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 Single : A 342 ASN : amide:sc=0.000428 K(o=0.00043,f=0.95) USER MOD Single : A 348 SER OG : rot 180:sc= 0 USER MOD Single : A 349 TYR OH : rot 30:sc= -0.0238 USER MOD Single : A 350 SER OG : rot 180:sc= 0 USER MOD Single : A 355 LYS NZ :NH3+ -145:sc= 1.19 (180deg=0.149) USER MOD Single : A 358 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 359 SER OG : rot -55:sc= 1.28 USER MOD Single : A 360 THR OG1 : rot -46:sc= 0.249 USER MOD Single : A 365 MET CE :methyl -145:sc= -0.0527 (180deg=-0.209) USER MOD Single : A 368 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 371 TYR OH : rot 180:sc= -0.0954 USER MOD Single : A 372 ASN : amide:sc= 0.664 K(o=0.66,f=-0.014) USER MOD Single : A 376 SER OG : rot 82:sc= 0.876 USER MOD Single : A 377 ASN : amide:sc= 0.92 K(o=0.92,f=0) USER MOD Single : A 380 TYR OH : rot 180:sc= 0 USER MOD Single : A 383 ASN : amide:sc= -0.736 K(o=-0.74,f=-3!) USER MOD Single : A 385 THR OG1 : rot 180:sc= 0 USER MOD Single : A 386 SER OG : rot 180:sc= 0 USER MOD Single : A 387 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 389 GLN : amide:sc= -0.988 K(o=-0.99,f=-0.065) USER MOD Single : A 390 SER OG : rot 46:sc= -2.16! USER MOD Single : A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 395 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 396 SER OG : rot 180:sc= 0 USER MOD Single : A 399 HIS : no HD1:sc= -0.0136 X(o=-0.014,f=-0.016) USER MOD Single : A 400 ASN : amide:sc= 0.0284 X(o=0.028,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 342 -1.558 -15.419 10.250 1.00 54.50 N ATOM 2 CA ASN A 342 -1.002 -14.175 9.709 1.00 73.51 C ATOM 3 C ASN A 342 -1.189 -13.092 10.749 1.00 61.32 C ATOM 4 O ASN A 342 -2.132 -13.174 11.539 1.00 71.34 O ATOM 5 CB ASN A 342 -1.709 -13.783 8.398 1.00 34.02 C ATOM 6 CG ASN A 342 -1.581 -14.835 7.313 1.00 32.41 C ATOM 7 OD1 ASN A 342 -0.640 -14.826 6.539 1.00 31.04 O ATOM 8 ND2 ASN A 342 -2.531 -15.733 7.240 1.00 14.41 N ATOM 0 HA ASN A 342 0.056 -14.309 9.483 1.00 73.51 H new ATOM 0 HB2 ASN A 342 -2.765 -13.606 8.601 1.00 34.02 H new ATOM 0 HB3 ASN A 342 -1.293 -12.843 8.035 1.00 34.02 H new ATOM 0 HD21 ASN A 342 -2.497 -16.454 6.519 1.00 14.41 H new ATOM 0 HD22 ASN A 342 -3.305 -15.712 7.904 1.00 14.41 H new ATOM 17 N PRO A 343 -0.312 -12.048 10.775 1.00 1.14 N ATOM 18 CA PRO A 343 -0.356 -10.989 11.811 1.00 72.22 C ATOM 19 C PRO A 343 -1.688 -10.225 11.851 1.00 73.11 C ATOM 20 O PRO A 343 -2.077 -9.696 12.885 1.00 53.31 O ATOM 21 CB PRO A 343 0.802 -10.046 11.424 1.00 30.15 C ATOM 22 CG PRO A 343 1.092 -10.350 9.994 1.00 64.41 C ATOM 23 CD PRO A 343 0.801 -11.817 9.823 1.00 62.23 C ATOM 0 HA PRO A 343 -0.262 -11.415 12.810 1.00 72.22 H new ATOM 0 HB2 PRO A 343 0.520 -9.001 11.555 1.00 30.15 H new ATOM 0 HB3 PRO A 343 1.678 -10.220 12.049 1.00 30.15 H new ATOM 0 HG2 PRO A 343 0.470 -9.748 9.332 1.00 64.41 H new ATOM 0 HG3 PRO A 343 2.130 -10.125 9.749 1.00 64.41 H new ATOM 0 HD2 PRO A 343 0.513 -12.055 8.799 1.00 62.23 H new ATOM 0 HD3 PRO A 343 1.670 -12.431 10.060 1.00 62.23 H new ATOM 31 N TRP A 344 -2.366 -10.177 10.735 1.00 5.02 N ATOM 32 CA TRP A 344 -3.637 -9.483 10.638 1.00 41.43 C ATOM 33 C TRP A 344 -4.826 -10.436 10.808 1.00 31.40 C ATOM 34 O TRP A 344 -5.877 -10.033 11.295 1.00 50.33 O ATOM 35 CB TRP A 344 -3.730 -8.765 9.290 1.00 63.44 C ATOM 36 CG TRP A 344 -3.471 -9.667 8.125 1.00 23.14 C ATOM 37 CD1 TRP A 344 -4.337 -10.543 7.549 1.00 72.52 C ATOM 38 CD2 TRP A 344 -2.260 -9.768 7.385 1.00 61.11 C ATOM 39 NE1 TRP A 344 -3.721 -11.192 6.535 1.00 63.54 N ATOM 40 CE2 TRP A 344 -2.455 -10.726 6.404 1.00 4.34 C ATOM 41 CE3 TRP A 344 -1.040 -9.142 7.465 1.00 12.51 C ATOM 42 CZ2 TRP A 344 -1.470 -11.070 5.512 1.00 65.12 C ATOM 43 CZ3 TRP A 344 -0.052 -9.482 6.569 1.00 2.33 C ATOM 44 CH2 TRP A 344 -0.282 -10.434 5.606 1.00 61.35 C ATOM 0 H TRP A 344 -2.060 -10.614 9.866 1.00 5.02 H new ATOM 0 HA TRP A 344 -3.683 -8.756 11.449 1.00 41.43 H new ATOM 0 HB2 TRP A 344 -4.722 -8.325 9.187 1.00 63.44 H new ATOM 0 HB3 TRP A 344 -3.013 -7.944 9.272 1.00 63.44 H new ATOM 0 HD1 TRP A 344 -5.361 -10.697 7.855 1.00 72.52 H new ATOM 0 HE1 TRP A 344 -4.144 -11.919 5.958 1.00 63.54 H new ATOM 0 HE3 TRP A 344 -0.858 -8.393 8.221 1.00 12.51 H new ATOM 0 HZ2 TRP A 344 -1.639 -11.825 4.759 1.00 65.12 H new ATOM 0 HZ3 TRP A 344 0.911 -8.997 6.624 1.00 2.33 H new ATOM 0 HH2 TRP A 344 0.505 -10.680 4.908 1.00 61.35 H new ATOM 55 N GLY A 345 -4.662 -11.692 10.411 1.00 24.22 N ATOM 56 CA GLY A 345 -5.763 -12.615 10.472 1.00 15.53 C ATOM 57 C GLY A 345 -5.560 -13.847 9.611 1.00 30.11 C ATOM 58 O GLY A 345 -4.446 -14.381 9.531 1.00 25.53 O ATOM 0 H GLY A 345 -3.790 -12.080 10.051 1.00 24.22 H new ATOM 0 HA2 GLY A 345 -5.913 -12.924 11.507 1.00 15.53 H new ATOM 0 HA3 GLY A 345 -6.673 -12.105 10.156 1.00 15.53 H new ATOM 62 N ALA A 346 -6.623 -14.268 8.948 1.00 64.05 N ATOM 63 CA ALA A 346 -6.642 -15.495 8.167 1.00 5.11 C ATOM 64 C ALA A 346 -6.298 -15.277 6.697 1.00 50.23 C ATOM 65 O ALA A 346 -5.850 -16.217 6.018 1.00 2.24 O ATOM 66 CB ALA A 346 -7.989 -16.169 8.288 1.00 44.12 C ATOM 0 H ALA A 346 -7.509 -13.762 8.936 1.00 64.05 H new ATOM 0 HA ALA A 346 -5.865 -16.138 8.580 1.00 5.11 H new ATOM 0 HB1 ALA A 346 -7.991 -17.086 7.699 1.00 44.12 H new ATOM 0 HB2 ALA A 346 -8.183 -16.408 9.333 1.00 44.12 H new ATOM 0 HB3 ALA A 346 -8.766 -15.499 7.919 1.00 44.12 H new ATOM 72 N GLU A 347 -6.522 -14.069 6.189 1.00 42.12 N ATOM 73 CA GLU A 347 -6.165 -13.759 4.805 1.00 43.15 C ATOM 74 C GLU A 347 -4.663 -13.865 4.647 1.00 54.24 C ATOM 75 O GLU A 347 -3.936 -13.676 5.604 1.00 0.14 O ATOM 76 CB GLU A 347 -6.668 -12.370 4.393 1.00 42.32 C ATOM 77 CG GLU A 347 -8.186 -12.253 4.381 1.00 61.25 C ATOM 78 CD GLU A 347 -8.676 -10.892 3.948 1.00 52.13 C ATOM 79 OE1 GLU A 347 -8.772 -10.645 2.731 1.00 63.44 O ATOM 80 OE2 GLU A 347 -9.001 -10.057 4.816 1.00 41.04 O ATOM 0 H GLU A 347 -6.943 -13.297 6.705 1.00 42.12 H new ATOM 0 HA GLU A 347 -6.649 -14.478 4.144 1.00 43.15 H new ATOM 0 HB2 GLU A 347 -6.260 -11.627 5.078 1.00 42.32 H new ATOM 0 HB3 GLU A 347 -6.285 -12.133 3.400 1.00 42.32 H new ATOM 0 HG2 GLU A 347 -8.597 -13.009 3.712 1.00 61.25 H new ATOM 0 HG3 GLU A 347 -8.568 -12.469 5.379 1.00 61.25 H new ATOM 87 N SER A 348 -4.194 -14.158 3.478 1.00 1.02 N ATOM 88 CA SER A 348 -2.791 -14.362 3.303 1.00 31.24 C ATOM 89 C SER A 348 -2.139 -13.069 2.894 1.00 42.35 C ATOM 90 O SER A 348 -2.841 -12.104 2.534 1.00 73.31 O ATOM 91 CB SER A 348 -2.546 -15.453 2.265 1.00 23.14 C ATOM 92 OG SER A 348 -3.132 -16.692 2.676 1.00 64.11 O ATOM 0 H SER A 348 -4.757 -14.261 2.634 1.00 1.02 H new ATOM 0 HA SER A 348 -2.350 -14.688 4.245 1.00 31.24 H new ATOM 0 HB2 SER A 348 -2.965 -15.149 1.306 1.00 23.14 H new ATOM 0 HB3 SER A 348 -1.474 -15.585 2.117 1.00 23.14 H new ATOM 0 HG SER A 348 -2.964 -17.376 1.994 1.00 64.11 H new ATOM 98 N TYR A 349 -0.814 -13.031 2.970 1.00 3.24 N ATOM 99 CA TYR A 349 -0.052 -11.867 2.570 1.00 72.45 C ATOM 100 C TYR A 349 -0.396 -11.527 1.179 1.00 14.43 C ATOM 101 O TYR A 349 -0.916 -10.469 0.928 1.00 0.44 O ATOM 102 CB TYR A 349 1.464 -12.101 2.686 1.00 2.55 C ATOM 103 CG TYR A 349 1.988 -12.263 4.089 1.00 5.41 C ATOM 104 CD1 TYR A 349 1.709 -13.394 4.837 1.00 42.45 C ATOM 105 CD2 TYR A 349 2.780 -11.280 4.664 1.00 3.41 C ATOM 106 CE1 TYR A 349 2.200 -13.540 6.112 1.00 24.45 C ATOM 107 CE2 TYR A 349 3.271 -11.422 5.941 1.00 53.35 C ATOM 108 CZ TYR A 349 2.975 -12.556 6.658 1.00 3.22 C ATOM 109 OH TYR A 349 3.468 -12.714 7.930 1.00 10.40 O ATOM 0 H TYR A 349 -0.245 -13.806 3.310 1.00 3.24 H new ATOM 0 HA TYR A 349 -0.307 -11.046 3.241 1.00 72.45 H new ATOM 0 HB2 TYR A 349 1.721 -12.993 2.115 1.00 2.55 H new ATOM 0 HB3 TYR A 349 1.981 -11.263 2.218 1.00 2.55 H new ATOM 0 HD1 TYR A 349 1.095 -14.174 4.411 1.00 42.45 H new ATOM 0 HD2 TYR A 349 3.015 -10.389 4.100 1.00 3.41 H new ATOM 0 HE1 TYR A 349 1.974 -14.430 6.681 1.00 24.45 H new ATOM 0 HE2 TYR A 349 3.885 -10.648 6.377 1.00 53.35 H new ATOM 0 HH TYR A 349 3.603 -13.667 8.112 1.00 10.40 H new ATOM 119 N SER A 350 -0.161 -12.459 0.288 1.00 33.34 N ATOM 120 CA SER A 350 -0.441 -12.278 -1.124 1.00 53.13 C ATOM 121 C SER A 350 -1.906 -11.819 -1.389 1.00 31.24 C ATOM 122 O SER A 350 -2.163 -11.097 -2.357 1.00 62.10 O ATOM 123 CB SER A 350 -0.130 -13.557 -1.860 1.00 13.20 C ATOM 124 OG SER A 350 1.194 -13.990 -1.569 1.00 23.40 O ATOM 0 H SER A 350 0.232 -13.371 0.519 1.00 33.34 H new ATOM 0 HA SER A 350 0.198 -11.477 -1.496 1.00 53.13 H new ATOM 0 HB2 SER A 350 -0.843 -14.330 -1.574 1.00 13.20 H new ATOM 0 HB3 SER A 350 -0.241 -13.402 -2.933 1.00 13.20 H new ATOM 0 HG SER A 350 1.380 -14.822 -2.053 1.00 23.40 H new ATOM 130 N ASP A 351 -2.854 -12.222 -0.517 1.00 13.54 N ATOM 131 CA ASP A 351 -4.246 -11.749 -0.639 1.00 34.41 C ATOM 132 C ASP A 351 -4.316 -10.268 -0.406 1.00 74.22 C ATOM 133 O ASP A 351 -4.844 -9.523 -1.231 1.00 15.44 O ATOM 134 CB ASP A 351 -5.205 -12.440 0.343 1.00 15.04 C ATOM 135 CG ASP A 351 -5.520 -13.857 -0.003 1.00 25.44 C ATOM 136 OD1 ASP A 351 -6.485 -14.089 -0.759 1.00 33.21 O ATOM 137 OD2 ASP A 351 -4.845 -14.755 0.488 1.00 2.13 O ATOM 0 H ASP A 351 -2.686 -12.859 0.262 1.00 13.54 H new ATOM 0 HA ASP A 351 -4.561 -11.999 -1.652 1.00 34.41 H new ATOM 0 HB2 ASP A 351 -4.768 -12.410 1.341 1.00 15.04 H new ATOM 0 HB3 ASP A 351 -6.135 -11.873 0.385 1.00 15.04 H new ATOM 142 N LEU A 352 -3.770 -9.827 0.709 1.00 11.12 N ATOM 143 CA LEU A 352 -3.784 -8.421 1.027 1.00 1.43 C ATOM 144 C LEU A 352 -2.837 -7.611 0.133 1.00 14.32 C ATOM 145 O LEU A 352 -3.143 -6.474 -0.229 1.00 70.12 O ATOM 146 CB LEU A 352 -3.466 -8.175 2.482 1.00 14.33 C ATOM 147 CG LEU A 352 -4.412 -8.755 3.529 1.00 53.30 C ATOM 148 CD1 LEU A 352 -4.058 -8.205 4.877 1.00 44.45 C ATOM 149 CD2 LEU A 352 -5.848 -8.452 3.211 1.00 52.30 C ATOM 0 H LEU A 352 -3.315 -10.420 1.403 1.00 11.12 H new ATOM 0 HA LEU A 352 -4.800 -8.076 0.833 1.00 1.43 H new ATOM 0 HB2 LEU A 352 -2.469 -8.570 2.677 1.00 14.33 H new ATOM 0 HB3 LEU A 352 -3.418 -7.097 2.636 1.00 14.33 H new ATOM 0 HG LEU A 352 -4.298 -9.839 3.527 1.00 53.30 H new ATOM 0 HD11 LEU A 352 -4.733 -8.618 5.627 1.00 44.45 H new ATOM 0 HD12 LEU A 352 -3.032 -8.477 5.123 1.00 44.45 H new ATOM 0 HD13 LEU A 352 -4.152 -7.119 4.863 1.00 44.45 H new ATOM 0 HD21 LEU A 352 -6.490 -8.882 3.980 1.00 52.30 H new ATOM 0 HD22 LEU A 352 -5.994 -7.372 3.179 1.00 52.30 H new ATOM 0 HD23 LEU A 352 -6.105 -8.882 2.243 1.00 52.30 H new ATOM 161 N ILE A 353 -1.706 -8.199 -0.222 1.00 65.24 N ATOM 162 CA ILE A 353 -0.727 -7.548 -1.086 1.00 40.42 C ATOM 163 C ILE A 353 -1.355 -7.236 -2.438 1.00 53.44 C ATOM 164 O ILE A 353 -1.143 -6.160 -3.000 1.00 53.10 O ATOM 165 CB ILE A 353 0.535 -8.431 -1.288 1.00 41.23 C ATOM 166 CG1 ILE A 353 1.242 -8.688 0.043 1.00 34.23 C ATOM 167 CG2 ILE A 353 1.489 -7.770 -2.249 1.00 10.11 C ATOM 168 CD1 ILE A 353 2.366 -9.699 -0.049 1.00 73.44 C ATOM 0 H ILE A 353 -1.439 -9.137 0.078 1.00 65.24 H new ATOM 0 HA ILE A 353 -0.417 -6.623 -0.600 1.00 40.42 H new ATOM 0 HB ILE A 353 0.212 -9.387 -1.701 1.00 41.23 H new ATOM 0 HG12 ILE A 353 1.642 -7.747 0.419 1.00 34.23 H new ATOM 0 HG13 ILE A 353 0.510 -9.037 0.771 1.00 34.23 H new ATOM 0 HG21 ILE A 353 2.368 -8.401 -2.380 1.00 10.11 H new ATOM 0 HG22 ILE A 353 0.997 -7.629 -3.211 1.00 10.11 H new ATOM 0 HG23 ILE A 353 1.793 -6.802 -1.852 1.00 10.11 H new ATOM 0 HD11 ILE A 353 2.820 -9.829 0.933 1.00 73.44 H new ATOM 0 HD12 ILE A 353 1.969 -10.654 -0.395 1.00 73.44 H new ATOM 0 HD13 ILE A 353 3.119 -9.343 -0.752 1.00 73.44 H new ATOM 180 N ALA A 354 -2.149 -8.170 -2.948 1.00 41.52 N ATOM 181 CA ALA A 354 -2.853 -7.957 -4.198 1.00 51.41 C ATOM 182 C ALA A 354 -3.796 -6.774 -4.102 1.00 51.41 C ATOM 183 O ALA A 354 -3.936 -6.034 -5.043 1.00 22.43 O ATOM 184 CB ALA A 354 -3.596 -9.200 -4.656 1.00 32.11 C ATOM 0 H ALA A 354 -2.318 -9.077 -2.514 1.00 41.52 H new ATOM 0 HA ALA A 354 -2.097 -7.734 -4.951 1.00 51.41 H new ATOM 0 HB1 ALA A 354 -4.108 -8.992 -5.596 1.00 32.11 H new ATOM 0 HB2 ALA A 354 -2.887 -10.015 -4.801 1.00 32.11 H new ATOM 0 HB3 ALA A 354 -4.327 -9.486 -3.900 1.00 32.11 H new ATOM 190 N LYS A 355 -4.414 -6.582 -2.941 1.00 23.01 N ATOM 191 CA LYS A 355 -5.322 -5.452 -2.745 1.00 65.45 C ATOM 192 C LYS A 355 -4.535 -4.150 -2.777 1.00 61.53 C ATOM 193 O LYS A 355 -5.016 -3.134 -3.289 1.00 20.23 O ATOM 194 CB LYS A 355 -6.067 -5.562 -1.428 1.00 14.35 C ATOM 195 CG LYS A 355 -6.836 -6.806 -1.252 1.00 13.34 C ATOM 196 CD LYS A 355 -7.513 -6.798 0.081 1.00 64.30 C ATOM 197 CE LYS A 355 -8.043 -8.140 0.365 1.00 4.42 C ATOM 198 NZ LYS A 355 -8.726 -8.224 1.672 1.00 61.31 N ATOM 0 H LYS A 355 -4.306 -7.187 -2.127 1.00 23.01 H new ATOM 0 HA LYS A 355 -6.054 -5.464 -3.552 1.00 65.45 H new ATOM 0 HB2 LYS A 355 -5.348 -5.478 -0.613 1.00 14.35 H new ATOM 0 HB3 LYS A 355 -6.748 -4.716 -1.341 1.00 14.35 H new ATOM 0 HG2 LYS A 355 -7.577 -6.902 -2.046 1.00 13.34 H new ATOM 0 HG3 LYS A 355 -6.173 -7.668 -1.329 1.00 13.34 H new ATOM 0 HD2 LYS A 355 -6.808 -6.501 0.858 1.00 64.30 H new ATOM 0 HD3 LYS A 355 -8.321 -6.067 0.087 1.00 64.30 H new ATOM 0 HE2 LYS A 355 -8.741 -8.424 -0.423 1.00 4.42 H new ATOM 0 HE3 LYS A 355 -7.225 -8.860 0.341 1.00 4.42 H new ATOM 0 HZ1 LYS A 355 -8.557 -9.160 2.092 1.00 61.31 H new ATOM 0 HZ2 LYS A 355 -8.354 -7.488 2.306 1.00 61.31 H new ATOM 0 HZ3 LYS A 355 -9.748 -8.083 1.539 1.00 61.31 H new ATOM 212 N ALA A 356 -3.321 -4.188 -2.220 1.00 25.33 N ATOM 213 CA ALA A 356 -2.416 -3.047 -2.274 1.00 32.04 C ATOM 214 C ALA A 356 -2.105 -2.734 -3.724 1.00 44.33 C ATOM 215 O ALA A 356 -2.181 -1.587 -4.153 1.00 44.35 O ATOM 216 CB ALA A 356 -1.135 -3.315 -1.487 1.00 70.12 C ATOM 0 H ALA A 356 -2.946 -4.999 -1.727 1.00 25.33 H new ATOM 0 HA ALA A 356 -2.900 -2.187 -1.811 1.00 32.04 H new ATOM 0 HB1 ALA A 356 -0.482 -2.444 -1.548 1.00 70.12 H new ATOM 0 HB2 ALA A 356 -1.383 -3.511 -0.444 1.00 70.12 H new ATOM 0 HB3 ALA A 356 -0.624 -4.182 -1.907 1.00 70.12 H new ATOM 222 N LEU A 357 -1.783 -3.768 -4.477 1.00 72.02 N ATOM 223 CA LEU A 357 -1.573 -3.661 -5.918 1.00 3.44 C ATOM 224 C LEU A 357 -2.789 -3.067 -6.596 1.00 62.02 C ATOM 225 O LEU A 357 -2.673 -2.150 -7.383 1.00 10.53 O ATOM 226 CB LEU A 357 -1.246 -5.043 -6.524 1.00 50.04 C ATOM 227 CG LEU A 357 0.227 -5.461 -6.604 1.00 60.21 C ATOM 228 CD1 LEU A 357 0.917 -4.698 -7.718 1.00 25.42 C ATOM 229 CD2 LEU A 357 0.945 -5.226 -5.287 1.00 23.34 C ATOM 0 H LEU A 357 -1.658 -4.712 -4.111 1.00 72.02 H new ATOM 0 HA LEU A 357 -0.725 -2.997 -6.087 1.00 3.44 H new ATOM 0 HB2 LEU A 357 -1.776 -5.797 -5.943 1.00 50.04 H new ATOM 0 HB3 LEU A 357 -1.657 -5.071 -7.533 1.00 50.04 H new ATOM 0 HG LEU A 357 0.265 -6.529 -6.816 1.00 60.21 H new ATOM 0 HD11 LEU A 357 1.963 -4.998 -7.771 1.00 25.42 H new ATOM 0 HD12 LEU A 357 0.428 -4.918 -8.667 1.00 25.42 H new ATOM 0 HD13 LEU A 357 0.856 -3.628 -7.518 1.00 25.42 H new ATOM 0 HD21 LEU A 357 1.987 -5.534 -5.380 1.00 23.34 H new ATOM 0 HD22 LEU A 357 0.901 -4.167 -5.032 1.00 23.34 H new ATOM 0 HD23 LEU A 357 0.464 -5.808 -4.501 1.00 23.34 H new ATOM 241 N LYS A 358 -3.955 -3.562 -6.233 1.00 25.45 N ATOM 242 CA LYS A 358 -5.210 -3.145 -6.817 1.00 55.44 C ATOM 243 C LYS A 358 -5.607 -1.685 -6.509 1.00 44.03 C ATOM 244 O LYS A 358 -6.603 -1.189 -7.031 1.00 34.45 O ATOM 245 CB LYS A 358 -6.319 -4.126 -6.459 1.00 64.40 C ATOM 246 CG LYS A 358 -6.083 -5.510 -7.023 1.00 11.20 C ATOM 247 CD LYS A 358 -7.165 -6.489 -6.637 1.00 25.44 C ATOM 248 CE LYS A 358 -6.827 -7.869 -7.165 1.00 72.15 C ATOM 249 NZ LYS A 358 -7.863 -8.862 -6.843 1.00 33.40 N ATOM 0 H LYS A 358 -4.057 -4.277 -5.512 1.00 25.45 H new ATOM 0 HA LYS A 358 -5.059 -3.162 -7.896 1.00 55.44 H new ATOM 0 HB2 LYS A 358 -6.404 -4.191 -5.374 1.00 64.40 H new ATOM 0 HB3 LYS A 358 -7.270 -3.744 -6.831 1.00 64.40 H new ATOM 0 HG2 LYS A 358 -6.024 -5.450 -8.110 1.00 11.20 H new ATOM 0 HG3 LYS A 358 -5.120 -5.882 -6.672 1.00 11.20 H new ATOM 0 HD2 LYS A 358 -7.268 -6.521 -5.552 1.00 25.44 H new ATOM 0 HD3 LYS A 358 -8.124 -6.161 -7.039 1.00 25.44 H new ATOM 0 HE2 LYS A 358 -6.698 -7.820 -8.246 1.00 72.15 H new ATOM 0 HE3 LYS A 358 -5.875 -8.192 -6.745 1.00 72.15 H new ATOM 0 HZ1 LYS A 358 -7.586 -9.789 -7.225 1.00 33.40 H new ATOM 0 HZ2 LYS A 358 -7.969 -8.931 -5.811 1.00 33.40 H new ATOM 0 HZ3 LYS A 358 -8.767 -8.570 -7.265 1.00 33.40 H new ATOM 263 N SER A 359 -4.844 -1.001 -5.668 1.00 13.24 N ATOM 264 CA SER A 359 -5.138 0.394 -5.397 1.00 14.04 C ATOM 265 C SER A 359 -4.399 1.320 -6.391 1.00 63.01 C ATOM 266 O SER A 359 -4.524 2.552 -6.330 1.00 33.11 O ATOM 267 CB SER A 359 -4.830 0.763 -3.929 1.00 23.22 C ATOM 268 OG SER A 359 -3.452 0.617 -3.601 1.00 32.41 O ATOM 0 H SER A 359 -4.036 -1.380 -5.173 1.00 13.24 H new ATOM 0 HA SER A 359 -6.208 0.544 -5.544 1.00 14.04 H new ATOM 0 HB2 SER A 359 -5.135 1.793 -3.746 1.00 23.22 H new ATOM 0 HB3 SER A 359 -5.425 0.133 -3.268 1.00 23.22 H new ATOM 0 HG SER A 359 -3.158 -0.292 -3.820 1.00 32.41 H new ATOM 274 N THR A 360 -3.642 0.710 -7.299 1.00 55.11 N ATOM 275 CA THR A 360 -2.897 1.430 -8.321 1.00 62.10 C ATOM 276 C THR A 360 -2.485 0.407 -9.406 1.00 34.33 C ATOM 277 O THR A 360 -1.467 0.547 -10.083 1.00 23.24 O ATOM 278 CB THR A 360 -1.636 2.101 -7.676 1.00 2.32 C ATOM 279 OG1 THR A 360 -0.956 2.956 -8.612 1.00 14.40 O ATOM 280 CG2 THR A 360 -0.668 1.053 -7.173 1.00 74.10 C ATOM 0 H THR A 360 -3.529 -0.303 -7.345 1.00 55.11 H new ATOM 0 HA THR A 360 -3.503 2.219 -8.768 1.00 62.10 H new ATOM 0 HB THR A 360 -1.989 2.704 -6.840 1.00 2.32 H new ATOM 0 HG1 THR A 360 -0.857 2.490 -9.469 1.00 14.40 H new ATOM 0 HG21 THR A 360 0.199 1.542 -6.729 1.00 74.10 H new ATOM 0 HG22 THR A 360 -1.159 0.434 -6.422 1.00 74.10 H new ATOM 0 HG23 THR A 360 -0.346 0.426 -8.005 1.00 74.10 H new ATOM 288 N PHE A 361 -3.367 -0.566 -9.627 1.00 5.25 N ATOM 289 CA PHE A 361 -3.127 -1.720 -10.522 1.00 71.35 C ATOM 290 C PHE A 361 -3.001 -1.233 -11.952 1.00 51.22 C ATOM 291 O PHE A 361 -2.518 -1.942 -12.836 1.00 71.22 O ATOM 292 CB PHE A 361 -4.299 -2.692 -10.420 1.00 34.21 C ATOM 293 CG PHE A 361 -3.935 -4.156 -10.583 1.00 71.12 C ATOM 294 CD1 PHE A 361 -3.506 -4.891 -9.481 1.00 1.41 C ATOM 295 CD2 PHE A 361 -4.032 -4.795 -11.806 1.00 3.43 C ATOM 296 CE1 PHE A 361 -3.185 -6.226 -9.587 1.00 0.33 C ATOM 297 CE2 PHE A 361 -3.714 -6.141 -11.925 1.00 12.04 C ATOM 298 CZ PHE A 361 -3.289 -6.857 -10.812 1.00 5.23 C ATOM 0 H PHE A 361 -4.287 -0.584 -9.187 1.00 5.25 H new ATOM 0 HA PHE A 361 -2.207 -2.224 -10.227 1.00 71.35 H new ATOM 0 HB2 PHE A 361 -4.779 -2.558 -9.450 1.00 34.21 H new ATOM 0 HB3 PHE A 361 -5.036 -2.430 -11.179 1.00 34.21 H new ATOM 0 HD1 PHE A 361 -3.423 -4.403 -8.521 1.00 1.41 H new ATOM 0 HD2 PHE A 361 -4.358 -4.242 -12.675 1.00 3.43 H new ATOM 0 HE1 PHE A 361 -2.854 -6.776 -8.719 1.00 0.33 H new ATOM 0 HE2 PHE A 361 -3.797 -6.632 -12.883 1.00 12.04 H new ATOM 0 HZ PHE A 361 -3.041 -7.904 -10.904 1.00 5.23 H new ATOM 308 N ASP A 362 -3.439 0.000 -12.153 1.00 15.14 N ATOM 309 CA ASP A 362 -3.402 0.676 -13.443 1.00 64.30 C ATOM 310 C ASP A 362 -1.944 0.996 -13.820 1.00 32.34 C ATOM 311 O ASP A 362 -1.631 1.321 -14.967 1.00 64.35 O ATOM 312 CB ASP A 362 -4.223 1.970 -13.330 1.00 54.44 C ATOM 313 CG ASP A 362 -4.365 2.721 -14.627 1.00 24.44 C ATOM 314 OD1 ASP A 362 -5.201 2.309 -15.470 1.00 24.32 O ATOM 315 OD2 ASP A 362 -3.693 3.761 -14.813 1.00 15.24 O ATOM 0 H ASP A 362 -3.839 0.572 -11.409 1.00 15.14 H new ATOM 0 HA ASP A 362 -3.823 0.038 -14.220 1.00 64.30 H new ATOM 0 HB2 ASP A 362 -5.216 1.726 -12.953 1.00 54.44 H new ATOM 0 HB3 ASP A 362 -3.754 2.623 -12.594 1.00 54.44 H new ATOM 320 N GLY A 363 -1.067 0.851 -12.846 1.00 64.14 N ATOM 321 CA GLY A 363 0.339 1.032 -13.037 1.00 61.03 C ATOM 322 C GLY A 363 1.096 -0.071 -12.327 1.00 70.24 C ATOM 323 O GLY A 363 1.151 -1.200 -12.813 1.00 2.51 O ATOM 0 H GLY A 363 -1.325 0.601 -11.891 1.00 64.14 H new ATOM 0 HA2 GLY A 363 0.576 1.022 -14.101 1.00 61.03 H new ATOM 0 HA3 GLY A 363 0.646 2.004 -12.651 1.00 61.03 H new ATOM 327 N ARG A 364 1.654 0.243 -11.179 1.00 12.15 N ATOM 328 CA ARG A 364 2.372 -0.720 -10.364 1.00 22.51 C ATOM 329 C ARG A 364 2.458 -0.217 -8.942 1.00 71.51 C ATOM 330 O ARG A 364 2.239 0.974 -8.700 1.00 74.15 O ATOM 331 CB ARG A 364 3.772 -1.104 -10.928 1.00 51.41 C ATOM 332 CG ARG A 364 4.806 0.006 -11.163 1.00 21.11 C ATOM 333 CD ARG A 364 4.473 0.928 -12.320 1.00 43.51 C ATOM 334 NE ARG A 364 5.608 1.798 -12.679 1.00 72.34 N ATOM 335 CZ ARG A 364 5.536 3.108 -12.932 1.00 24.13 C ATOM 336 NH1 ARG A 364 4.430 3.789 -12.648 1.00 52.42 N ATOM 337 NH2 ARG A 364 6.596 3.743 -13.422 1.00 63.43 N ATOM 0 H ARG A 364 1.624 1.181 -10.779 1.00 12.15 H new ATOM 0 HA ARG A 364 1.801 -1.648 -10.386 1.00 22.51 H new ATOM 0 HB2 ARG A 364 4.215 -1.828 -10.245 1.00 51.41 H new ATOM 0 HB3 ARG A 364 3.616 -1.616 -11.878 1.00 51.41 H new ATOM 0 HG2 ARG A 364 4.898 0.600 -10.254 1.00 21.11 H new ATOM 0 HG3 ARG A 364 5.779 -0.451 -11.345 1.00 21.11 H new ATOM 0 HD2 ARG A 364 4.185 0.333 -13.186 1.00 43.51 H new ATOM 0 HD3 ARG A 364 3.613 1.544 -12.056 1.00 43.51 H new ATOM 0 HE ARG A 364 6.528 1.362 -12.739 1.00 72.34 H new ATOM 0 HH11 ARG A 364 3.629 3.312 -12.234 1.00 52.42 H new ATOM 0 HH12 ARG A 364 4.382 4.789 -12.844 1.00 52.42 H new ATOM 0 HH21 ARG A 364 7.459 3.230 -13.603 1.00 63.43 H new ATOM 0 HH22 ARG A 364 6.546 4.743 -13.617 1.00 63.43 H new ATOM 351 N MET A 365 2.784 -1.080 -8.010 1.00 64.30 N ATOM 352 CA MET A 365 2.801 -0.681 -6.614 1.00 43.44 C ATOM 353 C MET A 365 4.197 -0.652 -6.126 1.00 21.43 C ATOM 354 O MET A 365 4.987 -1.570 -6.408 1.00 32.11 O ATOM 355 CB MET A 365 2.039 -1.678 -5.762 1.00 53.14 C ATOM 356 CG MET A 365 0.978 -1.084 -4.858 1.00 1.35 C ATOM 357 SD MET A 365 1.616 0.063 -3.642 1.00 53.12 S ATOM 358 CE MET A 365 0.099 0.519 -2.806 1.00 5.33 C ATOM 0 H MET A 365 3.039 -2.052 -8.184 1.00 64.30 H new ATOM 0 HA MET A 365 2.338 0.303 -6.539 1.00 43.44 H new ATOM 0 HB2 MET A 365 1.565 -2.406 -6.421 1.00 53.14 H new ATOM 0 HB3 MET A 365 2.753 -2.224 -5.146 1.00 53.14 H new ATOM 0 HG2 MET A 365 0.237 -0.572 -5.472 1.00 1.35 H new ATOM 0 HG3 MET A 365 0.460 -1.893 -4.343 1.00 1.35 H new ATOM 0 HE1 MET A 365 0.149 1.566 -2.506 1.00 5.33 H new ATOM 0 HE2 MET A 365 -0.745 0.375 -3.480 1.00 5.33 H new ATOM 0 HE3 MET A 365 -0.032 -0.106 -1.923 1.00 5.33 H new ATOM 368 N ARG A 366 4.524 0.373 -5.416 1.00 53.42 N ATOM 369 CA ARG A 366 5.796 0.444 -4.812 1.00 61.25 C ATOM 370 C ARG A 366 5.826 -0.358 -3.574 1.00 44.31 C ATOM 371 O ARG A 366 4.866 -0.375 -2.809 1.00 52.01 O ATOM 372 CB ARG A 366 6.221 1.821 -4.547 1.00 31.13 C ATOM 373 CG ARG A 366 6.468 2.572 -5.807 1.00 43.31 C ATOM 374 CD ARG A 366 6.974 3.890 -5.485 1.00 1.31 C ATOM 375 NE ARG A 366 7.150 4.712 -6.675 1.00 25.41 N ATOM 376 CZ ARG A 366 8.013 5.723 -6.778 1.00 11.14 C ATOM 377 NH1 ARG A 366 8.804 6.038 -5.752 1.00 1.31 N ATOM 378 NH2 ARG A 366 8.088 6.409 -7.914 1.00 75.15 N ATOM 0 H ARG A 366 3.918 1.175 -5.243 1.00 53.42 H new ATOM 0 HA ARG A 366 6.508 0.028 -5.524 1.00 61.25 H new ATOM 0 HB2 ARG A 366 5.456 2.332 -3.963 1.00 31.13 H new ATOM 0 HB3 ARG A 366 7.129 1.812 -3.944 1.00 31.13 H new ATOM 0 HG2 ARG A 366 7.185 2.036 -6.429 1.00 43.31 H new ATOM 0 HG3 ARG A 366 5.546 2.654 -6.382 1.00 43.31 H new ATOM 0 HD2 ARG A 366 6.286 4.386 -4.800 1.00 1.31 H new ATOM 0 HD3 ARG A 366 7.927 3.795 -4.965 1.00 1.31 H new ATOM 0 HE ARG A 366 6.571 4.499 -7.488 1.00 25.41 H new ATOM 0 HH11 ARG A 366 8.750 5.505 -4.884 1.00 1.31 H new ATOM 0 HH12 ARG A 366 9.463 6.812 -5.835 1.00 1.31 H new ATOM 0 HH21 ARG A 366 7.487 6.161 -8.700 1.00 75.15 H new ATOM 0 HH22 ARG A 366 8.746 7.184 -7.999 1.00 75.15 H new ATOM 392 N LEU A 367 6.915 -0.999 -3.363 1.00 24.21 N ATOM 393 CA LEU A 367 7.080 -1.894 -2.255 1.00 72.11 C ATOM 394 C LEU A 367 6.947 -1.165 -0.905 1.00 54.31 C ATOM 395 O LEU A 367 6.418 -1.718 0.058 1.00 64.31 O ATOM 396 CB LEU A 367 8.389 -2.646 -2.447 1.00 53.21 C ATOM 397 CG LEU A 367 8.797 -3.708 -1.436 1.00 3.11 C ATOM 398 CD1 LEU A 367 7.630 -4.632 -1.094 1.00 34.03 C ATOM 399 CD2 LEU A 367 9.910 -4.517 -2.067 1.00 11.41 C ATOM 0 H LEU A 367 7.738 -0.922 -3.960 1.00 24.21 H new ATOM 0 HA LEU A 367 6.276 -2.630 -2.228 1.00 72.11 H new ATOM 0 HB2 LEU A 367 8.351 -3.124 -3.426 1.00 53.21 H new ATOM 0 HB3 LEU A 367 9.189 -1.906 -2.485 1.00 53.21 H new ATOM 0 HG LEU A 367 9.118 -3.231 -0.510 1.00 3.11 H new ATOM 0 HD11 LEU A 367 7.957 -5.378 -0.370 1.00 34.03 H new ATOM 0 HD12 LEU A 367 6.815 -4.046 -0.669 1.00 34.03 H new ATOM 0 HD13 LEU A 367 7.284 -5.132 -1.999 1.00 34.03 H new ATOM 0 HD21 LEU A 367 10.234 -5.293 -1.373 1.00 11.41 H new ATOM 0 HD22 LEU A 367 9.548 -4.979 -2.985 1.00 11.41 H new ATOM 0 HD23 LEU A 367 10.750 -3.862 -2.297 1.00 11.41 H new ATOM 411 N ASN A 368 7.369 0.090 -0.868 1.00 5.30 N ATOM 412 CA ASN A 368 7.188 0.926 0.328 1.00 14.43 C ATOM 413 C ASN A 368 5.711 1.245 0.508 1.00 22.43 C ATOM 414 O ASN A 368 5.189 1.226 1.615 1.00 23.00 O ATOM 415 CB ASN A 368 7.957 2.254 0.225 1.00 11.13 C ATOM 416 CG ASN A 368 9.459 2.116 0.106 1.00 51.20 C ATOM 417 OD1 ASN A 368 10.074 1.171 0.614 1.00 30.12 O ATOM 418 ND2 ASN A 368 10.059 3.061 -0.566 1.00 73.24 N ATOM 0 H ASN A 368 7.838 0.558 -1.644 1.00 5.30 H new ATOM 0 HA ASN A 368 7.575 0.364 1.178 1.00 14.43 H new ATOM 0 HB2 ASN A 368 7.588 2.804 -0.641 1.00 11.13 H new ATOM 0 HB3 ASN A 368 7.731 2.856 1.105 1.00 11.13 H new ATOM 0 HD21 ASN A 368 11.071 3.036 -0.687 1.00 73.24 H new ATOM 0 HD22 ASN A 368 9.515 3.824 -0.970 1.00 73.24 H new ATOM 425 N GLU A 369 5.036 1.515 -0.600 1.00 51.03 N ATOM 426 CA GLU A 369 3.627 1.876 -0.578 1.00 11.40 C ATOM 427 C GLU A 369 2.760 0.714 -0.145 1.00 30.21 C ATOM 428 O GLU A 369 1.723 0.914 0.478 1.00 51.33 O ATOM 429 CB GLU A 369 3.181 2.430 -1.915 1.00 1.11 C ATOM 430 CG GLU A 369 3.832 3.738 -2.271 1.00 55.15 C ATOM 431 CD GLU A 369 3.524 4.814 -1.264 1.00 74.23 C ATOM 432 OE1 GLU A 369 2.491 5.492 -1.404 1.00 44.12 O ATOM 433 OE2 GLU A 369 4.318 5.004 -0.329 1.00 21.31 O ATOM 0 H GLU A 369 5.447 1.490 -1.533 1.00 51.03 H new ATOM 0 HA GLU A 369 3.504 2.665 0.164 1.00 11.40 H new ATOM 0 HB2 GLU A 369 3.402 1.700 -2.694 1.00 1.11 H new ATOM 0 HB3 GLU A 369 2.099 2.564 -1.901 1.00 1.11 H new ATOM 0 HG2 GLU A 369 4.911 3.600 -2.335 1.00 55.15 H new ATOM 0 HG3 GLU A 369 3.492 4.056 -3.257 1.00 55.15 H new ATOM 440 N ILE A 370 3.179 -0.488 -0.490 1.00 1.12 N ATOM 441 CA ILE A 370 2.537 -1.710 -0.012 1.00 41.31 C ATOM 442 C ILE A 370 2.542 -1.731 1.507 1.00 11.53 C ATOM 443 O ILE A 370 1.528 -2.001 2.135 1.00 44.45 O ATOM 444 CB ILE A 370 3.267 -2.949 -0.581 1.00 11.44 C ATOM 445 CG1 ILE A 370 3.052 -2.997 -2.079 1.00 65.22 C ATOM 446 CG2 ILE A 370 2.847 -4.275 0.090 1.00 44.22 C ATOM 447 CD1 ILE A 370 3.739 -4.128 -2.728 1.00 52.14 C ATOM 0 H ILE A 370 3.973 -0.651 -1.109 1.00 1.12 H new ATOM 0 HA ILE A 370 1.503 -1.734 -0.356 1.00 41.31 H new ATOM 0 HB ILE A 370 4.328 -2.842 -0.357 1.00 11.44 H new ATOM 0 HG12 ILE A 370 1.984 -3.063 -2.284 1.00 65.22 H new ATOM 0 HG13 ILE A 370 3.404 -2.065 -2.520 1.00 65.22 H new ATOM 0 HG21 ILE A 370 3.399 -5.101 -0.359 1.00 44.22 H new ATOM 0 HG22 ILE A 370 3.067 -4.229 1.157 1.00 44.22 H new ATOM 0 HG23 ILE A 370 1.778 -4.433 -0.053 1.00 44.22 H new ATOM 0 HD11 ILE A 370 3.545 -4.105 -3.800 1.00 52.14 H new ATOM 0 HD12 ILE A 370 4.812 -4.051 -2.552 1.00 52.14 H new ATOM 0 HD13 ILE A 370 3.369 -5.065 -2.312 1.00 52.14 H new ATOM 459 N TYR A 371 3.677 -1.392 2.081 1.00 53.04 N ATOM 460 CA TYR A 371 3.814 -1.321 3.533 1.00 73.21 C ATOM 461 C TYR A 371 2.859 -0.268 4.108 1.00 15.21 C ATOM 462 O TYR A 371 2.207 -0.484 5.132 1.00 33.31 O ATOM 463 CB TYR A 371 5.249 -0.991 3.931 1.00 21.03 C ATOM 464 CG TYR A 371 6.299 -1.966 3.440 1.00 14.30 C ATOM 465 CD1 TYR A 371 6.081 -3.341 3.446 1.00 40.33 C ATOM 466 CD2 TYR A 371 7.531 -1.507 3.011 1.00 32.20 C ATOM 467 CE1 TYR A 371 7.058 -4.211 3.035 1.00 62.21 C ATOM 468 CE2 TYR A 371 8.508 -2.376 2.593 1.00 32.31 C ATOM 469 CZ TYR A 371 8.268 -3.723 2.605 1.00 73.21 C ATOM 470 OH TYR A 371 9.248 -4.592 2.202 1.00 23.41 O ATOM 0 H TYR A 371 4.527 -1.159 1.567 1.00 53.04 H new ATOM 0 HA TYR A 371 3.558 -2.298 3.943 1.00 73.21 H new ATOM 0 HB2 TYR A 371 5.494 0.002 3.553 1.00 21.03 H new ATOM 0 HB3 TYR A 371 5.304 -0.941 5.018 1.00 21.03 H new ATOM 0 HD1 TYR A 371 5.129 -3.728 3.779 1.00 40.33 H new ATOM 0 HD2 TYR A 371 7.728 -0.445 3.005 1.00 32.20 H new ATOM 0 HE1 TYR A 371 6.877 -5.276 3.049 1.00 62.21 H new ATOM 0 HE2 TYR A 371 9.462 -1.998 2.256 1.00 32.31 H new ATOM 0 HH TYR A 371 10.041 -4.086 1.927 1.00 23.41 H new ATOM 480 N ASN A 372 2.779 0.858 3.427 1.00 32.23 N ATOM 481 CA ASN A 372 1.865 1.947 3.814 1.00 65.44 C ATOM 482 C ASN A 372 0.411 1.506 3.730 1.00 51.44 C ATOM 483 O ASN A 372 -0.404 1.889 4.576 1.00 31.33 O ATOM 484 CB ASN A 372 2.089 3.231 2.983 1.00 55.43 C ATOM 485 CG ASN A 372 3.371 3.980 3.336 1.00 31.24 C ATOM 486 OD1 ASN A 372 3.372 4.852 4.192 1.00 45.51 O ATOM 487 ND2 ASN A 372 4.454 3.664 2.687 1.00 33.21 N ATOM 0 H ASN A 372 3.335 1.056 2.595 1.00 32.23 H new ATOM 0 HA ASN A 372 2.096 2.187 4.852 1.00 65.44 H new ATOM 0 HB2 ASN A 372 2.113 2.968 1.925 1.00 55.43 H new ATOM 0 HB3 ASN A 372 1.239 3.898 3.127 1.00 55.43 H new ATOM 0 HD21 ASN A 372 5.329 4.148 2.889 1.00 33.21 H new ATOM 0 HD22 ASN A 372 4.428 2.932 1.977 1.00 33.21 H new ATOM 494 N TRP A 373 0.096 0.688 2.720 1.00 42.44 N ATOM 495 CA TRP A 373 -1.247 0.150 2.526 1.00 50.42 C ATOM 496 C TRP A 373 -1.671 -0.613 3.760 1.00 74.41 C ATOM 497 O TRP A 373 -2.740 -0.366 4.317 1.00 23.15 O ATOM 498 CB TRP A 373 -1.280 -0.784 1.302 1.00 71.42 C ATOM 499 CG TRP A 373 -2.642 -1.373 0.989 1.00 52.43 C ATOM 500 CD1 TRP A 373 -3.556 -0.886 0.109 1.00 72.33 C ATOM 501 CD2 TRP A 373 -3.227 -2.566 1.551 1.00 12.14 C ATOM 502 NE1 TRP A 373 -4.669 -1.695 0.076 1.00 44.50 N ATOM 503 CE2 TRP A 373 -4.492 -2.734 0.959 1.00 13.54 C ATOM 504 CE3 TRP A 373 -2.799 -3.498 2.493 1.00 30.51 C ATOM 505 CZ2 TRP A 373 -5.330 -3.815 1.285 1.00 73.32 C ATOM 506 CZ3 TRP A 373 -3.622 -4.548 2.812 1.00 72.34 C ATOM 507 CH2 TRP A 373 -4.870 -4.699 2.208 1.00 20.42 C ATOM 0 H TRP A 373 0.768 0.383 2.016 1.00 42.44 H new ATOM 0 HA TRP A 373 -1.936 0.977 2.354 1.00 50.42 H new ATOM 0 HB2 TRP A 373 -0.930 -0.231 0.431 1.00 71.42 H new ATOM 0 HB3 TRP A 373 -0.576 -1.600 1.466 1.00 71.42 H new ATOM 0 HD1 TRP A 373 -3.427 0.009 -0.481 1.00 72.33 H new ATOM 0 HE1 TRP A 373 -5.492 -1.548 -0.509 1.00 44.50 H new ATOM 0 HE3 TRP A 373 -1.833 -3.396 2.965 1.00 30.51 H new ATOM 0 HZ2 TRP A 373 -6.298 -3.937 0.821 1.00 73.32 H new ATOM 0 HZ3 TRP A 373 -3.297 -5.272 3.545 1.00 72.34 H new ATOM 0 HH2 TRP A 373 -5.487 -5.542 2.482 1.00 20.42 H new ATOM 518 N PHE A 374 -0.818 -1.534 4.191 1.00 63.32 N ATOM 519 CA PHE A 374 -1.091 -2.356 5.361 1.00 71.32 C ATOM 520 C PHE A 374 -1.268 -1.532 6.612 1.00 4.51 C ATOM 521 O PHE A 374 -2.192 -1.754 7.366 1.00 72.43 O ATOM 522 CB PHE A 374 -0.010 -3.416 5.574 1.00 74.32 C ATOM 523 CG PHE A 374 -0.027 -4.566 4.609 1.00 10.44 C ATOM 524 CD1 PHE A 374 0.648 -4.505 3.412 1.00 62.31 C ATOM 525 CD2 PHE A 374 -0.715 -5.722 4.919 1.00 45.51 C ATOM 526 CE1 PHE A 374 0.636 -5.572 2.539 1.00 72.22 C ATOM 527 CE2 PHE A 374 -0.731 -6.790 4.054 1.00 65.33 C ATOM 528 CZ PHE A 374 -0.054 -6.716 2.862 1.00 52.44 C ATOM 0 H PHE A 374 0.077 -1.731 3.742 1.00 63.32 H new ATOM 0 HA PHE A 374 -2.035 -2.863 5.161 1.00 71.32 H new ATOM 0 HB2 PHE A 374 0.965 -2.931 5.516 1.00 74.32 H new ATOM 0 HB3 PHE A 374 -0.109 -3.812 6.585 1.00 74.32 H new ATOM 0 HD1 PHE A 374 1.194 -3.610 3.153 1.00 62.31 H new ATOM 0 HD2 PHE A 374 -1.249 -5.788 5.856 1.00 45.51 H new ATOM 0 HE1 PHE A 374 1.169 -5.509 1.602 1.00 72.22 H new ATOM 0 HE2 PHE A 374 -1.276 -7.686 4.312 1.00 65.33 H new ATOM 0 HZ PHE A 374 -0.064 -7.554 2.180 1.00 52.44 H new ATOM 538 N ALA A 375 -0.403 -0.580 6.817 1.00 0.12 N ATOM 539 CA ALA A 375 -0.464 0.262 8.011 1.00 61.45 C ATOM 540 C ALA A 375 -1.750 1.095 8.048 1.00 31.25 C ATOM 541 O ALA A 375 -2.354 1.293 9.100 1.00 42.35 O ATOM 542 CB ALA A 375 0.755 1.163 8.076 1.00 42.14 C ATOM 0 H ALA A 375 0.361 -0.355 6.179 1.00 0.12 H new ATOM 0 HA ALA A 375 -0.471 -0.392 8.883 1.00 61.45 H new ATOM 0 HB1 ALA A 375 0.700 1.786 8.969 1.00 42.14 H new ATOM 0 HB2 ALA A 375 1.657 0.552 8.115 1.00 42.14 H new ATOM 0 HB3 ALA A 375 0.785 1.799 7.191 1.00 42.14 H new ATOM 548 N SER A 376 -2.150 1.566 6.905 1.00 11.43 N ATOM 549 CA SER A 376 -3.324 2.387 6.781 1.00 34.24 C ATOM 550 C SER A 376 -4.632 1.575 6.797 1.00 23.14 C ATOM 551 O SER A 376 -5.638 2.030 7.346 1.00 24.40 O ATOM 552 CB SER A 376 -3.236 3.205 5.502 1.00 73.51 C ATOM 553 OG SER A 376 -2.049 3.987 5.480 1.00 30.40 O ATOM 0 H SER A 376 -1.669 1.392 6.023 1.00 11.43 H new ATOM 0 HA SER A 376 -3.353 3.042 7.651 1.00 34.24 H new ATOM 0 HB2 SER A 376 -3.254 2.540 4.638 1.00 73.51 H new ATOM 0 HB3 SER A 376 -4.107 3.856 5.421 1.00 73.51 H new ATOM 0 HG SER A 376 -1.298 3.433 5.180 1.00 30.40 H new ATOM 559 N ASN A 377 -4.626 0.379 6.210 1.00 70.02 N ATOM 560 CA ASN A 377 -5.868 -0.397 6.090 1.00 21.30 C ATOM 561 C ASN A 377 -5.988 -1.500 7.118 1.00 64.00 C ATOM 562 O ASN A 377 -7.052 -2.108 7.261 1.00 42.03 O ATOM 563 CB ASN A 377 -6.073 -0.946 4.661 1.00 50.34 C ATOM 564 CG ASN A 377 -6.218 0.153 3.628 1.00 1.33 C ATOM 565 OD1 ASN A 377 -7.320 0.633 3.358 1.00 40.13 O ATOM 566 ND2 ASN A 377 -5.115 0.551 3.038 1.00 75.41 N ATOM 0 H ASN A 377 -3.798 -0.069 5.817 1.00 70.02 H new ATOM 0 HA ASN A 377 -6.672 0.309 6.298 1.00 21.30 H new ATOM 0 HB2 ASN A 377 -5.227 -1.580 4.395 1.00 50.34 H new ATOM 0 HB3 ASN A 377 -6.962 -1.576 4.642 1.00 50.34 H new ATOM 0 HD21 ASN A 377 -5.152 1.283 2.328 1.00 75.41 H new ATOM 0 HD22 ASN A 377 -4.221 0.129 3.289 1.00 75.41 H new ATOM 573 N VAL A 378 -4.921 -1.773 7.824 1.00 2.52 N ATOM 574 CA VAL A 378 -4.934 -2.778 8.866 1.00 43.14 C ATOM 575 C VAL A 378 -4.512 -2.141 10.189 1.00 4.41 C ATOM 576 O VAL A 378 -3.367 -1.705 10.334 1.00 72.34 O ATOM 577 CB VAL A 378 -4.000 -3.979 8.541 1.00 75.00 C ATOM 578 CG1 VAL A 378 -4.039 -5.018 9.656 1.00 24.22 C ATOM 579 CG2 VAL A 378 -4.370 -4.620 7.208 1.00 54.34 C ATOM 0 H VAL A 378 -4.021 -1.310 7.697 1.00 2.52 H new ATOM 0 HA VAL A 378 -5.950 -3.167 8.938 1.00 43.14 H new ATOM 0 HB VAL A 378 -2.984 -3.593 8.464 1.00 75.00 H new ATOM 0 HG11 VAL A 378 -3.378 -5.847 9.404 1.00 24.22 H new ATOM 0 HG12 VAL A 378 -3.710 -4.562 10.590 1.00 24.22 H new ATOM 0 HG13 VAL A 378 -5.057 -5.389 9.772 1.00 24.22 H new ATOM 0 HG21 VAL A 378 -3.700 -5.456 7.008 1.00 54.34 H new ATOM 0 HG22 VAL A 378 -5.398 -4.981 7.251 1.00 54.34 H new ATOM 0 HG23 VAL A 378 -4.277 -3.882 6.411 1.00 54.34 H new ATOM 589 N PRO A 379 -5.440 -2.080 11.167 1.00 5.02 N ATOM 590 CA PRO A 379 -5.194 -1.454 12.467 1.00 23.35 C ATOM 591 C PRO A 379 -3.942 -1.989 13.182 1.00 34.51 C ATOM 592 O PRO A 379 -3.230 -1.229 13.834 1.00 43.54 O ATOM 593 CB PRO A 379 -6.446 -1.749 13.295 1.00 75.34 C ATOM 594 CG PRO A 379 -7.464 -2.322 12.364 1.00 24.35 C ATOM 595 CD PRO A 379 -6.810 -2.602 11.046 1.00 4.24 C ATOM 0 HA PRO A 379 -5.004 -0.389 12.337 1.00 23.35 H new ATOM 0 HB2 PRO A 379 -6.220 -2.451 14.098 1.00 75.34 H new ATOM 0 HB3 PRO A 379 -6.821 -0.839 13.763 1.00 75.34 H new ATOM 0 HG2 PRO A 379 -7.882 -3.239 12.780 1.00 24.35 H new ATOM 0 HG3 PRO A 379 -8.291 -1.624 12.234 1.00 24.35 H new ATOM 0 HD2 PRO A 379 -6.805 -3.670 10.830 1.00 4.24 H new ATOM 0 HD3 PRO A 379 -7.345 -2.114 10.231 1.00 4.24 H new ATOM 603 N TYR A 380 -3.676 -3.292 13.039 1.00 74.52 N ATOM 604 CA TYR A 380 -2.508 -3.933 13.657 1.00 41.23 C ATOM 605 C TYR A 380 -1.213 -3.334 13.117 1.00 1.43 C ATOM 606 O TYR A 380 -0.250 -3.151 13.852 1.00 55.45 O ATOM 607 CB TYR A 380 -2.561 -5.443 13.398 1.00 53.23 C ATOM 608 CG TYR A 380 -1.443 -6.236 14.019 1.00 24.33 C ATOM 609 CD1 TYR A 380 -1.435 -6.494 15.372 1.00 61.50 C ATOM 610 CD2 TYR A 380 -0.401 -6.733 13.250 1.00 35.03 C ATOM 611 CE1 TYR A 380 -0.429 -7.221 15.951 1.00 43.33 C ATOM 612 CE2 TYR A 380 0.614 -7.469 13.821 1.00 62.44 C ATOM 613 CZ TYR A 380 0.596 -7.711 15.177 1.00 51.42 C ATOM 614 OH TYR A 380 1.601 -8.454 15.759 1.00 21.35 O ATOM 0 H TYR A 380 -4.259 -3.929 12.496 1.00 74.52 H new ATOM 0 HA TYR A 380 -2.530 -3.755 14.732 1.00 41.23 H new ATOM 0 HB2 TYR A 380 -3.510 -5.827 13.772 1.00 53.23 H new ATOM 0 HB3 TYR A 380 -2.551 -5.612 12.321 1.00 53.23 H new ATOM 0 HD1 TYR A 380 -2.237 -6.116 15.988 1.00 61.50 H new ATOM 0 HD2 TYR A 380 -0.385 -6.540 12.187 1.00 35.03 H new ATOM 0 HE1 TYR A 380 -0.441 -7.409 17.014 1.00 43.33 H new ATOM 0 HE2 TYR A 380 1.418 -7.853 13.210 1.00 62.44 H new ATOM 0 HH TYR A 380 2.246 -8.725 15.073 1.00 21.35 H new ATOM 624 N PHE A 381 -1.179 -3.049 11.846 1.00 13.11 N ATOM 625 CA PHE A 381 -0.022 -2.429 11.274 1.00 32.42 C ATOM 626 C PHE A 381 0.027 -0.971 11.582 1.00 3.24 C ATOM 627 O PHE A 381 1.090 -0.385 11.652 1.00 14.32 O ATOM 628 CB PHE A 381 0.129 -2.732 9.819 1.00 54.02 C ATOM 629 CG PHE A 381 0.297 -4.179 9.587 1.00 65.20 C ATOM 630 CD1 PHE A 381 1.232 -4.899 10.311 1.00 12.11 C ATOM 631 CD2 PHE A 381 -0.452 -4.823 8.655 1.00 5.34 C ATOM 632 CE1 PHE A 381 1.404 -6.233 10.095 1.00 71.02 C ATOM 633 CE2 PHE A 381 -0.287 -6.151 8.435 1.00 2.33 C ATOM 634 CZ PHE A 381 0.649 -6.863 9.159 1.00 34.22 C ATOM 0 H PHE A 381 -1.937 -3.236 11.190 1.00 13.11 H new ATOM 0 HA PHE A 381 0.852 -2.872 11.751 1.00 32.42 H new ATOM 0 HB2 PHE A 381 -0.747 -2.374 9.278 1.00 54.02 H new ATOM 0 HB3 PHE A 381 0.990 -2.195 9.421 1.00 54.02 H new ATOM 0 HD1 PHE A 381 1.832 -4.397 11.056 1.00 12.11 H new ATOM 0 HD2 PHE A 381 -1.185 -4.273 8.084 1.00 5.34 H new ATOM 0 HE1 PHE A 381 2.136 -6.786 10.665 1.00 71.02 H new ATOM 0 HE2 PHE A 381 -0.889 -6.653 7.692 1.00 2.33 H new ATOM 0 HZ PHE A 381 0.780 -7.920 8.981 1.00 34.22 H new ATOM 644 N GLY A 382 -1.137 -0.389 11.761 1.00 34.32 N ATOM 645 CA GLY A 382 -1.245 0.999 12.126 1.00 75.15 C ATOM 646 C GLY A 382 -0.558 1.309 13.455 1.00 22.05 C ATOM 647 O GLY A 382 -0.161 2.448 13.707 1.00 4.11 O ATOM 0 H GLY A 382 -2.032 -0.866 11.657 1.00 34.32 H new ATOM 0 HA2 GLY A 382 -0.804 1.613 11.341 1.00 75.15 H new ATOM 0 HA3 GLY A 382 -2.298 1.273 12.192 1.00 75.15 H new ATOM 651 N ASN A 383 -0.412 0.294 14.318 1.00 63.42 N ATOM 652 CA ASN A 383 0.287 0.464 15.557 1.00 11.52 C ATOM 653 C ASN A 383 1.761 0.025 15.434 1.00 22.55 C ATOM 654 O ASN A 383 2.545 0.150 16.378 1.00 43.34 O ATOM 655 CB ASN A 383 -0.434 -0.231 16.735 1.00 71.50 C ATOM 656 CG ASN A 383 -0.724 -1.696 16.547 1.00 45.20 C ATOM 657 OD1 ASN A 383 -1.804 -2.077 16.106 1.00 15.21 O ATOM 658 ND2 ASN A 383 0.222 -2.516 16.859 1.00 54.21 N ATOM 0 H ASN A 383 -0.776 -0.646 14.162 1.00 63.42 H new ATOM 0 HA ASN A 383 0.286 1.530 15.785 1.00 11.52 H new ATOM 0 HB2 ASN A 383 0.175 -0.112 17.631 1.00 71.50 H new ATOM 0 HB3 ASN A 383 -1.376 0.287 16.918 1.00 71.50 H new ATOM 0 HD21 ASN A 383 0.086 -3.520 16.742 1.00 54.21 H new ATOM 0 HD22 ASN A 383 1.106 -2.160 17.223 1.00 54.21 H new ATOM 665 N ARG A 384 2.130 -0.470 14.257 1.00 72.33 N ATOM 666 CA ARG A 384 3.506 -0.859 13.947 1.00 5.11 C ATOM 667 C ARG A 384 4.030 -0.098 12.749 1.00 42.42 C ATOM 668 O ARG A 384 4.285 -0.680 11.685 1.00 62.10 O ATOM 669 CB ARG A 384 3.679 -2.356 13.703 1.00 54.43 C ATOM 670 CG ARG A 384 3.533 -3.237 14.910 1.00 43.45 C ATOM 671 CD ARG A 384 3.868 -4.663 14.540 1.00 3.33 C ATOM 672 NE ARG A 384 3.866 -5.549 15.693 1.00 32.15 N ATOM 673 CZ ARG A 384 4.452 -6.743 15.739 1.00 13.52 C ATOM 674 NH1 ARG A 384 5.111 -7.209 14.679 1.00 71.10 N ATOM 675 NH2 ARG A 384 4.391 -7.466 16.844 1.00 2.41 N ATOM 0 H ARG A 384 1.480 -0.614 13.484 1.00 72.33 H new ATOM 0 HA ARG A 384 4.084 -0.605 14.836 1.00 5.11 H new ATOM 0 HB2 ARG A 384 2.949 -2.670 12.957 1.00 54.43 H new ATOM 0 HB3 ARG A 384 4.666 -2.523 13.272 1.00 54.43 H new ATOM 0 HG2 ARG A 384 4.193 -2.893 15.706 1.00 43.45 H new ATOM 0 HG3 ARG A 384 2.514 -3.180 15.293 1.00 43.45 H new ATOM 0 HD2 ARG A 384 3.147 -5.024 13.806 1.00 3.33 H new ATOM 0 HD3 ARG A 384 4.848 -4.692 14.065 1.00 3.33 H new ATOM 0 HE ARG A 384 3.378 -5.231 16.530 1.00 32.15 H new ATOM 0 HH11 ARG A 384 5.168 -6.650 13.828 1.00 71.10 H new ATOM 0 HH12 ARG A 384 5.559 -8.125 14.719 1.00 71.10 H new ATOM 0 HH21 ARG A 384 3.895 -7.109 17.661 1.00 2.41 H new ATOM 0 HH22 ARG A 384 4.840 -8.381 16.880 1.00 2.41 H new ATOM 689 N THR A 385 4.154 1.188 12.898 1.00 51.21 N ATOM 690 CA THR A 385 4.615 2.028 11.825 1.00 54.02 C ATOM 691 C THR A 385 5.980 2.623 12.131 1.00 61.23 C ATOM 692 O THR A 385 6.494 3.438 11.364 1.00 42.23 O ATOM 693 CB THR A 385 3.615 3.169 11.566 1.00 3.32 C ATOM 694 OG1 THR A 385 3.367 3.877 12.796 1.00 42.41 O ATOM 695 CG2 THR A 385 2.311 2.634 11.013 1.00 20.34 C ATOM 0 H THR A 385 3.940 1.686 13.762 1.00 51.21 H new ATOM 0 HA THR A 385 4.697 1.402 10.937 1.00 54.02 H new ATOM 0 HB THR A 385 4.046 3.846 10.829 1.00 3.32 H new ATOM 0 HG1 THR A 385 2.732 4.605 12.632 1.00 42.41 H new ATOM 0 HG21 THR A 385 1.623 3.461 10.839 1.00 20.34 H new ATOM 0 HG22 THR A 385 2.500 2.116 10.073 1.00 20.34 H new ATOM 0 HG23 THR A 385 1.870 1.939 11.728 1.00 20.34 H new ATOM 703 N SER A 386 6.581 2.225 13.242 1.00 53.11 N ATOM 704 CA SER A 386 7.861 2.765 13.582 1.00 34.35 C ATOM 705 C SER A 386 8.917 1.954 12.845 1.00 22.03 C ATOM 706 O SER A 386 8.641 0.827 12.434 1.00 45.14 O ATOM 707 CB SER A 386 8.083 2.757 15.100 1.00 33.33 C ATOM 708 OG SER A 386 9.253 3.486 15.455 1.00 41.24 O ATOM 0 H SER A 386 6.203 1.545 13.902 1.00 53.11 H new ATOM 0 HA SER A 386 7.925 3.809 13.277 1.00 34.35 H new ATOM 0 HB2 SER A 386 7.216 3.191 15.599 1.00 33.33 H new ATOM 0 HB3 SER A 386 8.172 1.729 15.451 1.00 33.33 H new ATOM 0 HG SER A 386 9.369 3.466 16.428 1.00 41.24 H new ATOM 714 N GLN A 387 10.101 2.513 12.691 1.00 3.32 N ATOM 715 CA GLN A 387 11.167 1.920 11.871 1.00 71.51 C ATOM 716 C GLN A 387 11.427 0.439 12.169 1.00 40.24 C ATOM 717 O GLN A 387 11.406 -0.396 11.260 1.00 70.12 O ATOM 718 CB GLN A 387 12.459 2.718 11.993 1.00 73.24 C ATOM 719 CG GLN A 387 12.325 4.173 11.575 1.00 71.20 C ATOM 720 CD GLN A 387 13.641 4.912 11.624 1.00 34.45 C ATOM 721 OE1 GLN A 387 14.520 4.592 12.421 1.00 34.33 O ATOM 722 NE2 GLN A 387 13.795 5.889 10.773 1.00 45.33 N ATOM 0 H GLN A 387 10.363 3.396 13.129 1.00 3.32 H new ATOM 0 HA GLN A 387 10.806 1.968 10.844 1.00 71.51 H new ATOM 0 HB2 GLN A 387 12.804 2.677 13.026 1.00 73.24 H new ATOM 0 HB3 GLN A 387 13.227 2.244 11.382 1.00 73.24 H new ATOM 0 HG2 GLN A 387 11.922 4.221 10.563 1.00 71.20 H new ATOM 0 HG3 GLN A 387 11.608 4.671 12.228 1.00 71.20 H new ATOM 0 HE21 GLN A 387 13.042 6.126 10.126 1.00 45.33 H new ATOM 0 HE22 GLN A 387 14.668 6.416 10.754 1.00 45.33 H new ATOM 731 N GLU A 388 11.631 0.106 13.418 1.00 53.43 N ATOM 732 CA GLU A 388 11.945 -1.264 13.770 1.00 55.05 C ATOM 733 C GLU A 388 10.678 -2.079 14.002 1.00 51.01 C ATOM 734 O GLU A 388 10.662 -3.290 13.782 1.00 73.42 O ATOM 735 CB GLU A 388 12.873 -1.309 14.970 1.00 21.41 C ATOM 736 CG GLU A 388 14.166 -0.545 14.742 1.00 12.03 C ATOM 737 CD GLU A 388 15.076 -0.589 15.924 1.00 40.30 C ATOM 738 OE1 GLU A 388 14.889 0.207 16.852 1.00 53.25 O ATOM 739 OE2 GLU A 388 15.991 -1.427 15.947 1.00 31.31 O ATOM 0 H GLU A 388 11.587 0.754 14.205 1.00 53.43 H new ATOM 0 HA GLU A 388 12.469 -1.721 12.930 1.00 55.05 H new ATOM 0 HB2 GLU A 388 12.359 -0.894 15.837 1.00 21.41 H new ATOM 0 HB3 GLU A 388 13.106 -2.348 15.205 1.00 21.41 H new ATOM 0 HG2 GLU A 388 14.681 -0.961 13.876 1.00 12.03 H new ATOM 0 HG3 GLU A 388 13.933 0.493 14.506 1.00 12.03 H new ATOM 746 N GLN A 389 9.607 -1.406 14.416 1.00 41.51 N ATOM 747 CA GLN A 389 8.331 -2.067 14.626 1.00 23.01 C ATOM 748 C GLN A 389 7.644 -2.459 13.342 1.00 4.54 C ATOM 749 O GLN A 389 6.735 -3.280 13.339 1.00 33.22 O ATOM 750 CB GLN A 389 7.405 -1.267 15.497 1.00 14.11 C ATOM 751 CG GLN A 389 7.933 -1.107 16.905 1.00 30.33 C ATOM 752 CD GLN A 389 6.826 -1.082 17.908 1.00 5.12 C ATOM 753 OE1 GLN A 389 6.995 -1.493 19.061 1.00 65.41 O ATOM 754 NE2 GLN A 389 5.686 -0.635 17.493 1.00 32.23 N ATOM 0 H GLN A 389 9.602 -0.405 14.611 1.00 41.51 H new ATOM 0 HA GLN A 389 8.576 -2.989 15.153 1.00 23.01 H new ATOM 0 HB2 GLN A 389 7.254 -0.282 15.054 1.00 14.11 H new ATOM 0 HB3 GLN A 389 6.430 -1.754 15.530 1.00 14.11 H new ATOM 0 HG2 GLN A 389 8.614 -1.927 17.134 1.00 30.33 H new ATOM 0 HG3 GLN A 389 8.509 -0.185 16.975 1.00 30.33 H new ATOM 0 HE21 GLN A 389 5.587 -0.304 16.533 1.00 32.23 H new ATOM 0 HE22 GLN A 389 4.886 -0.613 18.125 1.00 32.23 H new ATOM 763 N SER A 390 8.061 -1.871 12.262 1.00 24.40 N ATOM 764 CA SER A 390 7.493 -2.178 10.992 1.00 1.04 C ATOM 765 C SER A 390 8.410 -3.128 10.191 1.00 51.13 C ATOM 766 O SER A 390 7.941 -3.913 9.365 1.00 54.34 O ATOM 767 CB SER A 390 7.209 -0.878 10.228 1.00 43.52 C ATOM 768 OG SER A 390 6.522 -1.119 9.027 1.00 55.35 O ATOM 0 H SER A 390 8.801 -1.169 12.239 1.00 24.40 H new ATOM 0 HA SER A 390 6.548 -2.702 11.138 1.00 1.04 H new ATOM 0 HB2 SER A 390 6.621 -0.209 10.855 1.00 43.52 H new ATOM 0 HB3 SER A 390 8.149 -0.370 10.013 1.00 43.52 H new ATOM 0 HG SER A 390 5.785 -1.744 9.191 1.00 55.35 H new ATOM 774 N ALA A 391 9.703 -3.088 10.494 1.00 40.21 N ATOM 775 CA ALA A 391 10.721 -3.859 9.761 1.00 33.44 C ATOM 776 C ALA A 391 10.442 -5.362 9.723 1.00 72.34 C ATOM 777 O ALA A 391 10.629 -6.005 8.674 1.00 33.41 O ATOM 778 CB ALA A 391 12.094 -3.598 10.346 1.00 22.31 C ATOM 0 H ALA A 391 10.083 -2.523 11.253 1.00 40.21 H new ATOM 0 HA ALA A 391 10.682 -3.514 8.728 1.00 33.44 H new ATOM 0 HB1 ALA A 391 12.839 -4.173 9.796 1.00 22.31 H new ATOM 0 HB2 ALA A 391 12.326 -2.536 10.269 1.00 22.31 H new ATOM 0 HB3 ALA A 391 12.106 -3.897 11.394 1.00 22.31 H new ATOM 784 N GLY A 392 9.981 -5.907 10.833 1.00 0.24 N ATOM 785 CA GLY A 392 9.755 -7.328 10.924 1.00 3.11 C ATOM 786 C GLY A 392 8.648 -7.818 10.038 1.00 33.13 C ATOM 787 O GLY A 392 8.808 -8.822 9.333 1.00 61.45 O ATOM 0 H GLY A 392 9.758 -5.384 11.680 1.00 0.24 H new ATOM 0 HA2 GLY A 392 10.675 -7.851 10.664 1.00 3.11 H new ATOM 0 HA3 GLY A 392 9.523 -7.585 11.957 1.00 3.11 H new ATOM 791 N TRP A 393 7.522 -7.130 10.036 1.00 23.51 N ATOM 792 CA TRP A 393 6.433 -7.581 9.213 1.00 33.52 C ATOM 793 C TRP A 393 6.708 -7.291 7.734 1.00 53.40 C ATOM 794 O TRP A 393 6.221 -8.001 6.847 1.00 3.22 O ATOM 795 CB TRP A 393 5.045 -7.113 9.701 1.00 72.20 C ATOM 796 CG TRP A 393 4.826 -5.646 9.736 1.00 20.41 C ATOM 797 CD1 TRP A 393 5.127 -4.797 10.746 1.00 43.14 C ATOM 798 CD2 TRP A 393 4.220 -4.867 8.718 1.00 14.01 C ATOM 799 NE1 TRP A 393 4.748 -3.515 10.409 1.00 33.24 N ATOM 800 CE2 TRP A 393 4.198 -3.535 9.162 1.00 24.23 C ATOM 801 CE3 TRP A 393 3.703 -5.176 7.470 1.00 41.24 C ATOM 802 CZ2 TRP A 393 3.674 -2.500 8.392 1.00 4.12 C ATOM 803 CZ3 TRP A 393 3.182 -4.154 6.702 1.00 2.31 C ATOM 804 CH2 TRP A 393 3.174 -2.830 7.164 1.00 12.21 C ATOM 0 H TRP A 393 7.346 -6.284 10.579 1.00 23.51 H new ATOM 0 HA TRP A 393 6.382 -8.665 9.316 1.00 33.52 H new ATOM 0 HB2 TRP A 393 4.287 -7.558 9.056 1.00 72.20 H new ATOM 0 HB3 TRP A 393 4.883 -7.508 10.704 1.00 72.20 H new ATOM 0 HD1 TRP A 393 5.594 -5.081 11.677 1.00 43.14 H new ATOM 0 HE1 TRP A 393 4.861 -2.688 10.996 1.00 33.24 H new ATOM 0 HE3 TRP A 393 3.708 -6.193 7.107 1.00 41.24 H new ATOM 0 HZ2 TRP A 393 3.663 -1.481 8.750 1.00 4.12 H new ATOM 0 HZ3 TRP A 393 2.773 -4.378 5.728 1.00 2.31 H new ATOM 0 HH2 TRP A 393 2.763 -2.054 6.535 1.00 12.21 H new ATOM 815 N LYS A 394 7.532 -6.255 7.469 1.00 61.13 N ATOM 816 CA LYS A 394 8.019 -6.004 6.124 1.00 63.42 C ATOM 817 C LYS A 394 8.822 -7.194 5.639 1.00 41.13 C ATOM 818 O LYS A 394 8.718 -7.601 4.474 1.00 45.03 O ATOM 819 CB LYS A 394 8.900 -4.768 6.085 1.00 14.03 C ATOM 820 CG LYS A 394 8.155 -3.503 6.349 1.00 45.44 C ATOM 821 CD LYS A 394 9.060 -2.300 6.330 1.00 65.02 C ATOM 822 CE LYS A 394 8.245 -1.067 6.547 1.00 42.12 C ATOM 823 NZ LYS A 394 9.045 0.174 6.447 1.00 12.14 N ATOM 0 H LYS A 394 7.863 -5.593 8.171 1.00 61.13 H new ATOM 0 HA LYS A 394 7.156 -5.844 5.478 1.00 63.42 H new ATOM 0 HB2 LYS A 394 9.695 -4.874 6.823 1.00 14.03 H new ATOM 0 HB3 LYS A 394 9.379 -4.702 5.108 1.00 14.03 H new ATOM 0 HG2 LYS A 394 7.373 -3.380 5.600 1.00 45.44 H new ATOM 0 HG3 LYS A 394 7.660 -3.569 7.318 1.00 45.44 H new ATOM 0 HD2 LYS A 394 9.819 -2.389 7.107 1.00 65.02 H new ATOM 0 HD3 LYS A 394 9.585 -2.240 5.376 1.00 65.02 H new ATOM 0 HE2 LYS A 394 7.440 -1.035 5.813 1.00 42.12 H new ATOM 0 HE3 LYS A 394 7.778 -1.114 7.531 1.00 42.12 H new ATOM 0 HZ1 LYS A 394 8.430 0.997 6.606 1.00 12.14 H new ATOM 0 HZ2 LYS A 394 9.798 0.161 7.165 1.00 12.14 H new ATOM 0 HZ3 LYS A 394 9.471 0.237 5.500 1.00 12.14 H new ATOM 837 N ASN A 395 9.607 -7.771 6.556 1.00 45.30 N ATOM 838 CA ASN A 395 10.444 -8.931 6.245 1.00 72.44 C ATOM 839 C ASN A 395 9.573 -10.117 5.794 1.00 31.32 C ATOM 840 O ASN A 395 9.908 -10.829 4.838 1.00 33.01 O ATOM 841 CB ASN A 395 11.294 -9.306 7.475 1.00 32.50 C ATOM 842 CG ASN A 395 12.203 -10.502 7.256 1.00 30.12 C ATOM 843 OD1 ASN A 395 12.667 -10.757 6.156 1.00 35.40 O ATOM 844 ND2 ASN A 395 12.484 -11.224 8.312 1.00 11.21 N ATOM 0 H ASN A 395 9.679 -7.451 7.522 1.00 45.30 H new ATOM 0 HA ASN A 395 11.115 -8.678 5.424 1.00 72.44 H new ATOM 0 HB2 ASN A 395 11.902 -8.447 7.759 1.00 32.50 H new ATOM 0 HB3 ASN A 395 10.629 -9.516 8.313 1.00 32.50 H new ATOM 0 HD21 ASN A 395 13.108 -12.027 8.230 1.00 11.21 H new ATOM 0 HD22 ASN A 395 12.079 -10.983 9.217 1.00 11.21 H new ATOM 851 N SER A 396 8.443 -10.284 6.452 1.00 4.55 N ATOM 852 CA SER A 396 7.509 -11.359 6.158 1.00 31.20 C ATOM 853 C SER A 396 6.822 -11.168 4.774 1.00 71.24 C ATOM 854 O SER A 396 6.527 -12.144 4.061 1.00 52.35 O ATOM 855 CB SER A 396 6.488 -11.433 7.276 1.00 51.20 C ATOM 856 OG SER A 396 7.139 -11.611 8.531 1.00 53.30 O ATOM 0 H SER A 396 8.142 -9.674 7.212 1.00 4.55 H new ATOM 0 HA SER A 396 8.056 -12.300 6.099 1.00 31.20 H new ATOM 0 HB2 SER A 396 5.892 -10.520 7.294 1.00 51.20 H new ATOM 0 HB3 SER A 396 5.800 -12.259 7.095 1.00 51.20 H new ATOM 0 HG SER A 396 6.468 -11.655 9.244 1.00 53.30 H new ATOM 862 N ILE A 397 6.579 -9.926 4.397 1.00 21.54 N ATOM 863 CA ILE A 397 6.017 -9.614 3.079 1.00 11.25 C ATOM 864 C ILE A 397 7.047 -9.940 1.990 1.00 14.04 C ATOM 865 O ILE A 397 6.715 -10.526 0.955 1.00 52.01 O ATOM 866 CB ILE A 397 5.553 -8.122 3.013 1.00 53.54 C ATOM 867 CG1 ILE A 397 4.344 -7.929 3.942 1.00 45.44 C ATOM 868 CG2 ILE A 397 5.218 -7.686 1.584 1.00 70.31 C ATOM 869 CD1 ILE A 397 3.872 -6.510 4.092 1.00 60.31 C ATOM 0 H ILE A 397 6.760 -9.109 4.981 1.00 21.54 H new ATOM 0 HA ILE A 397 5.134 -10.230 2.908 1.00 11.25 H new ATOM 0 HB ILE A 397 6.376 -7.490 3.346 1.00 53.54 H new ATOM 0 HG12 ILE A 397 3.517 -8.532 3.566 1.00 45.44 H new ATOM 0 HG13 ILE A 397 4.599 -8.316 4.928 1.00 45.44 H new ATOM 0 HG21 ILE A 397 4.901 -6.643 1.587 1.00 70.31 H new ATOM 0 HG22 ILE A 397 6.101 -7.795 0.954 1.00 70.31 H new ATOM 0 HG23 ILE A 397 4.414 -8.309 1.193 1.00 70.31 H new ATOM 0 HD11 ILE A 397 3.016 -6.481 4.766 1.00 60.31 H new ATOM 0 HD12 ILE A 397 4.677 -5.900 4.501 1.00 60.31 H new ATOM 0 HD13 ILE A 397 3.579 -6.119 3.118 1.00 60.31 H new ATOM 881 N ARG A 398 8.296 -9.611 2.264 1.00 24.40 N ATOM 882 CA ARG A 398 9.406 -9.910 1.362 1.00 61.42 C ATOM 883 C ARG A 398 9.604 -11.415 1.240 1.00 70.52 C ATOM 884 O ARG A 398 10.005 -11.924 0.186 1.00 24.45 O ATOM 885 CB ARG A 398 10.672 -9.240 1.868 1.00 55.22 C ATOM 886 CG ARG A 398 10.574 -7.738 1.875 1.00 32.31 C ATOM 887 CD ARG A 398 10.468 -7.173 0.471 1.00 60.32 C ATOM 888 NE ARG A 398 11.714 -7.347 -0.278 1.00 61.43 N ATOM 889 CZ ARG A 398 11.810 -7.542 -1.600 1.00 4.34 C ATOM 890 NH1 ARG A 398 10.722 -7.762 -2.331 1.00 0.13 N ATOM 891 NH2 ARG A 398 12.997 -7.527 -2.189 1.00 2.45 N ATOM 0 H ARG A 398 8.575 -9.128 3.118 1.00 24.40 H new ATOM 0 HA ARG A 398 9.174 -9.520 0.371 1.00 61.42 H new ATOM 0 HB2 ARG A 398 10.884 -9.590 2.878 1.00 55.22 H new ATOM 0 HB3 ARG A 398 11.512 -9.542 1.243 1.00 55.22 H new ATOM 0 HG2 ARG A 398 9.703 -7.433 2.456 1.00 32.31 H new ATOM 0 HG3 ARG A 398 11.450 -7.319 2.370 1.00 32.31 H new ATOM 0 HD2 ARG A 398 9.653 -7.666 -0.059 1.00 60.32 H new ATOM 0 HD3 ARG A 398 10.220 -6.113 0.523 1.00 60.32 H new ATOM 0 HE ARG A 398 12.585 -7.317 0.253 1.00 61.43 H new ATOM 0 HH11 ARG A 398 9.804 -7.783 -1.886 1.00 0.13 H new ATOM 0 HH12 ARG A 398 10.805 -7.909 -3.337 1.00 0.13 H new ATOM 0 HH21 ARG A 398 13.839 -7.367 -1.636 1.00 2.45 H new ATOM 0 HH22 ARG A 398 13.069 -7.676 -3.196 1.00 2.45 H new ATOM 905 N HIS A 399 9.297 -12.111 2.318 1.00 11.34 N ATOM 906 CA HIS A 399 9.385 -13.562 2.390 1.00 14.42 C ATOM 907 C HIS A 399 8.432 -14.176 1.350 1.00 13.32 C ATOM 908 O HIS A 399 8.820 -15.040 0.583 1.00 52.55 O ATOM 909 CB HIS A 399 8.995 -14.011 3.821 1.00 70.43 C ATOM 910 CG HIS A 399 9.236 -15.457 4.163 1.00 44.21 C ATOM 911 ND1 HIS A 399 10.082 -15.842 5.172 1.00 30.14 N ATOM 912 CD2 HIS A 399 8.708 -16.601 3.670 1.00 64.04 C ATOM 913 CE1 HIS A 399 10.072 -17.149 5.285 1.00 31.20 C ATOM 914 NE2 HIS A 399 9.248 -17.636 4.388 1.00 14.30 N ATOM 0 H HIS A 399 8.974 -11.680 3.184 1.00 11.34 H new ATOM 0 HA HIS A 399 10.399 -13.897 2.174 1.00 14.42 H new ATOM 0 HB2 HIS A 399 9.546 -13.396 4.533 1.00 70.43 H new ATOM 0 HB3 HIS A 399 7.936 -13.798 3.968 1.00 70.43 H new ATOM 0 HD2 HIS A 399 7.995 -16.683 2.863 1.00 64.04 H new ATOM 0 HE1 HIS A 399 10.645 -17.726 5.996 1.00 31.20 H new ATOM 0 HE2 HIS A 399 9.042 -18.625 4.248 1.00 14.30 H new ATOM 923 N ASN A 400 7.195 -13.682 1.324 1.00 71.32 N ATOM 924 CA ASN A 400 6.156 -14.180 0.393 1.00 11.42 C ATOM 925 C ASN A 400 6.389 -13.795 -1.048 1.00 30.34 C ATOM 926 O ASN A 400 6.056 -14.568 -1.960 1.00 4.21 O ATOM 927 CB ASN A 400 4.743 -13.766 0.820 1.00 25.22 C ATOM 928 CG ASN A 400 4.191 -14.611 1.934 1.00 35.42 C ATOM 929 OD1 ASN A 400 3.573 -15.640 1.687 1.00 72.01 O ATOM 930 ND2 ASN A 400 4.363 -14.181 3.147 1.00 54.50 N ATOM 0 H ASN A 400 6.876 -12.932 1.937 1.00 71.32 H new ATOM 0 HA ASN A 400 6.239 -15.265 0.453 1.00 11.42 H new ATOM 0 HB2 ASN A 400 4.757 -12.723 1.136 1.00 25.22 H new ATOM 0 HB3 ASN A 400 4.077 -13.830 -0.040 1.00 25.22 H new ATOM 0 HD21 ASN A 400 3.978 -14.704 3.933 1.00 54.50 H new ATOM 0 HD22 ASN A 400 4.883 -13.320 3.314 1.00 54.50 H new ATOM 937 N LEU A 401 6.947 -12.628 -1.265 1.00 14.33 N ATOM 938 CA LEU A 401 7.190 -12.123 -2.615 1.00 34.31 C ATOM 939 C LEU A 401 8.120 -13.019 -3.432 1.00 53.21 C ATOM 940 O LEU A 401 7.911 -13.210 -4.622 1.00 1.14 O ATOM 941 CB LEU A 401 7.675 -10.661 -2.576 1.00 30.22 C ATOM 942 CG LEU A 401 6.618 -9.645 -2.122 1.00 33.42 C ATOM 943 CD1 LEU A 401 7.202 -8.249 -1.967 1.00 65.31 C ATOM 944 CD2 LEU A 401 5.499 -9.608 -3.132 1.00 40.44 C ATOM 0 H LEU A 401 7.248 -11.997 -0.522 1.00 14.33 H new ATOM 0 HA LEU A 401 6.234 -12.144 -3.138 1.00 34.31 H new ATOM 0 HB2 LEU A 401 8.533 -10.595 -1.907 1.00 30.22 H new ATOM 0 HB3 LEU A 401 8.024 -10.382 -3.570 1.00 30.22 H new ATOM 0 HG LEU A 401 6.245 -9.961 -1.148 1.00 33.42 H new ATOM 0 HD11 LEU A 401 6.420 -7.561 -1.644 1.00 65.31 H new ATOM 0 HD12 LEU A 401 7.998 -8.268 -1.223 1.00 65.31 H new ATOM 0 HD13 LEU A 401 7.607 -7.916 -2.923 1.00 65.31 H new ATOM 0 HD21 LEU A 401 4.745 -8.888 -2.814 1.00 40.44 H new ATOM 0 HD22 LEU A 401 5.895 -9.313 -4.104 1.00 40.44 H new ATOM 0 HD23 LEU A 401 5.046 -10.596 -3.210 1.00 40.44 H new ATOM 1257 N TRP A 421 7.001 -3.580 -8.164 1.00 42.34 N ATOM 1258 CA TRP A 421 6.799 -4.845 -8.783 1.00 15.31 C ATOM 1259 C TRP A 421 5.308 -4.990 -9.141 1.00 14.21 C ATOM 1260 O TRP A 421 4.473 -4.190 -8.688 1.00 20.25 O ATOM 1261 CB TRP A 421 7.247 -5.965 -7.799 1.00 63.12 C ATOM 1262 CG TRP A 421 6.418 -6.038 -6.580 1.00 64.22 C ATOM 1263 CD1 TRP A 421 6.571 -5.316 -5.448 1.00 54.22 C ATOM 1264 CD2 TRP A 421 5.308 -6.899 -6.366 1.00 51.31 C ATOM 1265 NE1 TRP A 421 5.615 -5.663 -4.559 1.00 73.12 N ATOM 1266 CE2 TRP A 421 4.824 -6.632 -5.103 1.00 54.43 C ATOM 1267 CE3 TRP A 421 4.676 -7.863 -7.139 1.00 35.22 C ATOM 1268 CZ2 TRP A 421 3.734 -7.289 -4.580 1.00 2.13 C ATOM 1269 CZ3 TRP A 421 3.596 -8.523 -6.624 1.00 65.42 C ATOM 1270 CH2 TRP A 421 3.129 -8.235 -5.355 1.00 74.04 C ATOM 0 HA TRP A 421 7.388 -4.928 -9.696 1.00 15.31 H new ATOM 0 HB2 TRP A 421 7.211 -6.926 -8.312 1.00 63.12 H new ATOM 0 HB3 TRP A 421 8.285 -5.795 -7.514 1.00 63.12 H new ATOM 0 HD1 TRP A 421 7.339 -4.576 -5.280 1.00 54.22 H new ATOM 0 HE1 TRP A 421 5.502 -5.263 -3.627 1.00 73.12 H new ATOM 0 HE3 TRP A 421 5.033 -8.088 -8.133 1.00 35.22 H new ATOM 0 HZ2 TRP A 421 3.369 -7.063 -3.589 1.00 2.13 H new ATOM 0 HZ3 TRP A 421 3.101 -9.279 -7.216 1.00 65.42 H new ATOM 0 HH2 TRP A 421 2.271 -8.767 -4.971 1.00 74.04 H new ATOM 1281 N VAL A 422 4.994 -5.968 -9.955 1.00 52.31 N ATOM 1282 CA VAL A 422 3.624 -6.292 -10.320 1.00 14.11 C ATOM 1283 C VAL A 422 3.402 -7.777 -10.167 1.00 72.33 C ATOM 1284 O VAL A 422 4.363 -8.555 -10.150 1.00 45.21 O ATOM 1285 CB VAL A 422 3.226 -5.854 -11.763 1.00 4.54 C ATOM 1286 CG1 VAL A 422 3.170 -4.353 -11.873 1.00 25.01 C ATOM 1287 CG2 VAL A 422 4.188 -6.419 -12.795 1.00 70.51 C ATOM 0 H VAL A 422 5.688 -6.574 -10.392 1.00 52.31 H new ATOM 0 HA VAL A 422 2.986 -5.724 -9.643 1.00 14.11 H new ATOM 0 HB VAL A 422 2.233 -6.255 -11.965 1.00 4.54 H new ATOM 0 HG11 VAL A 422 2.890 -4.073 -12.889 1.00 25.01 H new ATOM 0 HG12 VAL A 422 2.431 -3.964 -11.173 1.00 25.01 H new ATOM 0 HG13 VAL A 422 4.148 -3.934 -11.637 1.00 25.01 H new ATOM 0 HG21 VAL A 422 3.884 -6.096 -13.791 1.00 70.51 H new ATOM 0 HG22 VAL A 422 5.196 -6.059 -12.589 1.00 70.51 H new ATOM 0 HG23 VAL A 422 4.175 -7.508 -12.747 1.00 70.51 H new ATOM 1297 N ILE A 423 2.176 -8.182 -10.052 1.00 20.24 N ATOM 1298 CA ILE A 423 1.877 -9.577 -9.870 1.00 62.40 C ATOM 1299 C ILE A 423 1.871 -10.233 -11.224 1.00 13.32 C ATOM 1300 O ILE A 423 1.315 -9.674 -12.175 1.00 53.25 O ATOM 1301 CB ILE A 423 0.477 -9.783 -9.232 1.00 41.32 C ATOM 1302 CG1 ILE A 423 0.336 -8.955 -7.959 1.00 62.01 C ATOM 1303 CG2 ILE A 423 0.252 -11.260 -8.923 1.00 41.23 C ATOM 1304 CD1 ILE A 423 -1.015 -9.074 -7.291 1.00 34.14 C ATOM 0 H ILE A 423 1.361 -7.569 -10.080 1.00 20.24 H new ATOM 0 HA ILE A 423 2.628 -10.009 -9.208 1.00 62.40 H new ATOM 0 HB ILE A 423 -0.277 -9.450 -9.945 1.00 41.32 H new ATOM 0 HG12 ILE A 423 1.107 -9.261 -7.252 1.00 62.01 H new ATOM 0 HG13 ILE A 423 0.520 -7.908 -8.198 1.00 62.01 H new ATOM 0 HG21 ILE A 423 -0.733 -11.392 -8.476 1.00 41.23 H new ATOM 0 HG22 ILE A 423 0.312 -11.838 -9.845 1.00 41.23 H new ATOM 0 HG23 ILE A 423 1.016 -11.607 -8.227 1.00 41.23 H new ATOM 0 HD11 ILE A 423 -1.033 -8.455 -6.394 1.00 34.14 H new ATOM 0 HD12 ILE A 423 -1.792 -8.739 -7.979 1.00 34.14 H new ATOM 0 HD13 ILE A 423 -1.196 -10.114 -7.018 1.00 34.14 H new