new ATOM 0 HG21 THR A 385 1.704 3.540 10.396 1.00 4.42 H new ATOM 0 HG22 THR A 385 2.649 2.268 9.585 1.00 4.42 H new ATOM 0 HG23 THR A 385 1.875 1.939 11.154 1.00 4.42 H new ATOM 703 N SER A 386 6.606 2.502 12.718 1.00 41.41 N ATOM 704 CA SER A 386 7.952 2.962 12.850 1.00 75.41 C ATOM 705 C SER A 386 8.906 1.865 12.312 1.00 75.41 C ATOM 706 O SER A 386 8.488 0.716 12.143 1.00 64.30 O ATOM 707 CB SER A 386 8.236 3.338 14.310 1.00 63.13 C ATOM 708 OG SER A 386 9.498 3.948 14.450 1.00 62.31 O ATOM 0 H SER A 386 6.175 2.173 13.582 1.00 41.41 H new ATOM 0 HA SER A 386 8.115 3.864 12.261 1.00 75.41 H new ATOM 0 HB2 SER A 386 7.461 4.015 14.670 1.00 63.13 H new ATOM 0 HB3 SER A 386 8.192 2.444 14.932 1.00 63.13 H new ATOM 0 HG SER A 386 9.648 4.177 15.391 1.00 62.31 H new ATOM 714 N GLN A 387 10.151 2.222 12.065 1.00 45.20 N ATOM 715 CA GLN A 387 11.136 1.339 11.397 1.00 14.52 C ATOM 716 C GLN A 387 11.276 -0.036 12.076 1.00 62.55 C ATOM 717 O GLN A 387 11.120 -1.076 11.428 1.00 70.25 O ATOM 718 CB GLN A 387 12.484 2.043 11.361 1.00 55.20 C ATOM 719 CG GLN A 387 13.571 1.326 10.587 1.00 51.13 C ATOM 720 CD GLN A 387 14.885 2.069 10.657 1.00 11.21 C ATOM 721 OE1 GLN A 387 15.181 2.744 11.658 1.00 53.23 O ATOM 722 NE2 GLN A 387 15.668 1.986 9.613 1.00 14.24 N ATOM 0 H GLN A 387 10.528 3.136 12.317 1.00 45.20 H new ATOM 0 HA GLN A 387 10.773 1.146 10.388 1.00 14.52 H new ATOM 0 HB2 GLN A 387 12.346 3.034 10.928 1.00 55.20 H new ATOM 0 HB3 GLN A 387 12.826 2.188 12.386 1.00 55.20 H new ATOM 0 HG2 GLN A 387 13.699 0.320 10.986 1.00 51.13 H new ATOM 0 HG3 GLN A 387 13.267 1.220 9.546 1.00 51.13 H new ATOM 0 HE21 GLN A 387 15.390 1.421 8.810 1.00 14.24 H new ATOM 0 HE22 GLN A 387 16.557 2.486 9.601 1.00 14.24 H new ATOM 731 N GLU A 388 11.518 -0.034 13.363 1.00 1.23 N ATOM 732 CA GLU A 388 11.718 -1.268 14.109 1.00 40.34 C ATOM 733 C GLU A 388 10.375 -1.904 14.442 1.00 61.40 C ATOM 734 O GLU A 388 10.273 -3.114 14.650 1.00 44.50 O ATOM 735 CB GLU A 388 12.504 -0.983 15.384 1.00 31.02 C ATOM 736 CG GLU A 388 13.851 -0.320 15.143 1.00 72.30 C ATOM 737 CD GLU A 388 14.782 -1.173 14.321 1.00 61.51 C ATOM 738 OE1 GLU A 388 15.537 -1.965 14.909 1.00 4.40 O ATOM 739 OE2 GLU A 388 14.784 -1.061 13.085 1.00 70.12 O ATOM 0 H GLU A 388 11.583 0.813 13.927 1.00 1.23 H new ATOM 0 HA GLU A 388 12.288 -1.966 13.495 1.00 40.34 H new ATOM 0 HB2 GLU A 388 11.906 -0.343 16.032 1.00 31.02 H new ATOM 0 HB3 GLU A 388 12.662 -1.920 15.919 1.00 31.02 H new ATOM 0 HG2 GLU A 388 13.697 0.633 14.637 1.00 72.30 H new ATOM 0 HG3 GLU A 388 14.319 -0.099 16.102 1.00 72.30 H new ATOM 746 N GLN A 389 9.347 -1.081 14.452 1.00 63.32 N ATOM 747 CA GLN A 389 7.994 -1.514 14.743 1.00 12.34 C ATOM 748 C GLN A 389 7.422 -2.329 13.596 1.00 61.14 C ATOM 749 O GLN A 389 6.644 -3.252 13.805 1.00 24.52 O ATOM 750 CB GLN A 389 7.099 -0.292 15.003 1.00 44.05 C ATOM 751 CG GLN A 389 7.401 0.452 16.294 1.00 12.24 C ATOM 752 CD GLN A 389 7.025 -0.352 17.524 1.00 42.43 C ATOM 753 OE1 GLN A 389 7.661 -0.246 18.572 1.00 45.52 O ATOM 754 NE2 GLN A 389 5.959 -1.112 17.426 1.00 1.23 N ATOM 0 H GLN A 389 9.427 -0.083 14.257 1.00 63.32 H new ATOM 0 HA GLN A 389 8.023 -2.144 15.632 1.00 12.34 H new ATOM 0 HB2 GLN A 389 7.201 0.401 14.168 1.00 44.05 H new ATOM 0 HB3 GLN A 389 6.059 -0.618 15.022 1.00 44.05 H new ATOM 0 HG2 GLN A 389 8.463 0.693 16.331 1.00 12.24 H new ATOM 0 HG3 GLN A 389 6.859 1.398 16.301 1.00 12.24 H new ATOM 0 HE21 GLN A 389 5.457 -1.175 16.540 1.00 1.23 H new ATOM 0 HE22 GLN A 389 5.633 -1.640 18.236 1.00 1.23 H new ATOM 763 N SER A 390 7.812 -1.987 12.400 1.00 1.31 N ATOM 764 CA SER A 390 7.283 -2.617 11.230 1.00 53.14 C ATOM 765 C SER A 390 8.198 -3.705 10.659 1.00 23.22 C ATOM 766 O SER A 390 7.736 -4.580 9.927 1.00 11.55 O ATOM 767 CB SER A 390 6.993 -1.551 10.189 1.00 14.43 C ATOM 768 OG SER A 390 8.162 -0.792 9.909 1.00 24.32 O ATOM 0 H SER A 390 8.506 -1.263 12.212 1.00 1.31 H new ATOM 0 HA SER A 390 6.364 -3.129 11.515 1.00 53.14 H new ATOM 0 HB2 SER A 390 6.629 -2.018 9.274 1.00 14.43 H new ATOM 0 HB3 SER A 390 6.202 -0.892 10.547 1.00 14.43 H new ATOM 0 HG SER A 390 8.308 -0.140 10.626 1.00 24.32 H new ATOM 774 N ALA A 391 9.475 -3.659 11.025 1.00 55.12 N ATOM 775 CA ALA A 391 10.508 -4.561 10.481 1.00 74.13 C ATOM 776 C ALA A 391 10.112 -6.040 10.491 1.00 53.24 C ATOM 777 O ALA A 391 10.337 -6.753 9.516 1.00 31.23 O ATOM 778 CB ALA A 391 11.810 -4.371 11.222 1.00 22.54 C ATOM 0 H ALA A 391 9.834 -2.994 11.711 1.00 55.12 H new ATOM 0 HA ALA A 391 10.625 -4.284 9.433 1.00 74.13 H new ATOM 0 HB1 ALA A 391 12.564 -5.042 10.811 1.00 22.54 H new ATOM 0 HB2 ALA A 391 12.144 -3.339 11.112 1.00 22.54 H new ATOM 0 HB3 ALA A 391 11.663 -4.594 12.279 1.00 22.54 H new ATOM 784 N GLY A 392 9.504 -6.480 11.569 1.00 33.54 N ATOM 785 CA GLY A 392 9.154 -7.875 11.696 1.00 62.00 C ATOM 786 C GLY A 392 8.055 -8.313 10.769 1.00 12.23 C ATOM 787 O GLY A 392 8.146 -9.392 10.167 1.00 43.03 O ATOM 0 H GLY A 392 9.243 -5.897 12.364 1.00 33.54 H new ATOM 0 HA2 GLY A 392 10.040 -8.481 11.505 1.00 62.00 H new ATOM 0 HA3 GLY A 392 8.849 -8.071 12.724 1.00 62.00 H new ATOM 791 N TRP A 393 7.011 -7.510 10.634 1.00 2.30 N ATOM 792 CA TRP A 393 5.957 -7.895 9.740 1.00 50.33 C ATOM 793 C TRP A 393 6.375 -7.685 8.284 1.00 64.03 C ATOM 794 O TRP A 393 5.924 -8.410 7.385 1.00 51.10 O ATOM 795 CB TRP A 393 4.570 -7.303 10.096 1.00 43.51 C ATOM 796 CG TRP A 393 4.450 -5.816 10.073 1.00 0.44 C ATOM 797 CD1 TRP A 393 4.697 -4.959 11.091 1.00 51.11 C ATOM 798 CD2 TRP A 393 4.004 -5.025 8.980 1.00 12.44 C ATOM 799 NE1 TRP A 393 4.444 -3.664 10.687 1.00 54.00 N ATOM 800 CE2 TRP A 393 4.024 -3.683 9.392 1.00 4.02 C ATOM 801 CE3 TRP A 393 3.600 -5.327 7.695 1.00 34.24 C ATOM 802 CZ2 TRP A 393 3.651 -2.638 8.552 1.00 13.31 C ATOM 803 CZ3 TRP A 393 3.228 -4.294 6.856 1.00 35.41 C ATOM 804 CH2 TRP A 393 3.258 -2.965 7.287 1.00 4.04 C ATOM 0 H TRP A 393 6.881 -6.621 11.117 1.00 2.30 H new ATOM 0 HA TRP A 393 5.804 -8.966 9.875 1.00 50.33 H new ATOM 0 HB2 TRP A 393 3.836 -7.714 9.403 1.00 43.51 H new ATOM 0 HB3 TRP A 393 4.297 -7.651 11.092 1.00 43.51 H new ATOM 0 HD1 TRP A 393 5.041 -5.246 12.074 1.00 51.11 H new ATOM 0 HE1 TRP A 393 4.554 -2.830 11.264 1.00 54.00 H new ATOM 0 HE3 TRP A 393 3.575 -6.351 7.352 1.00 34.24 H new ATOM 0 HZ2 TRP A 393 3.672 -1.612 8.887 1.00 13.31 H new ATOM 0 HZ3 TRP A 393 2.908 -4.518 5.849 1.00 35.41 H new ATOM 0 HH2 TRP A 393 2.964 -2.181 6.605 1.00 4.04 H new ATOM 815 N LYS A 394 7.275 -6.705 8.058 1.00 32.51 N ATOM 816 CA LYS A 394 7.873 -6.509 6.747 1.00 31.02 C ATOM 817 C LYS A 394 8.654 -7.718 6.331 1.00 33.15 C ATOM 818 O LYS A 394 8.663 -8.072 5.158 1.00 42.12 O ATOM 819 CB LYS A 394 8.816 -5.334 6.736 1.00 35.12 C ATOM 820 CG LYS A 394 8.154 -4.026 6.930 1.00 33.32 C ATOM 821 CD LYS A 394 9.151 -2.922 6.835 1.00 64.20 C ATOM 822 CE LYS A 394 8.464 -1.618 6.953 1.00 34.32 C ATOM 823 NZ LYS A 394 9.396 -0.497 6.789 1.00 45.24 N ATOM 0 H LYS A 394 7.593 -6.048 8.770 1.00 32.51 H new ATOM 0 HA LYS A 394 7.049 -6.328 6.057 1.00 31.02 H new ATOM 0 HB2 LYS A 394 9.560 -5.472 7.520 1.00 35.12 H new ATOM 0 HB3 LYS A 394 9.352 -5.321 5.787 1.00 35.12 H new ATOM 0 HG2 LYS A 394 7.377 -3.889 6.178 1.00 33.32 H new ATOM 0 HG3 LYS A 394 7.664 -4.000 7.903 1.00 33.32 H new ATOM 0 HD2 LYS A 394 9.897 -3.024 7.624 1.00 64.20 H new ATOM 0 HD3 LYS A 394 9.682 -2.979 5.885 1.00 64.20 H new ATOM 0 HE2 LYS A 394 7.678 -1.551 6.200 1.00 34.32 H new ATOM 0 HE3 LYS A 394 7.979 -1.549 7.927 1.00 34.32 H new ATOM 0 HZ1 LYS A 394 8.878 0.401 6.878 1.00 45.24 H new ATOM 0 HZ2 LYS A 394 10.131 -0.547 7.523 1.00 45.24 H new ATOM 0 HZ3 LYS A 394 9.840 -0.549 5.850 1.00 45.24 H new ATOM 837 N ASN A 395 9.312 -8.356 7.304 1.00 45.33 N ATOM 838 CA ASN A 395 10.142 -9.533 7.035 1.00 23.50 C ATOM 839 C ASN A 395 9.334 -10.603 6.301 1.00 72.52 C ATOM 840 O ASN A 395 9.727 -11.088 5.231 1.00 74.14 O ATOM 841 CB ASN A 395 10.666 -10.112 8.356 1.00 40.22 C ATOM 842 CG ASN A 395 11.547 -11.336 8.163 1.00 44.32 C ATOM 843 OD1 ASN A 395 12.282 -11.448 7.183 1.00 75.23 O ATOM 844 ND2 ASN A 395 11.451 -12.270 9.067 1.00 70.30 N ATOM 0 H ASN A 395 9.286 -8.077 8.285 1.00 45.33 H new ATOM 0 HA ASN A 395 10.980 -9.228 6.408 1.00 23.50 H new ATOM 0 HB2 ASN A 395 11.232 -9.344 8.883 1.00 40.22 H new ATOM 0 HB3 ASN A 395 9.820 -10.377 8.991 1.00 40.22 H new ATOM 0 HD21 ASN A 395 11.996 -13.127 8.974 1.00 70.30 H new ATOM 0 HD22 ASN A 395 10.831 -12.144 9.867 1.00 70.30 H new ATOM 851 N SER A 396 8.193 -10.922 6.854 1.00 21.33 N ATOM 852 CA SER A 396 7.331 -11.943 6.322 1.00 22.53 C ATOM 853 C SER A 396 6.740 -11.546 4.949 1.00 14.33 C ATOM 854 O SER A 396 6.566 -12.402 4.061 1.00 1.21 O ATOM 855 CB SER A 396 6.246 -12.225 7.327 1.00 30.45 C ATOM 856 OG SER A 396 6.805 -12.565 8.586 1.00 73.33 O ATOM 0 H SER A 396 7.833 -10.474 7.697 1.00 21.33 H new ATOM 0 HA SER A 396 7.915 -12.847 6.148 1.00 22.53 H new ATOM 0 HB2 SER A 396 5.605 -11.350 7.433 1.00 30.45 H new ATOM 0 HB3 SER A 396 5.616 -13.040 6.971 1.00 30.45 H new ATOM 0 HG SER A 396 6.085 -12.743 9.226 1.00 73.33 H new ATOM 862 N ILE A 397 6.438 -10.263 4.772 1.00 41.12 N ATOM 863 CA ILE A 397 5.945 -9.777 3.489 1.00 30.31 C ATOM 864 C ILE A 397 7.028 -9.891 2.432 1.00 22.32 C ATOM 865 O ILE A 397 6.791 -10.442 1.353 1.00 4.22 O ATOM 866 CB ILE A 397 5.431 -8.303 3.563 1.00 70.03 C ATOM 867 CG1 ILE A 397 4.147 -8.222 4.381 1.00 23.02 C ATOM 868 CG2 ILE A 397 5.205 -7.713 2.161 1.00 31.45 C ATOM 869 CD1 ILE A 397 3.638 -6.824 4.580 1.00 65.31 C ATOM 0 H ILE A 397 6.525 -9.548 5.494 1.00 41.12 H new ATOM 0 HA ILE A 397 5.096 -10.405 3.218 1.00 30.31 H new ATOM 0 HB ILE A 397 6.202 -7.712 4.056 1.00 70.03 H new ATOM 0 HG12 ILE A 397 3.375 -8.812 3.886 1.00 23.02 H new ATOM 0 HG13 ILE A 397 4.320 -8.677 5.356 1.00 23.02 H new ATOM 0 HG21 ILE A 397 4.848 -6.687 2.251 1.00 31.45 H new ATOM 0 HG22 ILE A 397 6.143 -7.723 1.606 1.00 31.45 H new ATOM 0 HG23 ILE A 397 4.463 -8.310 1.630 1.00 31.45 H new ATOM 0 HD11 ILE A 397 2.722 -6.851 5.171 1.00 65.31 H new ATOM 0 HD12 ILE A 397 4.390 -6.234 5.103 1.00 65.31 H new ATOM 0 HD13 ILE A 397 3.431 -6.371 3.611 1.00 65.31 H new ATOM 881 N ARG A 398 8.222 -9.409 2.769 1.00 50.03 N ATOM 882 CA ARG A 398 9.326 -9.365 1.866 1.00 70.24 C ATOM 883 C ARG A 398 9.655 -10.769 1.322 1.00 55.44 C ATOM 884 O ARG A 398 9.978 -10.923 0.140 1.00 74.43 O ATOM 885 CB ARG A 398 10.516 -8.753 2.576 1.00 32.21 C ATOM 886 CG ARG A 398 11.321 -7.796 1.731 1.00 52.32 C ATOM 887 CD ARG A 398 11.908 -8.450 0.497 1.00 3.30 C ATOM 888 NE ARG A 398 12.661 -7.512 -0.339 1.00 22.24 N ATOM 889 CZ ARG A 398 13.130 -7.796 -1.563 1.00 24.14 C ATOM 890 NH1 ARG A 398 12.947 -9.007 -2.087 1.00 25.15 N ATOM 891 NH2 ARG A 398 13.781 -6.872 -2.254 1.00 73.04 N ATOM 0 H ARG A 398 8.434 -9.037 3.695 1.00 50.03 H new ATOM 0 HA ARG A 398 9.067 -8.747 1.006 1.00 70.24 H new ATOM 0 HB2 ARG A 398 10.163 -8.227 3.463 1.00 32.21 H new ATOM 0 HB3 ARG A 398 11.170 -9.554 2.919 1.00 32.21 H new ATOM 0 HG2 ARG A 398 10.685 -6.964 1.428 1.00 52.32 H new ATOM 0 HG3 ARG A 398 12.128 -7.378 2.333 1.00 52.32 H new ATOM 0 HD2 ARG A 398 12.564 -9.266 0.801 1.00 3.30 H new ATOM 0 HD3 ARG A 398 11.104 -8.890 -0.093 1.00 3.30 H new ATOM 0 HE ARG A 398 12.841 -6.580 0.035 1.00 22.24 H new ATOM 0 HH11 ARG A 398 12.449 -9.722 -1.557 1.00 25.15 H new ATOM 0 HH12 ARG A 398 13.305 -9.219 -3.018 1.00 25.15 H new ATOM 0 HH21 ARG A 398 13.926 -5.944 -1.855 1.00 73.04 H new ATOM 0 HH22 ARG A 398 14.138 -7.088 -3.185 1.00 73.04 H new ATOM 905 N HIS A 399 9.549 -11.780 2.175 1.00 14.04 N ATOM 906 CA HIS A 399 9.776 -13.155 1.733 1.00 40.02 C ATOM 907 C HIS A 399 8.719 -13.615 0.739 1.00 42.52 C ATOM 908 O HIS A 399 9.056 -14.139 -0.306 1.00 12.13 O ATOM 909 CB HIS A 399 9.925 -14.148 2.890 1.00 34.21 C ATOM 910 CG HIS A 399 11.245 -14.081 3.607 1.00 2.44 C ATOM 911 ND1 HIS A 399 12.198 -15.069 3.509 1.00 72.24 N ATOM 912 CD2 HIS A 399 11.758 -13.163 4.450 1.00 11.31 C ATOM 913 CE1 HIS A 399 13.229 -14.761 4.257 1.00 2.22 C ATOM 914 NE2 HIS A 399 12.990 -13.609 4.838 1.00 20.22 N ATOM 0 H HIS A 399 9.311 -11.680 3.162 1.00 14.04 H new ATOM 0 HA HIS A 399 10.736 -13.142 1.217 1.00 40.02 H new ATOM 0 HB2 HIS A 399 9.126 -13.969 3.610 1.00 34.21 H new ATOM 0 HB3 HIS A 399 9.787 -15.158 2.504 1.00 34.21 H new ATOM 0 HD2 HIS A 399 11.283 -12.244 4.761 1.00 11.31 H new ATOM 0 HE1 HIS A 399 14.124 -15.355 4.375 1.00 2.22 H new ATOM 0 HE2 HIS A 399 13.622 -13.125 5.476 1.00 20.22 H new ATOM 923 N ASN A 400 7.436 -13.374 1.049 1.00 21.04 N ATOM 924 CA ASN A 400 6.339 -13.761 0.131 1.00 74.31 C ATOM 925 C ASN A 400 6.434 -13.077 -1.217 1.00 13.11 C ATOM 926 O ASN A 400 6.042 -13.653 -2.239 1.00 50.11 O ATOM 927 CB ASN A 400 4.927 -13.580 0.727 1.00 40.31 C ATOM 928 CG ASN A 400 4.544 -14.674 1.710 1.00 74.42 C ATOM 929 OD1 ASN A 400 4.006 -15.704 1.314 1.00 11.43 O ATOM 930 ND2 ASN A 400 4.753 -14.444 2.968 1.00 53.12 N ATOM 0 H ASN A 400 7.130 -12.922 1.910 1.00 21.04 H new ATOM 0 HA ASN A 400 6.483 -14.831 -0.018 1.00 74.31 H new ATOM 0 HB2 ASN A 400 4.874 -12.614 1.230 1.00 40.31 H new ATOM 0 HB3 ASN A 400 4.198 -13.558 -0.083 1.00 40.31 H new ATOM 0 HD21 ASN A 400 4.468 -15.131 3.666 1.00 53.12 H new ATOM 0 HD22 ASN A 400 5.203 -13.576 3.260 1.00 53.12 H new ATOM 937 N LEU A 401 6.966 -11.862 -1.222 1.00 63.10 N ATOM 938 CA LEU A 401 7.130 -11.084 -2.448 1.00 13.22 C ATOM 939 C LEU A 401 7.980 -11.844 -3.469 1.00 52.25 C ATOM 940 O LEU A 401 7.635 -11.929 -4.640 1.00 45.42 O ATOM 941 CB LEU A 401 7.835 -9.755 -2.158 1.00 72.42 C ATOM 942 CG LEU A 401 7.191 -8.798 -1.160 1.00 41.50 C ATOM 943 CD1 LEU A 401 8.098 -7.629 -0.970 1.00 51.41 C ATOM 944 CD2 LEU A 401 5.839 -8.297 -1.644 1.00 71.43 C ATOM 0 H LEU A 401 7.296 -11.387 -0.381 1.00 63.10 H new ATOM 0 HA LEU A 401 6.132 -10.905 -2.847 1.00 13.22 H new ATOM 0 HB2 LEU A 401 8.839 -9.982 -1.800 1.00 72.42 H new ATOM 0 HB3 LEU A 401 7.946 -9.224 -3.104 1.00 72.42 H new ATOM 0 HG LEU A 401 7.035 -9.335 -0.225 1.00 41.50 H new ATOM 0 HD11 LEU A 401 7.652 -6.934 -0.258 1.00 51.41 H new ATOM 0 HD12 LEU A 401 9.059 -7.973 -0.588 1.00 51.41 H new ATOM 0 HD13 LEU A 401 8.247 -7.125 -1.925 1.00 51.41 H new ATOM 0 HD21 LEU A 401 5.416 -7.619 -0.903 1.00 71.43 H new ATOM 0 HD22 LEU A 401 5.964 -7.770 -2.590 1.00 71.43 H new ATOM 0 HD23 LEU A 401 5.167 -9.143 -1.786 1.00 71.43 H new ATOM 1257 N TRP A 421 6.801 -2.539 -7.748 1.00 73.14 N ATOM 1258 CA TRP A 421 6.459 -3.899 -7.610 1.00 10.31 C ATOM 1259 C TRP A 421 5.176 -4.172 -8.402 1.00 44.34 C ATOM 1260 O TRP A 421 4.182 -3.440 -8.252 1.00 14.24 O ATOM 1261 CB TRP A 421 6.204 -4.090 -6.093 1.00 23.11 C ATOM 1262 CG TRP A 421 6.437 -5.416 -5.569 1.00 2.12 C ATOM 1263 CD1 TRP A 421 7.530 -5.776 -4.877 1.00 21.32 C ATOM 1264 CD2 TRP A 421 5.585 -6.553 -5.643 1.00 60.45 C ATOM 1265 NE1 TRP A 421 7.446 -7.080 -4.521 1.00 51.20 N ATOM 1266 CE2 TRP A 421 6.243 -7.591 -4.986 1.00 3.22 C ATOM 1267 CE3 TRP A 421 4.333 -6.797 -6.206 1.00 13.43 C ATOM 1268 CZ2 TRP A 421 5.692 -8.865 -4.871 1.00 54.03 C ATOM 1269 CZ3 TRP A 421 3.785 -8.053 -6.088 1.00 71.12 C ATOM 1270 CH2 TRP A 421 4.463 -9.077 -5.426 1.00 74.31 C ATOM 0 HA TRP A 421 7.231 -4.574 -7.980 1.00 10.31 H new ATOM 0 HB2 TRP A 421 6.838 -3.390 -5.548 1.00 23.11 H new ATOM 0 HB3 TRP A 421 5.171 -3.815 -5.882 1.00 23.11 H new ATOM 0 HD1 TRP A 421 8.355 -5.121 -4.639 1.00 21.32 H new ATOM 0 HE1 TRP A 421 8.150 -7.600 -3.998 1.00 51.20 H new ATOM 0 HE3 TRP A 421 3.802 -6.013 -6.726 1.00 13.43 H new ATOM 0 HZ2 TRP A 421 6.219 -9.658 -4.360 1.00 54.03 H new ATOM 0 HZ3 TRP A 421 2.813 -8.250 -6.515 1.00 71.12 H new ATOM 0 HH2 TRP A 421 4.008 -10.054 -5.351 1.00 74.31 H new ATOM 1281 N VAL A 422 5.203 -5.187 -9.257 1.00 13.24 N ATOM 1282 CA VAL A 422 4.025 -5.586 -10.022 1.00 43.12 C ATOM 1283 C VAL A 422 3.898 -7.106 -10.040 1.00 33.14 C ATOM 1284 O VAL A 422 4.897 -7.829 -9.893 1.00 22.35 O ATOM 1285 CB VAL A 422 4.007 -5.039 -11.500 1.00 34.32 C ATOM 1286 CG1 VAL A 422 3.980 -3.518 -11.540 1.00 4.52 C ATOM 1287 CG2 VAL A 422 5.174 -5.573 -12.316 1.00 13.04 C ATOM 0 H VAL A 422 6.032 -5.752 -9.440 1.00 13.24 H new ATOM 0 HA VAL A 422 3.173 -5.136 -9.513 1.00 43.12 H new ATOM 0 HB VAL A 422 3.086 -5.404 -11.954 1.00 34.32 H new ATOM 0 HG11 VAL A 422 3.968 -3.181 -12.577 1.00 4.52 H new ATOM 0 HG12 VAL A 422 3.087 -3.156 -11.031 1.00 4.52 H new ATOM 0 HG13 VAL A 422 4.866 -3.125 -11.041 1.00 4.52 H new ATOM 0 HG21 VAL A 422 5.124 -5.172 -13.328 1.00 13.04 H new ATOM 0 HG22 VAL A 422 6.112 -5.269 -11.851 1.00 13.04 H new ATOM 0 HG23 VAL A 422 5.123 -6.661 -12.354 1.00 13.04 H new ATOM 1297 N ILE A 423 2.684 -7.583 -10.208 1.00 23.34 N ATOM 1298 CA ILE A 423 2.424 -9.007 -10.237 1.00 62.22 C ATOM 1299 C ILE A 423 2.587 -9.543 -11.652 1.00 44.31 C ATOM 1300 O ILE A 423 2.067 -8.964 -12.615 1.00 15.35 O ATOM 1301 CB ILE A 423 1.001 -9.346 -9.691 1.00 72.20 C ATOM 1302 CG1 ILE A 423 0.869 -8.860 -8.242 1.00 14.33 C ATOM 1303 CG2 ILE A 423 0.714 -10.851 -9.785 1.00 74.15 C ATOM 1304 CD1 ILE A 423 -0.474 -9.148 -7.601 1.00 4.21 C ATOM 0 H ILE A 423 1.855 -7.001 -10.328 1.00 23.34 H new ATOM 0 HA ILE A 423 3.152 -9.490 -9.585 1.00 62.22 H new ATOM 0 HB ILE A 423 0.264 -8.831 -10.307 1.00 72.20 H new ATOM 0 HG12 ILE A 423 1.651 -9.327 -7.643 1.00 14.33 H new ATOM 0 HG13 ILE A 423 1.047 -7.785 -8.215 1.00 14.33 H new ATOM 0 HG21 ILE A 423 -0.284 -11.056 -9.397 1.00 74.15 H new ATOM 0 HG22 ILE A 423 0.771 -11.168 -10.826 1.00 74.15 H new ATOM 0 HG23 ILE A 423 1.451 -11.399 -9.198 1.00 74.15 H new ATOM 0 HD11 ILE A 423 -0.478 -8.770 -6.579 1.00 4.21 H new ATOM 0 HD12 ILE A 423 -1.262 -8.658 -8.172 1.00 4.21 H new ATOM 0 HD13 ILE A 423 -0.649 -10.224 -7.591 1.00 4.21 H new