USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 494 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 342 ASN :FLIP amide:sc= 0.52 F(o=0,f=0.52) USER MOD Single : A 348 SER OG : rot 180:sc= 0 USER MOD Single : A 349 TYR OH : rot 30:sc= 0 USER MOD Single : A 350 SER OG : rot 180:sc= 0.00337 USER MOD Single : A 355 LYS NZ :NH3+ -147:sc= 0.473 (180deg=0.0981) USER MOD Single : A 358 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 359 SER OG : rot -70:sc= 1.28 USER MOD Single : A 360 THR OG1 : rot -48:sc= 0.293 USER MOD Single : A 365 MET CE :methyl 137:sc= -0.0974 (180deg=-1.68) USER MOD Single : A 368 ASN : amide:sc=-0.00623 K(o=-0.0062,f=-2.4!) USER MOD Single : A 371 TYR OH : rot -130:sc= -0.385 USER MOD Single : A 372 ASN : amide:sc= -1.39 X(o=-1.4,f=-0.98) USER MOD Single : A 376 SER OG : rot 84:sc= 0.302 USER MOD Single : A 377 ASN : amide:sc= 1.12 K(o=1.1,f=-0.012) USER MOD Single : A 380 TYR OH : rot 30:sc= 0.844 USER MOD Single : A 383 ASN : amide:sc= -0.0197 X(o=-0.02,f=-0.031) USER MOD Single : A 385 THR OG1 : rot -106:sc= 0.00396 USER MOD Single : A 386 SER OG : rot 180:sc= 0 USER MOD Single : A 387 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 389 GLN :FLIP amide:sc= -0.144 F(o=-1.5!,f=-0.14) USER MOD Single : A 390 SER OG : rot -71:sc= 1.21 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=-0.3) USER MOD Single : A 396 SER OG : rot 180:sc= 0 USER MOD Single : A 399 HIS : no HD1:sc= -0.0157 X(o=-0.016,f=0) USER MOD Single : A 400 ASN : amide:sc= 0.452 X(o=0.45,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 342 -1.442 -15.177 10.678 1.00 34.10 N ATOM 2 CA ASN A 342 -0.960 -13.909 10.105 1.00 25.42 C ATOM 3 C ASN A 342 -1.199 -12.800 11.117 1.00 32.45 C ATOM 4 O ASN A 342 -2.189 -12.836 11.840 1.00 12.33 O ATOM 5 CB ASN A 342 -1.696 -13.573 8.795 1.00 73.43 C ATOM 6 CG ASN A 342 -1.614 -14.674 7.757 1.00 35.24 C ATOM 7 OD1 ASN A 342 -2.615 -15.522 7.734 1.00 13.03 O flip ATOM 8 ND2 ASN A 342 -0.670 -14.744 6.964 1.00 22.21 N flip ATOM 0 HA ASN A 342 0.102 -14.005 9.880 1.00 25.42 H new ATOM 0 HB2 ASN A 342 -2.744 -13.371 9.017 1.00 73.43 H new ATOM 0 HB3 ASN A 342 -1.277 -12.658 8.376 1.00 73.43 H new ATOM 0 HD21 ASN A 342 0.090 -14.065 7.014 1.00 22.21 H new ATOM 0 HD22 ASN A 342 -0.650 -15.481 6.259 1.00 22.21 H new ATOM 17 N PRO A 343 -0.317 -11.779 11.180 1.00 75.32 N ATOM 18 CA PRO A 343 -0.421 -10.690 12.185 1.00 34.52 C ATOM 19 C PRO A 343 -1.683 -9.815 12.012 1.00 23.30 C ATOM 20 O PRO A 343 -2.165 -9.215 12.961 1.00 43.43 O ATOM 21 CB PRO A 343 0.855 -9.860 11.933 1.00 3.22 C ATOM 22 CG PRO A 343 1.189 -10.140 10.511 1.00 52.31 C ATOM 23 CD PRO A 343 0.860 -11.588 10.300 1.00 23.34 C ATOM 0 HA PRO A 343 -0.507 -11.085 13.197 1.00 34.52 H new ATOM 0 HB2 PRO A 343 0.680 -8.797 12.100 1.00 3.22 H new ATOM 0 HB3 PRO A 343 1.664 -10.159 12.600 1.00 3.22 H new ATOM 0 HG2 PRO A 343 0.611 -9.504 9.840 1.00 52.31 H new ATOM 0 HG3 PRO A 343 2.242 -9.943 10.309 1.00 52.31 H new ATOM 0 HD2 PRO A 343 0.627 -11.804 9.257 1.00 23.34 H new ATOM 0 HD3 PRO A 343 1.688 -12.238 10.583 1.00 23.34 H new ATOM 31 N TRP A 344 -2.201 -9.758 10.805 1.00 44.42 N ATOM 32 CA TRP A 344 -3.381 -8.956 10.512 1.00 42.30 C ATOM 33 C TRP A 344 -4.682 -9.733 10.713 1.00 53.21 C ATOM 34 O TRP A 344 -5.713 -9.150 11.061 1.00 54.40 O ATOM 35 CB TRP A 344 -3.308 -8.403 9.084 1.00 11.21 C ATOM 36 CG TRP A 344 -3.044 -9.454 8.041 1.00 21.02 C ATOM 37 CD1 TRP A 344 -3.901 -10.417 7.602 1.00 15.43 C ATOM 38 CD2 TRP A 344 -1.849 -9.625 7.280 1.00 72.41 C ATOM 39 NE1 TRP A 344 -3.296 -11.185 6.675 1.00 41.40 N ATOM 40 CE2 TRP A 344 -2.051 -10.718 6.444 1.00 70.32 C ATOM 41 CE3 TRP A 344 -0.632 -8.972 7.228 1.00 33.14 C ATOM 42 CZ2 TRP A 344 -1.096 -11.165 5.578 1.00 42.25 C ATOM 43 CZ3 TRP A 344 0.317 -9.422 6.358 1.00 44.11 C ATOM 44 CH2 TRP A 344 0.073 -10.506 5.547 1.00 34.00 C ATOM 0 H TRP A 344 -1.824 -10.260 10.001 1.00 44.42 H new ATOM 0 HA TRP A 344 -3.389 -8.129 11.222 1.00 42.30 H new ATOM 0 HB2 TRP A 344 -4.246 -7.900 8.850 1.00 11.21 H new ATOM 0 HB3 TRP A 344 -2.522 -7.650 9.035 1.00 11.21 H new ATOM 0 HD1 TRP A 344 -4.916 -10.546 7.946 1.00 15.43 H new ATOM 0 HE1 TRP A 344 -3.715 -11.995 6.218 1.00 41.40 H new ATOM 0 HE3 TRP A 344 -0.436 -8.122 7.864 1.00 33.14 H new ATOM 0 HZ2 TRP A 344 -1.274 -12.018 4.940 1.00 42.25 H new ATOM 0 HZ3 TRP A 344 1.272 -8.921 6.305 1.00 44.11 H new ATOM 0 HH2 TRP A 344 0.844 -10.836 4.866 1.00 34.00 H new ATOM 55 N GLY A 345 -4.635 -11.031 10.498 1.00 25.11 N ATOM 56 CA GLY A 345 -5.819 -11.825 10.592 1.00 11.22 C ATOM 57 C GLY A 345 -5.677 -13.159 9.892 1.00 70.13 C ATOM 58 O GLY A 345 -4.656 -13.847 10.049 1.00 61.22 O ATOM 0 H GLY A 345 -3.789 -11.547 10.259 1.00 25.11 H new ATOM 0 HA2 GLY A 345 -6.058 -11.993 11.642 1.00 11.22 H new ATOM 0 HA3 GLY A 345 -6.656 -11.277 10.158 1.00 11.22 H new ATOM 62 N ALA A 346 -6.663 -13.493 9.076 1.00 12.42 N ATOM 63 CA ALA A 346 -6.751 -14.804 8.456 1.00 70.34 C ATOM 64 C ALA A 346 -6.227 -14.869 7.019 1.00 73.42 C ATOM 65 O ALA A 346 -5.706 -15.917 6.617 1.00 2.24 O ATOM 66 CB ALA A 346 -8.171 -15.325 8.518 1.00 73.02 C ATOM 0 H ALA A 346 -7.425 -12.863 8.825 1.00 12.42 H new ATOM 0 HA ALA A 346 -6.088 -15.443 9.039 1.00 70.34 H new ATOM 0 HB1 ALA A 346 -8.219 -16.308 8.049 1.00 73.02 H new ATOM 0 HB2 ALA A 346 -8.484 -15.404 9.559 1.00 73.02 H new ATOM 0 HB3 ALA A 346 -8.834 -14.639 7.991 1.00 73.02 H new ATOM 72 N GLU A 347 -6.362 -13.792 6.232 1.00 65.31 N ATOM 73 CA GLU A 347 -5.885 -13.842 4.838 1.00 35.30 C ATOM 74 C GLU A 347 -4.384 -13.938 4.765 1.00 61.34 C ATOM 75 O GLU A 347 -3.696 -13.623 5.717 1.00 54.14 O ATOM 76 CB GLU A 347 -6.393 -12.696 3.955 1.00 71.42 C ATOM 77 CG GLU A 347 -7.885 -12.716 3.701 1.00 73.54 C ATOM 78 CD GLU A 347 -8.301 -11.735 2.630 1.00 3.30 C ATOM 79 OE1 GLU A 347 -8.487 -10.537 2.937 1.00 4.22 O ATOM 80 OE2 GLU A 347 -8.457 -12.151 1.458 1.00 62.14 O ATOM 0 H GLU A 347 -6.780 -12.907 6.519 1.00 65.31 H new ATOM 0 HA GLU A 347 -6.320 -14.754 4.430 1.00 35.30 H new ATOM 0 HB2 GLU A 347 -6.129 -11.748 4.424 1.00 71.42 H new ATOM 0 HB3 GLU A 347 -5.873 -12.733 2.998 1.00 71.42 H new ATOM 0 HG2 GLU A 347 -8.187 -13.721 3.406 1.00 73.54 H new ATOM 0 HG3 GLU A 347 -8.411 -12.484 4.627 1.00 73.54 H new ATOM 87 N SER A 348 -3.884 -14.351 3.642 1.00 43.10 N ATOM 88 CA SER A 348 -2.484 -14.556 3.481 1.00 14.32 C ATOM 89 C SER A 348 -1.821 -13.296 2.978 1.00 60.45 C ATOM 90 O SER A 348 -2.503 -12.344 2.558 1.00 62.20 O ATOM 91 CB SER A 348 -2.247 -15.710 2.519 1.00 51.02 C ATOM 92 OG SER A 348 -2.838 -16.907 3.017 1.00 71.12 O ATOM 0 H SER A 348 -4.439 -14.555 2.811 1.00 43.10 H new ATOM 0 HA SER A 348 -2.044 -14.805 4.447 1.00 14.32 H new ATOM 0 HB2 SER A 348 -2.668 -15.469 1.543 1.00 51.02 H new ATOM 0 HB3 SER A 348 -1.177 -15.858 2.377 1.00 51.02 H new ATOM 0 HG SER A 348 -2.677 -17.639 2.385 1.00 71.12 H new ATOM 98 N TYR A 349 -0.497 -13.285 3.033 1.00 42.34 N ATOM 99 CA TYR A 349 0.294 -12.174 2.564 1.00 12.31 C ATOM 100 C TYR A 349 -0.030 -11.870 1.143 1.00 34.53 C ATOM 101 O TYR A 349 -0.557 -10.821 0.859 1.00 43.43 O ATOM 102 CB TYR A 349 1.797 -12.449 2.737 1.00 4.24 C ATOM 103 CG TYR A 349 2.252 -12.469 4.175 1.00 52.23 C ATOM 104 CD1 TYR A 349 1.909 -13.506 5.035 1.00 14.30 C ATOM 105 CD2 TYR A 349 3.000 -11.425 4.683 1.00 23.30 C ATOM 106 CE1 TYR A 349 2.302 -13.498 6.356 1.00 32.53 C ATOM 107 CE2 TYR A 349 3.390 -11.406 6.006 1.00 32.43 C ATOM 108 CZ TYR A 349 3.037 -12.447 6.836 1.00 45.31 C ATOM 109 OH TYR A 349 3.414 -12.428 8.167 1.00 12.23 O ATOM 0 H TYR A 349 0.055 -14.056 3.408 1.00 42.34 H new ATOM 0 HA TYR A 349 0.047 -11.302 3.169 1.00 12.31 H new ATOM 0 HB2 TYR A 349 2.037 -13.408 2.277 1.00 4.24 H new ATOM 0 HB3 TYR A 349 2.360 -11.687 2.198 1.00 4.24 H new ATOM 0 HD1 TYR A 349 1.324 -14.333 4.661 1.00 14.30 H new ATOM 0 HD2 TYR A 349 3.284 -10.610 4.034 1.00 23.30 H new ATOM 0 HE1 TYR A 349 2.032 -14.315 7.008 1.00 32.53 H new ATOM 0 HE2 TYR A 349 3.969 -10.579 6.389 1.00 32.43 H new ATOM 0 HH TYR A 349 3.522 -13.347 8.490 1.00 12.23 H new ATOM 119 N SER A 350 0.240 -12.810 0.260 1.00 72.11 N ATOM 120 CA SER A 350 -0.038 -12.638 -1.161 1.00 21.11 C ATOM 121 C SER A 350 -1.501 -12.221 -1.438 1.00 11.53 C ATOM 122 O SER A 350 -1.757 -11.422 -2.346 1.00 12.41 O ATOM 123 CB SER A 350 0.351 -13.899 -1.909 1.00 52.00 C ATOM 124 OG SER A 350 -0.143 -15.044 -1.237 1.00 55.42 O ATOM 0 H SER A 350 0.655 -13.710 0.499 1.00 72.11 H new ATOM 0 HA SER A 350 0.569 -11.811 -1.529 1.00 21.11 H new ATOM 0 HB2 SER A 350 -0.047 -13.865 -2.923 1.00 52.00 H new ATOM 0 HB3 SER A 350 1.436 -13.959 -1.994 1.00 52.00 H new ATOM 0 HG SER A 350 0.114 -15.850 -1.732 1.00 55.42 H new ATOM 130 N ASP A 351 -2.435 -12.731 -0.627 1.00 63.21 N ATOM 131 CA ASP A 351 -3.846 -12.340 -0.732 1.00 3.23 C ATOM 132 C ASP A 351 -4.023 -10.850 -0.506 1.00 21.15 C ATOM 133 O ASP A 351 -4.628 -10.156 -1.328 1.00 70.20 O ATOM 134 CB ASP A 351 -4.729 -13.136 0.245 1.00 75.31 C ATOM 135 CG ASP A 351 -4.943 -14.562 -0.182 1.00 23.33 C ATOM 136 OD1 ASP A 351 -4.027 -15.384 -0.026 1.00 64.01 O ATOM 137 OD2 ASP A 351 -6.041 -14.874 -0.698 1.00 15.33 O ATOM 0 H ASP A 351 -2.241 -13.413 0.106 1.00 63.21 H new ATOM 0 HA ASP A 351 -4.167 -12.575 -1.747 1.00 3.23 H new ATOM 0 HB2 ASP A 351 -4.269 -13.124 1.233 1.00 75.31 H new ATOM 0 HB3 ASP A 351 -5.696 -12.641 0.337 1.00 75.31 H new ATOM 142 N LEU A 352 -3.493 -10.349 0.592 1.00 33.31 N ATOM 143 CA LEU A 352 -3.579 -8.935 0.880 1.00 34.42 C ATOM 144 C LEU A 352 -2.661 -8.087 -0.003 1.00 74.01 C ATOM 145 O LEU A 352 -3.007 -6.958 -0.344 1.00 61.24 O ATOM 146 CB LEU A 352 -3.318 -8.638 2.333 1.00 32.14 C ATOM 147 CG LEU A 352 -4.330 -9.139 3.353 1.00 33.11 C ATOM 148 CD1 LEU A 352 -3.976 -8.589 4.689 1.00 14.54 C ATOM 149 CD2 LEU A 352 -5.733 -8.736 2.977 1.00 54.22 C ATOM 0 H LEU A 352 -3.000 -10.899 1.296 1.00 33.31 H new ATOM 0 HA LEU A 352 -4.606 -8.655 0.647 1.00 34.42 H new ATOM 0 HB2 LEU A 352 -2.346 -9.058 2.591 1.00 32.14 H new ATOM 0 HB3 LEU A 352 -3.237 -7.557 2.445 1.00 32.14 H new ATOM 0 HG LEU A 352 -4.299 -10.228 3.377 1.00 33.11 H new ATOM 0 HD11 LEU A 352 -4.694 -8.941 5.429 1.00 14.54 H new ATOM 0 HD12 LEU A 352 -2.976 -8.922 4.966 1.00 14.54 H new ATOM 0 HD13 LEU A 352 -3.998 -7.500 4.652 1.00 14.54 H new ATOM 0 HD21 LEU A 352 -6.432 -9.109 3.726 1.00 54.22 H new ATOM 0 HD22 LEU A 352 -5.799 -7.649 2.929 1.00 54.22 H new ATOM 0 HD23 LEU A 352 -5.984 -9.158 2.004 1.00 54.22 H new ATOM 161 N ILE A 353 -1.503 -8.623 -0.366 1.00 65.12 N ATOM 162 CA ILE A 353 -0.561 -7.905 -1.234 1.00 44.34 C ATOM 163 C ILE A 353 -1.216 -7.623 -2.577 1.00 14.31 C ATOM 164 O ILE A 353 -1.069 -6.537 -3.133 1.00 11.31 O ATOM 165 CB ILE A 353 0.770 -8.692 -1.431 1.00 42.03 C ATOM 166 CG1 ILE A 353 1.459 -8.901 -0.072 1.00 65.14 C ATOM 167 CG2 ILE A 353 1.700 -7.949 -2.390 1.00 52.32 C ATOM 168 CD1 ILE A 353 2.640 -9.827 -0.108 1.00 70.40 C ATOM 0 H ILE A 353 -1.188 -9.549 -0.077 1.00 65.12 H new ATOM 0 HA ILE A 353 -0.307 -6.964 -0.747 1.00 44.34 H new ATOM 0 HB ILE A 353 0.540 -9.664 -1.866 1.00 42.03 H new ATOM 0 HG12 ILE A 353 1.784 -7.933 0.309 1.00 65.14 H new ATOM 0 HG13 ILE A 353 0.728 -9.293 0.635 1.00 65.14 H new ATOM 0 HG21 ILE A 353 2.623 -8.515 -2.514 1.00 52.32 H new ATOM 0 HG22 ILE A 353 1.211 -7.837 -3.358 1.00 52.32 H new ATOM 0 HG23 ILE A 353 1.930 -6.964 -1.984 1.00 52.32 H new ATOM 0 HD11 ILE A 353 3.063 -9.916 0.892 1.00 70.40 H new ATOM 0 HD12 ILE A 353 2.321 -10.810 -0.456 1.00 70.40 H new ATOM 0 HD13 ILE A 353 3.394 -9.429 -0.787 1.00 70.40 H new ATOM 180 N ALA A 354 -1.959 -8.598 -3.084 1.00 44.33 N ATOM 181 CA ALA A 354 -2.706 -8.392 -4.314 1.00 61.41 C ATOM 182 C ALA A 354 -3.722 -7.258 -4.151 1.00 41.50 C ATOM 183 O ALA A 354 -3.896 -6.467 -5.053 1.00 54.13 O ATOM 184 CB ALA A 354 -3.376 -9.661 -4.810 1.00 30.23 C ATOM 0 H ALA A 354 -2.059 -9.525 -2.669 1.00 44.33 H new ATOM 0 HA ALA A 354 -1.985 -8.103 -5.078 1.00 61.41 H new ATOM 0 HB1 ALA A 354 -3.920 -9.449 -5.731 1.00 30.23 H new ATOM 0 HB2 ALA A 354 -2.619 -10.421 -5.002 1.00 30.23 H new ATOM 0 HB3 ALA A 354 -4.071 -10.025 -4.054 1.00 30.23 H new ATOM 190 N LYS A 355 -4.374 -7.171 -2.969 1.00 23.41 N ATOM 191 CA LYS A 355 -5.319 -6.064 -2.692 1.00 63.45 C ATOM 192 C LYS A 355 -4.604 -4.731 -2.765 1.00 11.40 C ATOM 193 O LYS A 355 -5.154 -3.742 -3.287 1.00 12.23 O ATOM 194 CB LYS A 355 -5.981 -6.167 -1.312 1.00 12.03 C ATOM 195 CG LYS A 355 -6.888 -7.315 -1.089 1.00 52.42 C ATOM 196 CD LYS A 355 -7.518 -7.155 0.269 1.00 12.42 C ATOM 197 CE LYS A 355 -8.755 -7.973 0.408 1.00 70.44 C ATOM 198 NZ LYS A 355 -8.531 -9.443 0.336 1.00 21.11 N ATOM 0 H LYS A 355 -4.267 -7.839 -2.206 1.00 23.41 H new ATOM 0 HA LYS A 355 -6.096 -6.139 -3.453 1.00 63.45 H new ATOM 0 HB2 LYS A 355 -5.193 -6.206 -0.560 1.00 12.03 H new ATOM 0 HB3 LYS A 355 -6.544 -5.250 -1.137 1.00 12.03 H new ATOM 0 HG2 LYS A 355 -7.655 -7.350 -1.863 1.00 52.42 H new ATOM 0 HG3 LYS A 355 -6.336 -8.253 -1.144 1.00 52.42 H new ATOM 0 HD2 LYS A 355 -6.802 -7.446 1.038 1.00 12.42 H new ATOM 0 HD3 LYS A 355 -7.757 -6.105 0.437 1.00 12.42 H new ATOM 0 HE2 LYS A 355 -9.228 -7.736 1.361 1.00 70.44 H new ATOM 0 HE3 LYS A 355 -9.456 -7.686 -0.376 1.00 70.44 H new ATOM 0 HZ1 LYS A 355 -9.354 -9.898 -0.108 1.00 21.11 H new ATOM 0 HZ2 LYS A 355 -7.681 -9.637 -0.230 1.00 21.11 H new ATOM 0 HZ3 LYS A 355 -8.402 -9.822 1.296 1.00 21.11 H new ATOM 212 N ALA A 356 -3.389 -4.704 -2.233 1.00 3.24 N ATOM 213 CA ALA A 356 -2.566 -3.518 -2.263 1.00 61.02 C ATOM 214 C ALA A 356 -2.318 -3.125 -3.697 1.00 33.20 C ATOM 215 O ALA A 356 -2.599 -1.991 -4.101 1.00 45.21 O ATOM 216 CB ALA A 356 -1.250 -3.755 -1.521 1.00 41.21 C ATOM 0 H ALA A 356 -2.954 -5.503 -1.772 1.00 3.24 H new ATOM 0 HA ALA A 356 -3.084 -2.704 -1.756 1.00 61.02 H new ATOM 0 HB1 ALA A 356 -0.645 -2.849 -1.555 1.00 41.21 H new ATOM 0 HB2 ALA A 356 -1.459 -4.012 -0.483 1.00 41.21 H new ATOM 0 HB3 ALA A 356 -0.707 -4.573 -1.995 1.00 41.21 H new ATOM 222 N LEU A 357 -1.852 -4.078 -4.473 1.00 22.53 N ATOM 223 CA LEU A 357 -1.629 -3.883 -5.894 1.00 70.12 C ATOM 224 C LEU A 357 -2.884 -3.401 -6.596 1.00 43.12 C ATOM 225 O LEU A 357 -2.830 -2.482 -7.382 1.00 54.14 O ATOM 226 CB LEU A 357 -1.082 -5.162 -6.554 1.00 72.03 C ATOM 227 CG LEU A 357 0.440 -5.350 -6.557 1.00 64.31 C ATOM 228 CD1 LEU A 357 1.060 -4.320 -7.471 1.00 61.54 C ATOM 229 CD2 LEU A 357 1.028 -5.216 -5.156 1.00 71.43 C ATOM 0 H LEU A 357 -1.616 -5.012 -4.139 1.00 22.53 H new ATOM 0 HA LEU A 357 -0.875 -3.103 -5.999 1.00 70.12 H new ATOM 0 HB2 LEU A 357 -1.528 -6.020 -6.051 1.00 72.03 H new ATOM 0 HB3 LEU A 357 -1.428 -5.184 -7.588 1.00 72.03 H new ATOM 0 HG LEU A 357 0.661 -6.356 -6.912 1.00 64.31 H new ATOM 0 HD11 LEU A 357 2.143 -4.446 -7.480 1.00 61.54 H new ATOM 0 HD12 LEU A 357 0.672 -4.449 -8.481 1.00 61.54 H new ATOM 0 HD13 LEU A 357 0.814 -3.320 -7.113 1.00 61.54 H new ATOM 0 HD21 LEU A 357 2.108 -5.356 -5.200 1.00 71.43 H new ATOM 0 HD22 LEU A 357 0.806 -4.224 -4.762 1.00 71.43 H new ATOM 0 HD23 LEU A 357 0.591 -5.972 -4.504 1.00 71.43 H new ATOM 241 N LYS A 358 -4.017 -3.998 -6.258 1.00 0.40 N ATOM 242 CA LYS A 358 -5.300 -3.645 -6.837 1.00 35.14 C ATOM 243 C LYS A 358 -5.675 -2.160 -6.689 1.00 20.34 C ATOM 244 O LYS A 358 -6.444 -1.642 -7.491 1.00 14.25 O ATOM 245 CB LYS A 358 -6.417 -4.527 -6.285 1.00 21.10 C ATOM 246 CG LYS A 358 -6.348 -5.980 -6.724 1.00 21.22 C ATOM 247 CD LYS A 358 -7.528 -6.791 -6.199 1.00 41.43 C ATOM 248 CE LYS A 358 -8.849 -6.256 -6.732 1.00 73.41 C ATOM 249 NZ LYS A 358 -10.004 -7.053 -6.279 1.00 54.10 N ATOM 0 H LYS A 358 -4.070 -4.747 -5.568 1.00 0.40 H new ATOM 0 HA LYS A 358 -5.186 -3.825 -7.906 1.00 35.14 H new ATOM 0 HB2 LYS A 358 -6.389 -4.488 -5.196 1.00 21.10 H new ATOM 0 HB3 LYS A 358 -7.376 -4.112 -6.594 1.00 21.10 H new ATOM 0 HG2 LYS A 358 -6.330 -6.029 -7.813 1.00 21.22 H new ATOM 0 HG3 LYS A 358 -5.417 -6.422 -6.369 1.00 21.22 H new ATOM 0 HD2 LYS A 358 -7.412 -7.835 -6.490 1.00 41.43 H new ATOM 0 HD3 LYS A 358 -7.535 -6.763 -5.109 1.00 41.43 H new ATOM 0 HE2 LYS A 358 -8.976 -5.223 -6.409 1.00 73.41 H new ATOM 0 HE3 LYS A 358 -8.821 -6.249 -7.822 1.00 73.41 H new ATOM 0 HZ1 LYS A 358 -10.879 -6.648 -6.669 1.00 54.10 H new ATOM 0 HZ2 LYS A 358 -9.900 -8.034 -6.608 1.00 54.10 H new ATOM 0 HZ3 LYS A 358 -10.049 -7.040 -5.240 1.00 54.10 H new ATOM 263 N SER A 359 -5.120 -1.470 -5.699 1.00 20.03 N ATOM 264 CA SER A 359 -5.474 -0.064 -5.491 1.00 22.43 C ATOM 265 C SER A 359 -4.729 0.872 -6.474 1.00 51.23 C ATOM 266 O SER A 359 -4.987 2.078 -6.521 1.00 43.03 O ATOM 267 CB SER A 359 -5.228 0.362 -4.027 1.00 3.15 C ATOM 268 OG SER A 359 -3.852 0.274 -3.659 1.00 13.21 O ATOM 0 H SER A 359 -4.439 -1.846 -5.040 1.00 20.03 H new ATOM 0 HA SER A 359 -6.540 0.032 -5.698 1.00 22.43 H new ATOM 0 HB2 SER A 359 -5.574 1.386 -3.886 1.00 3.15 H new ATOM 0 HB3 SER A 359 -5.820 -0.269 -3.364 1.00 3.15 H new ATOM 0 HG SER A 359 -3.588 -0.668 -3.602 1.00 13.21 H new ATOM 274 N THR A 360 -3.823 0.312 -7.252 1.00 52.43 N ATOM 275 CA THR A 360 -3.029 1.077 -8.189 1.00 12.23 C ATOM 276 C THR A 360 -2.536 0.102 -9.282 1.00 34.12 C ATOM 277 O THR A 360 -1.486 0.282 -9.897 1.00 63.41 O ATOM 278 CB THR A 360 -1.819 1.701 -7.422 1.00 21.11 C ATOM 279 OG1 THR A 360 -1.071 2.581 -8.259 1.00 41.22 O ATOM 280 CG2 THR A 360 -0.903 0.616 -6.912 1.00 12.12 C ATOM 0 H THR A 360 -3.618 -0.687 -7.251 1.00 52.43 H new ATOM 0 HA THR A 360 -3.605 1.882 -8.645 1.00 12.23 H new ATOM 0 HB THR A 360 -2.224 2.269 -6.584 1.00 21.11 H new ATOM 0 HG1 THR A 360 -0.891 2.142 -9.117 1.00 41.22 H new ATOM 0 HG21 THR A 360 -0.065 1.067 -6.380 1.00 12.12 H new ATOM 0 HG22 THR A 360 -1.454 -0.037 -6.235 1.00 12.12 H new ATOM 0 HG23 THR A 360 -0.527 0.032 -7.752 1.00 12.12 H new ATOM 288 N PHE A 361 -3.383 -0.873 -9.572 1.00 11.43 N ATOM 289 CA PHE A 361 -3.047 -2.009 -10.440 1.00 21.00 C ATOM 290 C PHE A 361 -2.817 -1.541 -11.872 1.00 2.52 C ATOM 291 O PHE A 361 -2.233 -2.244 -12.689 1.00 34.22 O ATOM 292 CB PHE A 361 -4.189 -3.018 -10.388 1.00 5.54 C ATOM 293 CG PHE A 361 -3.783 -4.453 -10.603 1.00 74.12 C ATOM 294 CD1 PHE A 361 -3.353 -5.214 -9.524 1.00 23.34 C ATOM 295 CD2 PHE A 361 -3.858 -5.052 -11.851 1.00 60.34 C ATOM 296 CE1 PHE A 361 -3.001 -6.530 -9.672 1.00 13.35 C ATOM 297 CE2 PHE A 361 -3.500 -6.379 -12.014 1.00 70.22 C ATOM 298 CZ PHE A 361 -3.073 -7.119 -10.921 1.00 62.10 C ATOM 0 H PHE A 361 -4.336 -0.905 -9.211 1.00 11.43 H new ATOM 0 HA PHE A 361 -2.126 -2.475 -10.090 1.00 21.00 H new ATOM 0 HB2 PHE A 361 -4.681 -2.937 -9.419 1.00 5.54 H new ATOM 0 HB3 PHE A 361 -4.927 -2.748 -11.144 1.00 5.54 H new ATOM 0 HD1 PHE A 361 -3.295 -4.759 -8.546 1.00 23.34 H new ATOM 0 HD2 PHE A 361 -4.198 -4.480 -12.701 1.00 60.34 H new ATOM 0 HE1 PHE A 361 -2.670 -7.103 -8.819 1.00 13.35 H new ATOM 0 HE2 PHE A 361 -3.553 -6.838 -12.990 1.00 70.22 H new ATOM 0 HZ PHE A 361 -2.797 -8.156 -11.046 1.00 62.10 H new ATOM 308 N ASP A 362 -3.266 -0.340 -12.150 1.00 13.22 N ATOM 309 CA ASP A 362 -3.122 0.257 -13.474 1.00 2.41 C ATOM 310 C ASP A 362 -1.725 0.839 -13.635 1.00 72.55 C ATOM 311 O ASP A 362 -1.294 1.174 -14.750 1.00 14.54 O ATOM 312 CB ASP A 362 -4.166 1.359 -13.686 1.00 73.14 C ATOM 313 CG ASP A 362 -4.019 2.501 -12.706 1.00 10.10 C ATOM 314 OD1 ASP A 362 -4.518 2.388 -11.571 1.00 12.15 O ATOM 315 OD2 ASP A 362 -3.409 3.522 -13.048 1.00 32.42 O ATOM 0 H ASP A 362 -3.741 0.257 -11.473 1.00 13.22 H new ATOM 0 HA ASP A 362 -3.277 -0.522 -14.220 1.00 2.41 H new ATOM 0 HB2 ASP A 362 -4.080 1.745 -14.702 1.00 73.14 H new ATOM 0 HB3 ASP A 362 -5.164 0.931 -13.591 1.00 73.14 H new ATOM 320 N GLY A 363 -1.017 0.929 -12.537 1.00 52.04 N ATOM 321 CA GLY A 363 0.323 1.407 -12.532 1.00 14.45 C ATOM 322 C GLY A 363 1.211 0.373 -11.909 1.00 72.11 C ATOM 323 O GLY A 363 1.446 -0.687 -12.505 1.00 1.45 O ATOM 0 H GLY A 363 -1.368 0.667 -11.616 1.00 52.04 H new ATOM 0 HA2 GLY A 363 0.650 1.619 -13.550 1.00 14.45 H new ATOM 0 HA3 GLY A 363 0.387 2.342 -11.975 1.00 14.45 H new ATOM 327 N ARG A 364 1.685 0.644 -10.721 1.00 50.15 N ATOM 328 CA ARG A 364 2.508 -0.295 -10.005 1.00 72.02 C ATOM 329 C ARG A 364 2.520 0.047 -8.555 1.00 0.34 C ATOM 330 O ARG A 364 2.108 1.139 -8.170 1.00 2.14 O ATOM 331 CB ARG A 364 3.987 -0.344 -10.489 1.00 23.44 C ATOM 332 CG ARG A 364 4.923 0.847 -10.106 1.00 33.21 C ATOM 333 CD ARG A 364 4.885 2.059 -11.051 1.00 43.23 C ATOM 334 NE ARG A 364 3.645 2.827 -11.068 1.00 3.30 N ATOM 335 CZ ARG A 364 3.373 3.772 -11.991 1.00 64.52 C ATOM 336 NH1 ARG A 364 4.265 4.045 -12.951 1.00 53.32 N ATOM 337 NH2 ARG A 364 2.237 4.447 -11.940 1.00 71.13 N ATOM 0 H ARG A 364 1.512 1.518 -10.224 1.00 50.15 H new ATOM 0 HA ARG A 364 2.064 -1.272 -10.195 1.00 72.02 H new ATOM 0 HB2 ARG A 364 4.435 -1.259 -10.102 1.00 23.44 H new ATOM 0 HB3 ARG A 364 3.980 -0.428 -11.576 1.00 23.44 H new ATOM 0 HG2 ARG A 364 4.659 1.184 -9.103 1.00 33.21 H new ATOM 0 HG3 ARG A 364 5.948 0.479 -10.059 1.00 33.21 H new ATOM 0 HD2 ARG A 364 5.699 2.730 -10.779 1.00 43.23 H new ATOM 0 HD3 ARG A 364 5.085 1.709 -12.064 1.00 43.23 H new ATOM 0 HE ARG A 364 2.949 2.640 -10.346 1.00 3.30 H new ATOM 0 HH11 ARG A 364 5.150 3.538 -12.984 1.00 53.32 H new ATOM 0 HH12 ARG A 364 4.060 4.760 -13.649 1.00 53.32 H new ATOM 0 HH21 ARG A 364 1.562 4.254 -11.200 1.00 71.13 H new ATOM 0 HH22 ARG A 364 2.036 5.161 -12.640 1.00 71.13 H new ATOM 351 N MET A 365 2.992 -0.856 -7.768 1.00 23.35 N ATOM 352 CA MET A 365 3.282 -0.560 -6.413 1.00 43.41 C ATOM 353 C MET A 365 4.728 -0.581 -6.202 1.00 23.53 C ATOM 354 O MET A 365 5.468 -1.191 -6.964 1.00 53.14 O ATOM 355 CB MET A 365 2.589 -1.435 -5.375 1.00 43.43 C ATOM 356 CG MET A 365 1.387 -0.767 -4.789 1.00 14.14 C ATOM 357 SD MET A 365 0.797 -1.535 -3.292 1.00 31.21 S ATOM 358 CE MET A 365 -0.340 -0.266 -2.766 1.00 5.25 C ATOM 0 H MET A 365 3.187 -1.818 -8.047 1.00 23.35 H new ATOM 0 HA MET A 365 2.870 0.436 -6.250 1.00 43.41 H new ATOM 0 HB2 MET A 365 2.291 -2.377 -5.836 1.00 43.43 H new ATOM 0 HB3 MET A 365 3.292 -1.678 -4.579 1.00 43.43 H new ATOM 0 HG2 MET A 365 1.627 0.276 -4.581 1.00 14.14 H new ATOM 0 HG3 MET A 365 0.585 -0.769 -5.528 1.00 14.14 H new ATOM 0 HE1 MET A 365 -1.264 -0.727 -2.416 1.00 5.25 H new ATOM 0 HE2 MET A 365 0.107 0.310 -1.956 1.00 5.25 H new ATOM 0 HE3 MET A 365 -0.560 0.396 -3.604 1.00 5.25 H new ATOM 368 N ARG A 366 5.153 0.135 -5.242 1.00 10.34 N ATOM 369 CA ARG A 366 6.529 0.106 -4.877 1.00 23.44 C ATOM 370 C ARG A 366 6.636 -0.866 -3.732 1.00 55.03 C ATOM 371 O ARG A 366 5.650 -1.055 -3.013 1.00 52.41 O ATOM 372 CB ARG A 366 7.078 1.506 -4.476 1.00 14.44 C ATOM 373 CG ARG A 366 7.032 2.594 -5.572 1.00 71.11 C ATOM 374 CD ARG A 366 5.608 2.973 -5.937 1.00 34.02 C ATOM 375 NE ARG A 366 5.513 4.019 -6.950 1.00 52.25 N ATOM 376 CZ ARG A 366 4.359 4.592 -7.319 1.00 10.12 C ATOM 377 NH1 ARG A 366 3.205 4.169 -6.805 1.00 43.04 N ATOM 378 NH2 ARG A 366 4.361 5.569 -8.208 1.00 44.14 N ATOM 0 H ARG A 366 4.571 0.758 -4.682 1.00 10.34 H new ATOM 0 HA ARG A 366 7.136 -0.201 -5.729 1.00 23.44 H new ATOM 0 HB2 ARG A 366 6.513 1.862 -3.615 1.00 14.44 H new ATOM 0 HB3 ARG A 366 8.112 1.389 -4.152 1.00 14.44 H new ATOM 0 HG2 ARG A 366 7.566 3.479 -5.227 1.00 71.11 H new ATOM 0 HG3 ARG A 366 7.551 2.235 -6.461 1.00 71.11 H new ATOM 0 HD2 ARG A 366 5.087 2.085 -6.296 1.00 34.02 H new ATOM 0 HD3 ARG A 366 5.089 3.304 -5.037 1.00 34.02 H new ATOM 0 HE ARG A 366 6.372 4.331 -7.402 1.00 52.25 H new ATOM 0 HH11 ARG A 366 3.197 3.406 -6.128 1.00 43.04 H new ATOM 0 HH12 ARG A 366 2.329 4.608 -7.089 1.00 43.04 H new ATOM 0 HH21 ARG A 366 5.241 5.887 -8.614 1.00 44.14 H new ATOM 0 HH22 ARG A 366 3.483 6.005 -8.489 1.00 44.14 H new ATOM 392 N LEU A 367 7.787 -1.483 -3.565 1.00 53.42 N ATOM 393 CA LEU A 367 7.994 -2.471 -2.499 1.00 50.23 C ATOM 394 C LEU A 367 7.587 -1.826 -1.139 1.00 42.12 C ATOM 395 O LEU A 367 6.814 -2.401 -0.367 1.00 14.03 O ATOM 396 CB LEU A 367 9.502 -2.914 -2.513 1.00 71.24 C ATOM 397 CG LEU A 367 9.994 -4.117 -1.651 1.00 21.42 C ATOM 398 CD1 LEU A 367 9.507 -4.119 -0.241 1.00 55.24 C ATOM 399 CD2 LEU A 367 9.807 -5.444 -2.349 1.00 11.13 C ATOM 0 H LEU A 367 8.605 -1.324 -4.153 1.00 53.42 H new ATOM 0 HA LEU A 367 7.379 -3.358 -2.650 1.00 50.23 H new ATOM 0 HB2 LEU A 367 9.760 -3.137 -3.548 1.00 71.24 H new ATOM 0 HB3 LEU A 367 10.092 -2.047 -2.217 1.00 71.24 H new ATOM 0 HG LEU A 367 11.069 -3.965 -1.554 1.00 21.42 H new ATOM 0 HD11 LEU A 367 9.901 -4.992 0.279 1.00 55.24 H new ATOM 0 HD12 LEU A 367 9.846 -3.214 0.262 1.00 55.24 H new ATOM 0 HD13 LEU A 367 8.418 -4.152 -0.232 1.00 55.24 H new ATOM 0 HD21 LEU A 367 10.166 -6.247 -1.705 1.00 11.13 H new ATOM 0 HD22 LEU A 367 8.749 -5.596 -2.564 1.00 11.13 H new ATOM 0 HD23 LEU A 367 10.371 -5.447 -3.282 1.00 11.13 H new ATOM 411 N ASN A 368 8.072 -0.610 -0.896 1.00 61.15 N ATOM 412 CA ASN A 368 7.764 0.107 0.350 1.00 63.42 C ATOM 413 C ASN A 368 6.302 0.564 0.406 1.00 60.13 C ATOM 414 O ASN A 368 5.712 0.655 1.480 1.00 72.50 O ATOM 415 CB ASN A 368 8.719 1.296 0.602 1.00 51.21 C ATOM 416 CG ASN A 368 8.579 2.438 -0.402 1.00 35.30 C ATOM 417 OD1 ASN A 368 8.220 2.237 -1.562 1.00 1.41 O ATOM 418 ND2 ASN A 368 8.869 3.637 0.040 1.00 52.24 N ATOM 0 H ASN A 368 8.677 -0.099 -1.539 1.00 61.15 H new ATOM 0 HA ASN A 368 7.921 -0.612 1.154 1.00 63.42 H new ATOM 0 HB2 ASN A 368 8.540 1.685 1.604 1.00 51.21 H new ATOM 0 HB3 ASN A 368 9.746 0.933 0.580 1.00 51.21 H new ATOM 0 HD21 ASN A 368 8.800 4.441 -0.584 1.00 52.24 H new ATOM 0 HD22 ASN A 368 9.163 3.766 1.008 1.00 52.24 H new ATOM 425 N GLU A 369 5.723 0.836 -0.747 1.00 72.25 N ATOM 426 CA GLU A 369 4.387 1.259 -0.858 1.00 32.41 C ATOM 427 C GLU A 369 3.409 0.164 -0.416 1.00 60.11 C ATOM 428 O GLU A 369 2.322 0.460 0.113 1.00 71.40 O ATOM 429 CB GLU A 369 4.142 1.700 -2.271 1.00 71.00 C ATOM 430 CG GLU A 369 2.770 2.131 -2.499 1.00 15.13 C ATOM 431 CD GLU A 369 2.557 2.755 -3.832 1.00 42.24 C ATOM 432 OE1 GLU A 369 2.877 2.143 -4.848 1.00 65.32 O ATOM 433 OE2 GLU A 369 2.043 3.874 -3.875 1.00 24.41 O ATOM 0 H GLU A 369 6.203 0.759 -1.644 1.00 72.25 H new ATOM 0 HA GLU A 369 4.213 2.101 -0.188 1.00 32.41 H new ATOM 0 HB2 GLU A 369 4.820 2.518 -2.514 1.00 71.00 H new ATOM 0 HB3 GLU A 369 4.377 0.879 -2.949 1.00 71.00 H new ATOM 0 HG2 GLU A 369 2.107 1.272 -2.399 1.00 15.13 H new ATOM 0 HG3 GLU A 369 2.488 2.844 -1.724 1.00 15.13 H new ATOM 440 N ILE A 370 3.801 -1.077 -0.628 1.00 2.23 N ATOM 441 CA ILE A 370 3.032 -2.228 -0.165 1.00 42.33 C ATOM 442 C ILE A 370 2.917 -2.168 1.348 1.00 50.33 C ATOM 443 O ILE A 370 1.834 -2.326 1.905 1.00 52.13 O ATOM 444 CB ILE A 370 3.710 -3.554 -0.604 1.00 41.00 C ATOM 445 CG1 ILE A 370 3.762 -3.621 -2.134 1.00 42.11 C ATOM 446 CG2 ILE A 370 2.990 -4.785 -0.016 1.00 44.53 C ATOM 447 CD1 ILE A 370 4.481 -4.821 -2.673 1.00 44.32 C ATOM 0 H ILE A 370 4.658 -1.321 -1.124 1.00 2.23 H new ATOM 0 HA ILE A 370 2.037 -2.199 -0.609 1.00 42.33 H new ATOM 0 HB ILE A 370 4.727 -3.568 -0.213 1.00 41.00 H new ATOM 0 HG12 ILE A 370 2.743 -3.618 -2.521 1.00 42.11 H new ATOM 0 HG13 ILE A 370 4.249 -2.721 -2.509 1.00 42.11 H new ATOM 0 HG21 ILE A 370 3.494 -5.693 -0.346 1.00 44.53 H new ATOM 0 HG22 ILE A 370 3.011 -4.733 1.073 1.00 44.53 H new ATOM 0 HG23 ILE A 370 1.955 -4.799 -0.359 1.00 44.53 H new ATOM 0 HD11 ILE A 370 4.472 -4.792 -3.763 1.00 44.32 H new ATOM 0 HD12 ILE A 370 5.512 -4.817 -2.318 1.00 44.32 H new ATOM 0 HD13 ILE A 370 3.983 -5.728 -2.330 1.00 44.32 H new ATOM 459 N TYR A 371 4.036 -1.886 1.999 1.00 31.14 N ATOM 460 CA TYR A 371 4.066 -1.732 3.453 1.00 22.12 C ATOM 461 C TYR A 371 3.151 -0.601 3.899 1.00 31.51 C ATOM 462 O TYR A 371 2.465 -0.699 4.924 1.00 1.12 O ATOM 463 CB TYR A 371 5.484 -1.459 3.948 1.00 55.23 C ATOM 464 CG TYR A 371 6.472 -2.538 3.630 1.00 31.23 C ATOM 465 CD1 TYR A 371 6.222 -3.850 3.958 1.00 44.03 C ATOM 466 CD2 TYR A 371 7.667 -2.238 3.022 1.00 13.21 C ATOM 467 CE1 TYR A 371 7.134 -4.830 3.675 1.00 71.42 C ATOM 468 CE2 TYR A 371 8.589 -3.214 2.731 1.00 24.54 C ATOM 469 CZ TYR A 371 8.313 -4.510 3.057 1.00 35.40 C ATOM 470 OH TYR A 371 9.221 -5.490 2.772 1.00 5.33 O ATOM 0 H TYR A 371 4.940 -1.758 1.545 1.00 31.14 H new ATOM 0 HA TYR A 371 3.714 -2.669 3.885 1.00 22.12 H new ATOM 0 HB2 TYR A 371 5.834 -0.524 3.511 1.00 55.23 H new ATOM 0 HB3 TYR A 371 5.457 -1.316 5.028 1.00 55.23 H new ATOM 0 HD1 TYR A 371 5.294 -4.110 4.445 1.00 44.03 H new ATOM 0 HD2 TYR A 371 7.886 -1.212 2.767 1.00 13.21 H new ATOM 0 HE1 TYR A 371 6.924 -5.856 3.939 1.00 71.42 H new ATOM 0 HE2 TYR A 371 9.521 -2.958 2.250 1.00 24.54 H new ATOM 0 HH TYR A 371 10.106 -5.221 3.096 1.00 5.33 H new ATOM 480 N ASN A 372 3.141 0.458 3.123 1.00 4.50 N ATOM 481 CA ASN A 372 2.309 1.626 3.411 1.00 41.03 C ATOM 482 C ASN A 372 0.832 1.258 3.378 1.00 1.22 C ATOM 483 O ASN A 372 0.050 1.745 4.194 1.00 72.05 O ATOM 484 CB ASN A 372 2.575 2.780 2.425 1.00 73.22 C ATOM 485 CG ASN A 372 3.996 3.318 2.467 1.00 60.35 C ATOM 486 OD1 ASN A 372 4.669 3.285 3.496 1.00 52.12 O ATOM 487 ND2 ASN A 372 4.459 3.840 1.349 1.00 45.21 N ATOM 0 H ASN A 372 3.703 0.544 2.276 1.00 4.50 H new ATOM 0 HA ASN A 372 2.576 1.966 4.412 1.00 41.03 H new ATOM 0 HB2 ASN A 372 2.358 2.437 1.414 1.00 73.22 H new ATOM 0 HB3 ASN A 372 1.883 3.594 2.641 1.00 73.22 H new ATOM 0 HD21 ASN A 372 5.400 4.232 1.321 1.00 45.21 H new ATOM 0 HD22 ASN A 372 3.876 3.852 0.512 1.00 45.21 H new ATOM 494 N TRP A 373 0.461 0.369 2.446 1.00 62.23 N ATOM 495 CA TRP A 373 -0.922 -0.072 2.294 1.00 54.40 C ATOM 496 C TRP A 373 -1.404 -0.734 3.565 1.00 34.02 C ATOM 497 O TRP A 373 -2.463 -0.392 4.084 1.00 22.21 O ATOM 498 CB TRP A 373 -1.050 -1.038 1.111 1.00 23.42 C ATOM 499 CG TRP A 373 -2.458 -1.542 0.837 1.00 62.11 C ATOM 500 CD1 TRP A 373 -3.375 -1.007 -0.030 1.00 65.10 C ATOM 501 CD2 TRP A 373 -3.090 -2.698 1.419 1.00 34.13 C ATOM 502 NE1 TRP A 373 -4.523 -1.762 -0.023 1.00 52.53 N ATOM 503 CE2 TRP A 373 -4.378 -2.802 0.856 1.00 22.22 C ATOM 504 CE3 TRP A 373 -2.688 -3.647 2.356 1.00 31.41 C ATOM 505 CZ2 TRP A 373 -5.267 -3.831 1.201 1.00 14.33 C ATOM 506 CZ3 TRP A 373 -3.565 -4.661 2.697 1.00 65.40 C ATOM 507 CH2 TRP A 373 -4.838 -4.746 2.118 1.00 53.55 C ATOM 0 H TRP A 373 1.109 -0.058 1.784 1.00 62.23 H new ATOM 0 HA TRP A 373 -1.544 0.801 2.097 1.00 54.40 H new ATOM 0 HB2 TRP A 373 -0.678 -0.541 0.215 1.00 23.42 H new ATOM 0 HB3 TRP A 373 -0.403 -1.896 1.291 1.00 23.42 H new ATOM 0 HD1 TRP A 373 -3.218 -0.123 -0.630 1.00 65.10 H new ATOM 0 HE1 TRP A 373 -5.354 -1.577 -0.585 1.00 52.53 H new ATOM 0 HE3 TRP A 373 -1.709 -3.592 2.808 1.00 31.41 H new ATOM 0 HZ2 TRP A 373 -6.250 -3.896 0.759 1.00 14.33 H new ATOM 0 HZ3 TRP A 373 -3.263 -5.401 3.423 1.00 65.40 H new ATOM 0 HH2 TRP A 373 -5.495 -5.554 2.404 1.00 53.55 H new ATOM 518 N PHE A 374 -0.621 -1.665 4.070 1.00 60.14 N ATOM 519 CA PHE A 374 -0.983 -2.391 5.285 1.00 21.11 C ATOM 520 C PHE A 374 -1.109 -1.472 6.480 1.00 3.14 C ATOM 521 O PHE A 374 -2.043 -1.586 7.252 1.00 65.32 O ATOM 522 CB PHE A 374 0.000 -3.522 5.592 1.00 22.41 C ATOM 523 CG PHE A 374 -0.028 -4.670 4.628 1.00 50.52 C ATOM 524 CD1 PHE A 374 0.710 -4.641 3.465 1.00 45.42 C ATOM 525 CD2 PHE A 374 -0.792 -5.788 4.900 1.00 55.43 C ATOM 526 CE1 PHE A 374 0.687 -5.706 2.585 1.00 30.40 C ATOM 527 CE2 PHE A 374 -0.818 -6.852 4.026 1.00 64.43 C ATOM 528 CZ PHE A 374 -0.077 -6.811 2.866 1.00 61.40 C ATOM 0 H PHE A 374 0.272 -1.942 3.663 1.00 60.14 H new ATOM 0 HA PHE A 374 -1.961 -2.833 5.092 1.00 21.11 H new ATOM 0 HB2 PHE A 374 1.009 -3.110 5.612 1.00 22.41 H new ATOM 0 HB3 PHE A 374 -0.209 -3.902 6.592 1.00 22.41 H new ATOM 0 HD1 PHE A 374 1.314 -3.775 3.238 1.00 45.42 H new ATOM 0 HD2 PHE A 374 -1.375 -5.828 5.808 1.00 55.43 H new ATOM 0 HE1 PHE A 374 1.270 -5.669 1.677 1.00 30.40 H new ATOM 0 HE2 PHE A 374 -1.420 -7.720 4.251 1.00 64.43 H new ATOM 0 HZ PHE A 374 -0.097 -7.645 2.180 1.00 61.40 H new ATOM 538 N ALA A 375 -0.196 -0.551 6.605 1.00 11.22 N ATOM 539 CA ALA A 375 -0.188 0.371 7.742 1.00 3.40 C ATOM 540 C ALA A 375 -1.412 1.287 7.734 1.00 23.22 C ATOM 541 O ALA A 375 -2.005 1.581 8.779 1.00 65.32 O ATOM 542 CB ALA A 375 1.090 1.185 7.749 1.00 4.23 C ATOM 0 H ALA A 375 0.562 -0.406 5.939 1.00 11.22 H new ATOM 0 HA ALA A 375 -0.232 -0.224 8.654 1.00 3.40 H new ATOM 0 HB1 ALA A 375 1.083 1.866 8.600 1.00 4.23 H new ATOM 0 HB2 ALA A 375 1.947 0.516 7.827 1.00 4.23 H new ATOM 0 HB3 ALA A 375 1.161 1.759 6.825 1.00 4.23 H new ATOM 548 N SER A 376 -1.774 1.731 6.570 1.00 50.42 N ATOM 549 CA SER A 376 -2.909 2.603 6.392 1.00 32.22 C ATOM 550 C SER A 376 -4.259 1.857 6.422 1.00 15.21 C ATOM 551 O SER A 376 -5.235 2.368 6.963 1.00 21.23 O ATOM 552 CB SER A 376 -2.758 3.376 5.091 1.00 73.42 C ATOM 553 OG SER A 376 -1.557 4.127 5.097 1.00 32.42 O ATOM 0 H SER A 376 -1.289 1.499 5.703 1.00 50.42 H new ATOM 0 HA SER A 376 -2.922 3.291 7.237 1.00 32.22 H new ATOM 0 HB2 SER A 376 -2.757 2.685 4.248 1.00 73.42 H new ATOM 0 HB3 SER A 376 -3.610 4.042 4.956 1.00 73.42 H new ATOM 0 HG SER A 376 -0.811 3.553 4.823 1.00 32.42 H new ATOM 559 N ASN A 377 -4.313 0.656 5.861 1.00 71.30 N ATOM 560 CA ASN A 377 -5.598 -0.053 5.745 1.00 22.14 C ATOM 561 C ASN A 377 -5.853 -1.017 6.887 1.00 54.20 C ATOM 562 O ASN A 377 -7.005 -1.372 7.161 1.00 22.20 O ATOM 563 CB ASN A 377 -5.736 -0.770 4.389 1.00 31.22 C ATOM 564 CG ASN A 377 -5.793 0.188 3.207 1.00 63.43 C ATOM 565 OD1 ASN A 377 -6.864 0.623 2.790 1.00 74.23 O ATOM 566 ND2 ASN A 377 -4.653 0.525 2.665 1.00 31.54 N ATOM 0 H ASN A 377 -3.508 0.155 5.485 1.00 71.30 H new ATOM 0 HA ASN A 377 -6.365 0.720 5.805 1.00 22.14 H new ATOM 0 HB2 ASN A 377 -4.894 -1.450 4.257 1.00 31.22 H new ATOM 0 HB3 ASN A 377 -6.639 -1.380 4.398 1.00 31.22 H new ATOM 0 HD21 ASN A 377 -4.635 1.167 1.872 1.00 31.54 H new ATOM 0 HD22 ASN A 377 -3.781 0.146 3.035 1.00 31.54 H new ATOM 573 N VAL A 378 -4.811 -1.441 7.551 1.00 54.20 N ATOM 574 CA VAL A 378 -4.936 -2.375 8.647 1.00 22.22 C ATOM 575 C VAL A 378 -4.556 -1.682 9.953 1.00 74.22 C ATOM 576 O VAL A 378 -3.425 -1.194 10.107 1.00 53.33 O ATOM 577 CB VAL A 378 -4.049 -3.633 8.438 1.00 73.13 C ATOM 578 CG1 VAL A 378 -4.201 -4.621 9.590 1.00 3.42 C ATOM 579 CG2 VAL A 378 -4.372 -4.309 7.114 1.00 51.05 C ATOM 0 H VAL A 378 -3.853 -1.152 7.351 1.00 54.20 H new ATOM 0 HA VAL A 378 -5.973 -2.707 8.690 1.00 22.22 H new ATOM 0 HB VAL A 378 -3.011 -3.301 8.415 1.00 73.13 H new ATOM 0 HG11 VAL A 378 -3.567 -5.489 9.411 1.00 3.42 H new ATOM 0 HG12 VAL A 378 -3.904 -4.141 10.523 1.00 3.42 H new ATOM 0 HG13 VAL A 378 -5.241 -4.940 9.661 1.00 3.42 H new ATOM 0 HG21 VAL A 378 -3.738 -5.187 6.990 1.00 51.05 H new ATOM 0 HG22 VAL A 378 -5.419 -4.613 7.106 1.00 51.05 H new ATOM 0 HG23 VAL A 378 -4.191 -3.612 6.296 1.00 51.05 H new ATOM 589 N PRO A 379 -5.489 -1.656 10.916 1.00 63.00 N ATOM 590 CA PRO A 379 -5.308 -0.954 12.194 1.00 70.14 C ATOM 591 C PRO A 379 -4.115 -1.465 13.008 1.00 64.35 C ATOM 592 O PRO A 379 -3.502 -0.712 13.772 1.00 3.42 O ATOM 593 CB PRO A 379 -6.627 -1.194 12.951 1.00 50.43 C ATOM 594 CG PRO A 379 -7.303 -2.323 12.242 1.00 53.22 C ATOM 595 CD PRO A 379 -6.807 -2.307 10.825 1.00 15.12 C ATOM 0 HA PRO A 379 -5.089 0.101 12.027 1.00 70.14 H new ATOM 0 HB2 PRO A 379 -6.439 -1.444 13.995 1.00 50.43 H new ATOM 0 HB3 PRO A 379 -7.250 -0.299 12.945 1.00 50.43 H new ATOM 0 HG2 PRO A 379 -7.071 -3.274 12.722 1.00 53.22 H new ATOM 0 HG3 PRO A 379 -8.386 -2.206 12.273 1.00 53.22 H new ATOM 0 HD2 PRO A 379 -6.727 -3.315 10.419 1.00 15.12 H new ATOM 0 HD3 PRO A 379 -7.482 -1.753 10.172 1.00 15.12 H new ATOM 603 N TYR A 380 -3.775 -2.731 12.824 1.00 24.30 N ATOM 604 CA TYR A 380 -2.671 -3.337 13.546 1.00 61.13 C ATOM 605 C TYR A 380 -1.336 -2.749 13.080 1.00 21.12 C ATOM 606 O TYR A 380 -0.443 -2.462 13.889 1.00 11.04 O ATOM 607 CB TYR A 380 -2.694 -4.858 13.332 1.00 60.20 C ATOM 608 CG TYR A 380 -1.694 -5.634 14.152 1.00 20.23 C ATOM 609 CD1 TYR A 380 -1.815 -5.692 15.529 1.00 34.21 C ATOM 610 CD2 TYR A 380 -0.642 -6.309 13.558 1.00 61.35 C ATOM 611 CE1 TYR A 380 -0.922 -6.398 16.297 1.00 42.54 C ATOM 612 CE2 TYR A 380 0.262 -7.026 14.315 1.00 54.34 C ATOM 613 CZ TYR A 380 0.112 -7.064 15.694 1.00 20.13 C ATOM 614 OH TYR A 380 1.002 -7.770 16.471 1.00 72.01 O ATOM 0 H TYR A 380 -4.251 -3.360 12.177 1.00 24.30 H new ATOM 0 HA TYR A 380 -2.780 -3.124 14.609 1.00 61.13 H new ATOM 0 HB2 TYR A 380 -3.694 -5.227 13.562 1.00 60.20 H new ATOM 0 HB3 TYR A 380 -2.513 -5.064 12.277 1.00 60.20 H new ATOM 0 HD1 TYR A 380 -2.629 -5.171 16.010 1.00 34.21 H new ATOM 0 HD2 TYR A 380 -0.527 -6.274 12.485 1.00 61.35 H new ATOM 0 HE1 TYR A 380 -1.034 -6.428 17.371 1.00 42.54 H new ATOM 0 HE2 TYR A 380 1.077 -7.552 13.840 1.00 54.34 H new ATOM 0 HH TYR A 380 0.547 -8.097 17.275 1.00 72.01 H new ATOM 624 N PHE A 381 -1.215 -2.554 11.782 1.00 33.31 N ATOM 625 CA PHE A 381 0.008 -2.058 11.196 1.00 11.00 C ATOM 626 C PHE A 381 0.206 -0.593 11.388 1.00 5.43 C ATOM 627 O PHE A 381 1.325 -0.134 11.431 1.00 41.44 O ATOM 628 CB PHE A 381 0.178 -2.500 9.773 1.00 63.03 C ATOM 629 CG PHE A 381 0.214 -3.969 9.684 1.00 63.31 C ATOM 630 CD1 PHE A 381 1.101 -4.692 10.459 1.00 62.04 C ATOM 631 CD2 PHE A 381 -0.632 -4.633 8.856 1.00 21.20 C ATOM 632 CE1 PHE A 381 1.127 -6.052 10.399 1.00 43.00 C ATOM 633 CE2 PHE A 381 -0.614 -5.984 8.785 1.00 43.31 C ATOM 634 CZ PHE A 381 0.272 -6.700 9.562 1.00 72.32 C ATOM 0 H PHE A 381 -1.960 -2.735 11.109 1.00 33.31 H new ATOM 0 HA PHE A 381 0.819 -2.523 11.756 1.00 11.00 H new ATOM 0 HB2 PHE A 381 -0.642 -2.114 9.167 1.00 63.03 H new ATOM 0 HB3 PHE A 381 1.099 -2.084 9.365 1.00 63.03 H new ATOM 0 HD1 PHE A 381 1.780 -4.173 11.119 1.00 62.04 H new ATOM 0 HD2 PHE A 381 -1.328 -4.076 8.246 1.00 21.20 H new ATOM 0 HE1 PHE A 381 1.820 -6.611 11.010 1.00 43.00 H new ATOM 0 HE2 PHE A 381 -1.292 -6.500 8.121 1.00 43.31 H new ATOM 0 HZ PHE A 381 0.287 -7.778 9.506 1.00 72.32 H new ATOM 644 N GLY A 382 -0.879 0.149 11.504 1.00 44.13 N ATOM 645 CA GLY A 382 -0.762 1.570 11.795 1.00 44.30 C ATOM 646 C GLY A 382 -0.099 1.801 13.168 1.00 5.34 C ATOM 647 O GLY A 382 0.423 2.882 13.456 1.00 74.40 O ATOM 0 H GLY A 382 -1.834 -0.196 11.404 1.00 44.13 H new ATOM 0 HA2 GLY A 382 -0.174 2.057 11.017 1.00 44.30 H new ATOM 0 HA3 GLY A 382 -1.750 2.030 11.783 1.00 44.30 H new ATOM 651 N ASN A 383 -0.120 0.758 13.996 1.00 14.42 N ATOM 652 CA ASN A 383 0.510 0.737 15.291 1.00 14.02 C ATOM 653 C ASN A 383 1.987 0.269 15.179 1.00 63.22 C ATOM 654 O ASN A 383 2.799 0.456 16.094 1.00 74.12 O ATOM 655 CB ASN A 383 -0.343 -0.158 16.217 1.00 15.10 C ATOM 656 CG ASN A 383 0.440 -0.899 17.260 1.00 31.43 C ATOM 657 OD1 ASN A 383 0.701 -0.403 18.364 1.00 15.45 O ATOM 658 ND2 ASN A 383 0.785 -2.112 16.921 1.00 15.12 N ATOM 0 H ASN A 383 -0.593 -0.116 13.766 1.00 14.42 H new ATOM 0 HA ASN A 383 0.555 1.738 15.721 1.00 14.02 H new ATOM 0 HB2 ASN A 383 -1.090 0.462 16.714 1.00 15.10 H new ATOM 0 HB3 ASN A 383 -0.884 -0.880 15.606 1.00 15.10 H new ATOM 0 HD21 ASN A 383 1.295 -2.700 17.580 1.00 15.12 H new ATOM 0 HD22 ASN A 383 0.544 -2.471 15.997 1.00 15.12 H new ATOM 665 N ARG A 384 2.330 -0.301 14.041 1.00 63.01 N ATOM 666 CA ARG A 384 3.689 -0.731 13.773 1.00 22.03 C ATOM 667 C ARG A 384 4.234 0.053 12.593 1.00 21.22 C ATOM 668 O ARG A 384 4.361 -0.482 11.489 1.00 42.55 O ATOM 669 CB ARG A 384 3.791 -2.224 13.440 1.00 4.14 C ATOM 670 CG ARG A 384 3.406 -3.223 14.518 1.00 24.45 C ATOM 671 CD ARG A 384 3.735 -4.621 14.006 1.00 50.21 C ATOM 672 NE ARG A 384 3.413 -5.706 14.929 1.00 62.03 N ATOM 673 CZ ARG A 384 3.977 -6.934 14.875 1.00 72.30 C ATOM 674 NH1 ARG A 384 4.998 -7.173 14.058 1.00 22.52 N ATOM 675 NH2 ARG A 384 3.530 -7.901 15.645 1.00 24.35 N ATOM 0 H ARG A 384 1.677 -0.479 13.278 1.00 63.01 H new ATOM 0 HA ARG A 384 4.263 -0.550 14.682 1.00 22.03 H new ATOM 0 HB2 ARG A 384 3.165 -2.415 12.568 1.00 4.14 H new ATOM 0 HB3 ARG A 384 4.820 -2.431 13.145 1.00 4.14 H new ATOM 0 HG2 ARG A 384 3.950 -3.017 15.440 1.00 24.45 H new ATOM 0 HG3 ARG A 384 2.344 -3.143 14.750 1.00 24.45 H new ATOM 0 HD2 ARG A 384 3.197 -4.786 13.073 1.00 50.21 H new ATOM 0 HD3 ARG A 384 4.799 -4.666 13.773 1.00 50.21 H new ATOM 0 HE ARG A 384 2.722 -5.527 15.657 1.00 62.03 H new ATOM 0 HH11 ARG A 384 5.362 -6.427 13.465 1.00 22.52 H new ATOM 0 HH12 ARG A 384 5.417 -8.102 14.024 1.00 22.52 H new ATOM 0 HH21 ARG A 384 2.756 -7.726 16.286 1.00 24.35 H new ATOM 0 HH22 ARG A 384 3.957 -8.826 15.602 1.00 24.35 H new ATOM 689 N THR A 385 4.518 1.306 12.805 1.00 0.51 N ATOM 690 CA THR A 385 4.936 2.171 11.715 1.00 63.11 C ATOM 691 C THR A 385 6.373 2.692 11.841 1.00 45.21 C ATOM 692 O THR A 385 6.947 3.192 10.870 1.00 51.21 O ATOM 693 CB THR A 385 3.934 3.321 11.498 1.00 72.21 C ATOM 694 OG1 THR A 385 3.540 3.882 12.770 1.00 62.21 O ATOM 695 CG2 THR A 385 2.709 2.842 10.741 1.00 3.45 C ATOM 0 H THR A 385 4.471 1.760 13.717 1.00 0.51 H new ATOM 0 HA THR A 385 4.937 1.540 10.826 1.00 63.11 H new ATOM 0 HB THR A 385 4.424 4.090 10.902 1.00 72.21 H new ATOM 0 HG1 THR A 385 2.627 3.598 12.984 1.00 62.21 H new ATOM 0 HG21 THR A 385 2.019 3.674 10.602 1.00 3.45 H new ATOM 0 HG22 THR A 385 3.011 2.455 9.768 1.00 3.45 H new ATOM 0 HG23 THR A 385 2.216 2.053 11.309 1.00 3.45 H new ATOM 703 N SER A 386 6.947 2.582 13.018 1.00 73.51 N ATOM 704 CA SER A 386 8.329 2.965 13.217 1.00 0.32 C ATOM 705 C SER A 386 9.208 1.838 12.644 1.00 72.15 C ATOM 706 O SER A 386 8.722 0.728 12.473 1.00 31.20 O ATOM 707 CB SER A 386 8.593 3.184 14.721 1.00 1.23 C ATOM 708 OG SER A 386 9.910 3.623 14.963 1.00 53.01 O ATOM 0 H SER A 386 6.479 2.230 13.853 1.00 73.51 H new ATOM 0 HA SER A 386 8.562 3.900 12.708 1.00 0.32 H new ATOM 0 HB2 SER A 386 7.888 3.918 15.111 1.00 1.23 H new ATOM 0 HB3 SER A 386 8.415 2.254 15.260 1.00 1.23 H new ATOM 0 HG SER A 386 10.040 3.753 15.926 1.00 53.01 H new ATOM 714 N GLN A 387 10.472 2.106 12.348 1.00 3.10 N ATOM 715 CA GLN A 387 11.345 1.085 11.726 1.00 31.43 C ATOM 716 C GLN A 387 11.515 -0.162 12.590 1.00 32.44 C ATOM 717 O GLN A 387 11.337 -1.280 12.104 1.00 12.32 O ATOM 718 CB GLN A 387 12.687 1.660 11.284 1.00 62.14 C ATOM 719 CG GLN A 387 12.557 2.686 10.171 1.00 61.25 C ATOM 720 CD GLN A 387 13.887 3.242 9.708 1.00 11.31 C ATOM 721 OE1 GLN A 387 14.840 3.341 10.474 1.00 52.30 O ATOM 722 NE2 GLN A 387 13.956 3.617 8.461 1.00 33.34 N ATOM 0 H GLN A 387 10.923 3.004 12.520 1.00 3.10 H new ATOM 0 HA GLN A 387 10.825 0.762 10.824 1.00 31.43 H new ATOM 0 HB2 GLN A 387 13.178 2.122 12.141 1.00 62.14 H new ATOM 0 HB3 GLN A 387 13.331 0.847 10.948 1.00 62.14 H new ATOM 0 HG2 GLN A 387 12.048 2.229 9.323 1.00 61.25 H new ATOM 0 HG3 GLN A 387 11.928 3.507 10.515 1.00 61.25 H new ATOM 0 HE21 GLN A 387 13.143 3.519 7.853 1.00 33.34 H new ATOM 0 HE22 GLN A 387 14.823 4.008 8.093 1.00 33.34 H new ATOM 731 N GLU A 388 11.816 0.030 13.867 1.00 43.14 N ATOM 732 CA GLU A 388 11.940 -1.089 14.808 1.00 53.13 C ATOM 733 C GLU A 388 10.589 -1.796 14.972 1.00 72.14 C ATOM 734 O GLU A 388 10.513 -2.998 15.198 1.00 4.02 O ATOM 735 CB GLU A 388 12.423 -0.580 16.169 1.00 32.55 C ATOM 736 CG GLU A 388 13.807 0.046 16.150 1.00 24.42 C ATOM 737 CD GLU A 388 14.877 -0.935 15.768 1.00 60.21 C ATOM 738 OE1 GLU A 388 15.109 -1.142 14.565 1.00 1.15 O ATOM 739 OE2 GLU A 388 15.514 -1.514 16.670 1.00 32.13 O ATOM 0 H GLU A 388 11.980 0.948 14.281 1.00 43.14 H new ATOM 0 HA GLU A 388 12.667 -1.798 14.412 1.00 53.13 H new ATOM 0 HB2 GLU A 388 11.710 0.155 16.542 1.00 32.55 H new ATOM 0 HB3 GLU A 388 12.423 -1.411 16.875 1.00 32.55 H new ATOM 0 HG2 GLU A 388 13.815 0.880 15.448 1.00 24.42 H new ATOM 0 HG3 GLU A 388 14.030 0.457 17.135 1.00 24.42 H new ATOM 746 N GLN A 389 9.538 -1.029 14.816 1.00 73.21 N ATOM 747 CA GLN A 389 8.180 -1.507 14.979 1.00 70.30 C ATOM 748 C GLN A 389 7.646 -2.237 13.762 1.00 54.33 C ATOM 749 O GLN A 389 6.755 -3.064 13.883 1.00 33.10 O ATOM 750 CB GLN A 389 7.259 -0.342 15.344 1.00 60.15 C ATOM 751 CG GLN A 389 7.509 0.192 16.737 1.00 72.52 C ATOM 752 CD GLN A 389 7.128 -0.824 17.798 1.00 32.25 C ATOM 753 OE1 GLN A 389 6.087 -1.581 17.539 1.00 3.54 O flip ATOM 754 NE2 GLN A 389 7.736 -0.887 18.855 1.00 13.22 N flip ATOM 0 H GLN A 389 9.599 -0.041 14.569 1.00 73.21 H new ATOM 0 HA GLN A 389 8.200 -2.237 15.788 1.00 70.30 H new ATOM 0 HB2 GLN A 389 7.396 0.463 14.622 1.00 60.15 H new ATOM 0 HB3 GLN A 389 6.222 -0.667 15.266 1.00 60.15 H new ATOM 0 HG2 GLN A 389 8.562 0.454 16.844 1.00 72.52 H new ATOM 0 HG3 GLN A 389 6.936 1.107 16.885 1.00 72.52 H new ATOM 0 HE21 GLN A 389 8.540 -0.281 19.018 1.00 13.22 H new ATOM 0 HE22 GLN A 389 7.440 -1.545 19.575 1.00 13.22 H new ATOM 763 N SER A 390 8.171 -1.951 12.611 1.00 53.34 N ATOM 764 CA SER A 390 7.648 -2.531 11.407 1.00 15.04 C ATOM 765 C SER A 390 8.557 -3.592 10.798 1.00 24.33 C ATOM 766 O SER A 390 8.130 -4.346 9.922 1.00 1.41 O ATOM 767 CB SER A 390 7.325 -1.433 10.402 1.00 11.23 C ATOM 768 OG SER A 390 8.465 -0.637 10.133 1.00 5.44 O ATOM 0 H SER A 390 8.961 -1.320 12.477 1.00 53.34 H new ATOM 0 HA SER A 390 6.732 -3.056 11.677 1.00 15.04 H new ATOM 0 HB2 SER A 390 6.962 -1.879 9.476 1.00 11.23 H new ATOM 0 HB3 SER A 390 6.523 -0.805 10.790 1.00 11.23 H new ATOM 0 HG SER A 390 8.669 -0.083 10.915 1.00 5.44 H new ATOM 774 N ALA A 391 9.784 -3.667 11.294 1.00 63.31 N ATOM 775 CA ALA A 391 10.805 -4.573 10.768 1.00 33.05 C ATOM 776 C ALA A 391 10.317 -6.005 10.634 1.00 33.41 C ATOM 777 O ALA A 391 10.487 -6.627 9.581 1.00 1.41 O ATOM 778 CB ALA A 391 12.022 -4.538 11.650 1.00 31.22 C ATOM 0 H ALA A 391 10.105 -3.099 12.078 1.00 63.31 H new ATOM 0 HA ALA A 391 11.050 -4.222 9.766 1.00 33.05 H new ATOM 0 HB1 ALA A 391 12.779 -5.215 11.253 1.00 31.22 H new ATOM 0 HB2 ALA A 391 12.421 -3.524 11.679 1.00 31.22 H new ATOM 0 HB3 ALA A 391 11.750 -4.850 12.658 1.00 31.22 H new ATOM 784 N GLY A 392 9.694 -6.507 11.676 1.00 3.43 N ATOM 785 CA GLY A 392 9.247 -7.870 11.696 1.00 34.43 C ATOM 786 C GLY A 392 8.174 -8.181 10.692 1.00 65.30 C ATOM 787 O GLY A 392 8.275 -9.185 9.971 1.00 51.50 O ATOM 0 H GLY A 392 9.487 -5.981 12.525 1.00 3.43 H new ATOM 0 HA2 GLY A 392 10.100 -8.523 11.513 1.00 34.43 H new ATOM 0 HA3 GLY A 392 8.875 -8.104 12.693 1.00 34.43 H new ATOM 791 N TRP A 393 7.145 -7.344 10.610 1.00 14.02 N ATOM 792 CA TRP A 393 6.085 -7.641 9.678 1.00 42.44 C ATOM 793 C TRP A 393 6.524 -7.381 8.252 1.00 73.33 C ATOM 794 O TRP A 393 6.081 -8.071 7.327 1.00 12.51 O ATOM 795 CB TRP A 393 4.723 -6.996 10.023 1.00 54.14 C ATOM 796 CG TRP A 393 4.645 -5.509 9.933 1.00 31.12 C ATOM 797 CD1 TRP A 393 4.986 -4.624 10.873 1.00 24.43 C ATOM 798 CD2 TRP A 393 4.144 -4.755 8.837 1.00 20.43 C ATOM 799 NE1 TRP A 393 4.740 -3.344 10.437 1.00 14.51 N ATOM 800 CE2 TRP A 393 4.231 -3.399 9.185 1.00 51.42 C ATOM 801 CE3 TRP A 393 3.643 -5.097 7.601 1.00 44.53 C ATOM 802 CZ2 TRP A 393 3.830 -2.378 8.337 1.00 3.12 C ATOM 803 CZ3 TRP A 393 3.243 -4.088 6.749 1.00 73.52 C ATOM 804 CH2 TRP A 393 3.340 -2.745 7.118 1.00 24.42 C ATOM 0 H TRP A 393 7.030 -6.491 11.157 1.00 14.02 H new ATOM 0 HA TRP A 393 5.892 -8.709 9.775 1.00 42.44 H new ATOM 0 HB2 TRP A 393 3.969 -7.417 9.358 1.00 54.14 H new ATOM 0 HB3 TRP A 393 4.454 -7.290 11.038 1.00 54.14 H new ATOM 0 HD1 TRP A 393 5.397 -4.878 11.839 1.00 24.43 H new ATOM 0 HE1 TRP A 393 4.913 -2.492 10.970 1.00 14.51 H new ATOM 0 HE3 TRP A 393 3.565 -6.133 7.305 1.00 44.53 H new ATOM 0 HZ2 TRP A 393 3.902 -1.340 8.628 1.00 3.12 H new ATOM 0 HZ3 TRP A 393 2.847 -4.342 5.777 1.00 73.52 H new ATOM 0 HH2 TRP A 393 3.021 -1.981 6.424 1.00 24.42 H new ATOM 815 N LYS A 394 7.430 -6.404 8.063 1.00 13.23 N ATOM 816 CA LYS A 394 7.996 -6.173 6.754 1.00 25.35 C ATOM 817 C LYS A 394 8.832 -7.349 6.319 1.00 52.53 C ATOM 818 O LYS A 394 8.872 -7.685 5.139 1.00 22.14 O ATOM 819 CB LYS A 394 8.822 -4.894 6.709 1.00 10.13 C ATOM 820 CG LYS A 394 7.991 -3.661 6.900 1.00 50.03 C ATOM 821 CD LYS A 394 8.792 -2.393 6.722 1.00 43.41 C ATOM 822 CE LYS A 394 7.888 -1.194 6.863 1.00 73.05 C ATOM 823 NZ LYS A 394 8.561 0.072 6.503 1.00 24.11 N ATOM 0 H LYS A 394 7.770 -5.781 8.795 1.00 13.23 H new ATOM 0 HA LYS A 394 7.164 -6.054 6.060 1.00 25.35 H new ATOM 0 HB2 LYS A 394 9.588 -4.934 7.483 1.00 10.13 H new ATOM 0 HB3 LYS A 394 9.339 -4.834 5.751 1.00 10.13 H new ATOM 0 HG2 LYS A 394 7.165 -3.669 6.188 1.00 50.03 H new ATOM 0 HG3 LYS A 394 7.552 -3.673 7.898 1.00 50.03 H new ATOM 0 HD2 LYS A 394 9.589 -2.348 7.464 1.00 43.41 H new ATOM 0 HD3 LYS A 394 9.268 -2.387 5.742 1.00 43.41 H new ATOM 0 HE2 LYS A 394 7.012 -1.328 6.229 1.00 73.05 H new ATOM 0 HE3 LYS A 394 7.531 -1.132 7.891 1.00 73.05 H new ATOM 0 HZ1 LYS A 394 7.896 0.863 6.617 1.00 24.11 H new ATOM 0 HZ2 LYS A 394 9.382 0.217 7.124 1.00 24.11 H new ATOM 0 HZ3 LYS A 394 8.879 0.027 5.514 1.00 24.11 H new ATOM 837 N ASN A 395 9.467 -7.997 7.284 1.00 55.44 N ATOM 838 CA ASN A 395 10.324 -9.147 7.001 1.00 43.15 C ATOM 839 C ASN A 395 9.517 -10.277 6.349 1.00 2.35 C ATOM 840 O ASN A 395 9.924 -10.851 5.332 1.00 62.12 O ATOM 841 CB ASN A 395 10.980 -9.635 8.297 1.00 22.45 C ATOM 842 CG ASN A 395 11.883 -10.839 8.111 1.00 24.33 C ATOM 843 OD1 ASN A 395 12.495 -11.029 7.058 1.00 64.21 O ATOM 844 ND2 ASN A 395 11.975 -11.656 9.131 1.00 50.50 N ATOM 0 H ASN A 395 9.407 -7.749 8.272 1.00 55.44 H new ATOM 0 HA ASN A 395 11.103 -8.842 6.302 1.00 43.15 H new ATOM 0 HB2 ASN A 395 11.561 -8.820 8.728 1.00 22.45 H new ATOM 0 HB3 ASN A 395 10.200 -9.885 9.016 1.00 22.45 H new ATOM 0 HD21 ASN A 395 12.569 -12.483 9.070 1.00 50.50 H new ATOM 0 HD22 ASN A 395 11.453 -11.465 9.986 1.00 50.50 H new ATOM 851 N SER A 396 8.360 -10.554 6.910 1.00 65.53 N ATOM 852 CA SER A 396 7.511 -11.616 6.422 1.00 72.41 C ATOM 853 C SER A 396 6.880 -11.267 5.052 1.00 4.33 C ATOM 854 O SER A 396 6.688 -12.150 4.195 1.00 15.35 O ATOM 855 CB SER A 396 6.455 -11.921 7.462 1.00 41.22 C ATOM 856 OG SER A 396 7.062 -12.250 8.703 1.00 12.21 O ATOM 0 H SER A 396 7.984 -10.051 7.714 1.00 65.53 H new ATOM 0 HA SER A 396 8.118 -12.506 6.258 1.00 72.41 H new ATOM 0 HB2 SER A 396 5.800 -11.059 7.588 1.00 41.22 H new ATOM 0 HB3 SER A 396 5.831 -12.749 7.124 1.00 41.22 H new ATOM 0 HG SER A 396 6.367 -12.443 9.366 1.00 12.21 H new ATOM 862 N ILE A 397 6.567 -9.994 4.840 1.00 0.01 N ATOM 863 CA ILE A 397 6.028 -9.559 3.562 1.00 63.21 C ATOM 864 C ILE A 397 7.090 -9.654 2.475 1.00 70.23 C ATOM 865 O ILE A 397 6.846 -10.255 1.432 1.00 13.22 O ATOM 866 CB ILE A 397 5.428 -8.122 3.616 1.00 52.53 C ATOM 867 CG1 ILE A 397 4.151 -8.095 4.447 1.00 24.32 C ATOM 868 CG2 ILE A 397 5.147 -7.579 2.219 1.00 62.32 C ATOM 869 CD1 ILE A 397 3.565 -6.728 4.624 1.00 54.41 C ATOM 0 H ILE A 397 6.677 -9.252 5.532 1.00 0.01 H new ATOM 0 HA ILE A 397 5.206 -10.233 3.321 1.00 63.21 H new ATOM 0 HB ILE A 397 6.172 -7.482 4.089 1.00 52.53 H new ATOM 0 HG12 ILE A 397 3.409 -8.738 3.974 1.00 24.32 H new ATOM 0 HG13 ILE A 397 4.360 -8.519 5.429 1.00 24.32 H new ATOM 0 HG21 ILE A 397 4.729 -6.575 2.296 1.00 62.32 H new ATOM 0 HG22 ILE A 397 6.075 -7.543 1.649 1.00 62.32 H new ATOM 0 HG23 ILE A 397 4.435 -8.230 1.712 1.00 62.32 H new ATOM 0 HD11 ILE A 397 2.659 -6.796 5.227 1.00 54.41 H new ATOM 0 HD12 ILE A 397 4.288 -6.085 5.126 1.00 54.41 H new ATOM 0 HD13 ILE A 397 3.321 -6.308 3.648 1.00 54.41 H new ATOM 881 N ARG A 398 8.279 -9.108 2.746 1.00 62.53 N ATOM 882 CA ARG A 398 9.377 -9.106 1.806 1.00 35.30 C ATOM 883 C ARG A 398 9.728 -10.557 1.434 1.00 43.01 C ATOM 884 O ARG A 398 10.073 -10.854 0.271 1.00 32.34 O ATOM 885 CB ARG A 398 10.549 -8.401 2.474 1.00 75.42 C ATOM 886 CG ARG A 398 11.565 -7.755 1.554 1.00 4.14 C ATOM 887 CD ARG A 398 12.361 -8.729 0.703 1.00 31.03 C ATOM 888 NE ARG A 398 13.149 -9.665 1.512 1.00 10.23 N ATOM 889 CZ ARG A 398 14.043 -10.536 1.026 1.00 44.52 C ATOM 890 NH1 ARG A 398 14.306 -10.581 -0.276 1.00 21.01 N ATOM 891 NH2 ARG A 398 14.679 -11.351 1.849 1.00 2.11 N ATOM 0 H ARG A 398 8.497 -8.655 3.633 1.00 62.53 H new ATOM 0 HA ARG A 398 9.118 -8.583 0.885 1.00 35.30 H new ATOM 0 HB2 ARG A 398 10.152 -7.632 3.136 1.00 75.42 H new ATOM 0 HB3 ARG A 398 11.069 -9.125 3.102 1.00 75.42 H new ATOM 0 HG2 ARG A 398 11.047 -7.058 0.895 1.00 4.14 H new ATOM 0 HG3 ARG A 398 12.259 -7.169 2.156 1.00 4.14 H new ATOM 0 HD2 ARG A 398 11.679 -9.290 0.064 1.00 31.03 H new ATOM 0 HD3 ARG A 398 13.028 -8.171 0.045 1.00 31.03 H new ATOM 0 HE ARG A 398 13.005 -9.652 2.522 1.00 10.23 H new ATOM 0 HH11 ARG A 398 13.825 -9.948 -0.916 1.00 21.01 H new ATOM 0 HH12 ARG A 398 14.989 -11.248 -0.636 1.00 21.01 H new ATOM 0 HH21 ARG A 398 14.488 -11.315 2.850 1.00 2.11 H new ATOM 0 HH22 ARG A 398 15.361 -12.016 1.483 1.00 2.11 H new ATOM 905 N HIS A 399 9.614 -11.451 2.421 1.00 31.03 N ATOM 906 CA HIS A 399 9.836 -12.874 2.210 1.00 44.51 C ATOM 907 C HIS A 399 8.868 -13.398 1.133 1.00 14.14 C ATOM 908 O HIS A 399 9.292 -14.049 0.192 1.00 74.33 O ATOM 909 CB HIS A 399 9.668 -13.663 3.536 1.00 52.33 C ATOM 910 CG HIS A 399 9.951 -15.150 3.429 1.00 14.42 C ATOM 911 ND1 HIS A 399 11.130 -15.727 3.841 1.00 52.31 N ATOM 912 CD2 HIS A 399 9.186 -16.171 2.965 1.00 3.15 C ATOM 913 CE1 HIS A 399 11.079 -17.028 3.634 1.00 73.32 C ATOM 914 NE2 HIS A 399 9.911 -17.320 3.104 1.00 10.24 N ATOM 0 H HIS A 399 9.367 -11.205 3.380 1.00 31.03 H new ATOM 0 HA HIS A 399 10.859 -13.022 1.865 1.00 44.51 H new ATOM 0 HB2 HIS A 399 10.333 -13.233 4.285 1.00 52.33 H new ATOM 0 HB3 HIS A 399 8.649 -13.526 3.898 1.00 52.33 H new ATOM 0 HD2 HIS A 399 8.188 -16.090 2.560 1.00 3.15 H new ATOM 0 HE1 HIS A 399 11.864 -17.735 3.861 1.00 73.32 H new ATOM 0 HE2 HIS A 399 9.597 -18.254 2.840 1.00 10.24 H new ATOM 923 N ASN A 400 7.579 -13.085 1.274 1.00 62.12 N ATOM 924 CA ASN A 400 6.564 -13.517 0.286 1.00 71.12 C ATOM 925 C ASN A 400 6.714 -12.810 -1.042 1.00 33.14 C ATOM 926 O ASN A 400 6.549 -13.434 -2.100 1.00 50.41 O ATOM 927 CB ASN A 400 5.112 -13.363 0.790 1.00 24.02 C ATOM 928 CG ASN A 400 4.686 -14.427 1.782 1.00 43.10 C ATOM 929 OD1 ASN A 400 4.194 -15.477 1.394 1.00 52.01 O ATOM 930 ND2 ASN A 400 4.820 -14.154 3.044 1.00 24.50 N ATOM 0 H ASN A 400 7.206 -12.540 2.051 1.00 62.12 H new ATOM 0 HA ASN A 400 6.756 -14.580 0.144 1.00 71.12 H new ATOM 0 HB2 ASN A 400 5.002 -12.383 1.255 1.00 24.02 H new ATOM 0 HB3 ASN A 400 4.437 -13.388 -0.066 1.00 24.02 H new ATOM 0 HD21 ASN A 400 4.510 -14.825 3.747 1.00 24.50 H new ATOM 0 HD22 ASN A 400 5.235 -13.268 3.333 1.00 24.50 H new ATOM 937 N LEU A 401 7.045 -11.520 -0.992 1.00 31.04 N ATOM 938 CA LEU A 401 7.209 -10.693 -2.196 1.00 61.52 C ATOM 939 C LEU A 401 8.242 -11.294 -3.150 1.00 74.55 C ATOM 940 O LEU A 401 8.071 -11.268 -4.352 1.00 33.34 O ATOM 941 CB LEU A 401 7.629 -9.241 -1.827 1.00 14.40 C ATOM 942 CG LEU A 401 6.630 -8.395 -1.002 1.00 44.30 C ATOM 943 CD1 LEU A 401 7.249 -7.066 -0.633 1.00 21.15 C ATOM 944 CD2 LEU A 401 5.366 -8.129 -1.782 1.00 3.02 C ATOM 0 H LEU A 401 7.208 -11.016 -0.120 1.00 31.04 H new ATOM 0 HA LEU A 401 6.242 -10.667 -2.698 1.00 61.52 H new ATOM 0 HB2 LEU A 401 8.565 -9.293 -1.271 1.00 14.40 H new ATOM 0 HB3 LEU A 401 7.838 -8.706 -2.753 1.00 14.40 H new ATOM 0 HG LEU A 401 6.388 -8.962 -0.103 1.00 44.30 H new ATOM 0 HD11 LEU A 401 6.535 -6.481 -0.053 1.00 21.15 H new ATOM 0 HD12 LEU A 401 8.147 -7.235 -0.039 1.00 21.15 H new ATOM 0 HD13 LEU A 401 7.511 -6.522 -1.541 1.00 21.15 H new ATOM 0 HD21 LEU A 401 4.684 -7.533 -1.177 1.00 3.02 H new ATOM 0 HD22 LEU A 401 5.610 -7.586 -2.695 1.00 3.02 H new ATOM 0 HD23 LEU A 401 4.891 -9.076 -2.038 1.00 3.02 H new ATOM 1257 N TRP A 421 6.726 -3.039 -8.522 1.00 2.31 N ATOM 1258 CA TRP A 421 6.237 -4.262 -8.007 1.00 23.54 C ATOM 1259 C TRP A 421 4.893 -4.455 -8.668 1.00 4.23 C ATOM 1260 O TRP A 421 3.985 -3.626 -8.505 1.00 71.41 O ATOM 1261 CB TRP A 421 6.078 -4.206 -6.470 1.00 34.03 C ATOM 1262 CG TRP A 421 6.330 -5.501 -5.830 1.00 25.14 C ATOM 1263 CD1 TRP A 421 7.449 -5.836 -5.153 1.00 55.20 C ATOM 1264 CD2 TRP A 421 5.480 -6.649 -5.819 1.00 14.32 C ATOM 1265 NE1 TRP A 421 7.370 -7.107 -4.708 1.00 23.14 N ATOM 1266 CE2 TRP A 421 6.156 -7.645 -5.110 1.00 54.22 C ATOM 1267 CE3 TRP A 421 4.211 -6.929 -6.341 1.00 24.15 C ATOM 1268 CZ2 TRP A 421 5.607 -8.913 -4.907 1.00 63.35 C ATOM 1269 CZ3 TRP A 421 3.669 -8.178 -6.137 1.00 64.32 C ATOM 1270 CH2 TRP A 421 4.366 -9.158 -5.426 1.00 15.11 C ATOM 0 HA TRP A 421 6.924 -5.083 -8.211 1.00 23.54 H new ATOM 0 HB2 TRP A 421 6.766 -3.464 -6.064 1.00 34.03 H new ATOM 0 HB3 TRP A 421 5.069 -3.874 -6.225 1.00 34.03 H new ATOM 0 HD1 TRP A 421 8.290 -5.178 -4.990 1.00 55.20 H new ATOM 0 HE1 TRP A 421 8.085 -7.592 -4.166 1.00 23.14 H new ATOM 0 HE3 TRP A 421 3.667 -6.178 -6.894 1.00 24.15 H new ATOM 0 HZ2 TRP A 421 6.144 -9.673 -4.359 1.00 63.35 H new ATOM 0 HZ3 TRP A 421 2.690 -8.404 -6.533 1.00 64.32 H new ATOM 0 HH2 TRP A 421 3.915 -10.129 -5.283 1.00 15.11 H new ATOM 1281 N VAL A 422 4.786 -5.502 -9.447 1.00 63.55 N ATOM 1282 CA VAL A 422 3.584 -5.818 -10.189 1.00 43.10 C ATOM 1283 C VAL A 422 3.373 -7.310 -10.205 1.00 25.32 C ATOM 1284 O VAL A 422 4.317 -8.078 -9.987 1.00 2.12 O ATOM 1285 CB VAL A 422 3.641 -5.304 -11.678 1.00 34.54 C ATOM 1286 CG1 VAL A 422 3.687 -3.785 -11.750 1.00 44.12 C ATOM 1287 CG2 VAL A 422 4.840 -5.899 -12.418 1.00 54.24 C ATOM 0 H VAL A 422 5.542 -6.172 -9.588 1.00 63.55 H new ATOM 0 HA VAL A 422 2.759 -5.312 -9.687 1.00 43.10 H new ATOM 0 HB VAL A 422 2.725 -5.638 -12.165 1.00 34.54 H new ATOM 0 HG11 VAL A 422 3.726 -3.471 -12.793 1.00 44.12 H new ATOM 0 HG12 VAL A 422 2.795 -3.371 -11.279 1.00 44.12 H new ATOM 0 HG13 VAL A 422 4.573 -3.423 -11.229 1.00 44.12 H new ATOM 0 HG21 VAL A 422 4.856 -5.528 -13.443 1.00 54.24 H new ATOM 0 HG22 VAL A 422 5.761 -5.608 -11.913 1.00 54.24 H new ATOM 0 HG23 VAL A 422 4.759 -6.986 -12.427 1.00 54.24 H new ATOM 1297 N ILE A 423 2.168 -7.728 -10.452 1.00 15.14 N ATOM 1298 CA ILE A 423 1.903 -9.128 -10.618 1.00 50.42 C ATOM 1299 C ILE A 423 2.185 -9.458 -12.079 1.00 62.14 C ATOM 1300 O ILE A 423 1.726 -8.740 -12.978 1.00 62.34 O ATOM 1301 CB ILE A 423 0.436 -9.495 -10.244 1.00 64.33 C ATOM 1302 CG1 ILE A 423 0.151 -9.082 -8.785 1.00 41.30 C ATOM 1303 CG2 ILE A 423 0.186 -10.997 -10.439 1.00 34.33 C ATOM 1304 CD1 ILE A 423 -1.252 -9.403 -8.299 1.00 35.33 C ATOM 0 H ILE A 423 1.353 -7.122 -10.543 1.00 15.14 H new ATOM 0 HA ILE A 423 2.538 -9.709 -9.949 1.00 50.42 H new ATOM 0 HB ILE A 423 -0.242 -8.953 -10.904 1.00 64.33 H new ATOM 0 HG12 ILE A 423 0.870 -9.579 -8.134 1.00 41.30 H new ATOM 0 HG13 ILE A 423 0.319 -8.010 -8.685 1.00 41.30 H new ATOM 0 HG21 ILE A 423 -0.844 -11.232 -10.172 1.00 34.33 H new ATOM 0 HG22 ILE A 423 0.360 -11.263 -11.482 1.00 34.33 H new ATOM 0 HG23 ILE A 423 0.864 -11.564 -9.802 1.00 34.33 H new ATOM 0 HD11 ILE A 423 -1.362 -9.078 -7.264 1.00 35.33 H new ATOM 0 HD12 ILE A 423 -1.980 -8.884 -8.922 1.00 35.33 H new ATOM 0 HD13 ILE A 423 -1.422 -10.478 -8.361 1.00 35.33 H new