USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 494 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 390 SER OG : rot -74:sc= 1.13 USER MOD Set 1.2: A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 359 SER OG : rot -100:sc= 1.28 USER MOD Set 2.2: A 365 MET CE :methyl 141:sc= -0.552 (180deg=-1.19) USER MOD Single : A 342 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.63) USER MOD Single : A 348 SER OG : rot 88:sc=0.000863 USER MOD Single : A 349 TYR OH : rot 30:sc= -0.0161 USER MOD Single : A 350 SER OG : rot 180:sc= 0 USER MOD Single : A 355 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.0475) USER MOD Single : A 358 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 360 THR OG1 : rot -45:sc= 0.415 USER MOD Single : A 368 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 371 TYR OH : rot 180:sc= 0 USER MOD Single : A 372 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 376 SER OG : rot 79:sc= 1.31 USER MOD Single : A 377 ASN : amide:sc= 0.146 X(o=0.15,f=0) USER MOD Single : A 380 TYR OH : rot 150:sc= 0.484 USER MOD Single : A 383 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 385 THR OG1 : rot 180:sc= 0 USER MOD Single : A 386 SER OG : rot 180:sc= -0.0252 USER MOD Single : A 387 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 389 GLN : amide:sc= -2.28 K(o=-2.3,f=-0.1) USER MOD Single : A 395 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 396 SER OG : rot 65:sc= 0.387 USER MOD Single : A 399 HIS : no HD1:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 400 ASN : amide:sc= 0.328 K(o=0.33,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 342 -0.858 -15.412 10.798 1.00 1.00 N ATOM 2 CA ASN A 342 -0.621 -14.130 10.138 1.00 64.21 C ATOM 3 C ASN A 342 -0.904 -13.019 11.130 1.00 11.05 C ATOM 4 O ASN A 342 -1.847 -13.121 11.904 1.00 51.11 O ATOM 5 CB ASN A 342 -1.527 -13.985 8.915 1.00 25.00 C ATOM 6 CG ASN A 342 -1.385 -15.143 7.946 1.00 41.34 C ATOM 7 OD1 ASN A 342 -0.324 -15.737 7.816 1.00 70.35 O ATOM 8 ND2 ASN A 342 -2.450 -15.475 7.280 1.00 2.23 N ATOM 0 HA ASN A 342 0.414 -14.075 9.801 1.00 64.21 H new ATOM 0 HB2 ASN A 342 -2.564 -13.914 9.242 1.00 25.00 H new ATOM 0 HB3 ASN A 342 -1.291 -13.054 8.400 1.00 25.00 H new ATOM 0 HD21 ASN A 342 -2.418 -16.254 6.623 1.00 2.23 H new ATOM 0 HD22 ASN A 342 -3.318 -14.956 7.414 1.00 2.23 H new ATOM 17 N PRO A 343 -0.103 -11.931 11.116 1.00 13.53 N ATOM 18 CA PRO A 343 -0.209 -10.841 12.116 1.00 41.35 C ATOM 19 C PRO A 343 -1.513 -10.025 12.025 1.00 60.12 C ATOM 20 O PRO A 343 -1.955 -9.448 13.010 1.00 0.11 O ATOM 21 CB PRO A 343 1.008 -9.955 11.797 1.00 2.42 C ATOM 22 CG PRO A 343 1.280 -10.209 10.356 1.00 63.41 C ATOM 23 CD PRO A 343 0.984 -11.666 10.140 1.00 43.43 C ATOM 0 HA PRO A 343 -0.226 -11.240 13.130 1.00 41.35 H new ATOM 0 HB2 PRO A 343 0.793 -8.902 11.982 1.00 2.42 H new ATOM 0 HB3 PRO A 343 1.865 -10.219 12.416 1.00 2.42 H new ATOM 0 HG2 PRO A 343 0.652 -9.583 9.722 1.00 63.41 H new ATOM 0 HG3 PRO A 343 2.315 -9.978 10.106 1.00 63.41 H new ATOM 0 HD2 PRO A 343 0.666 -11.866 9.117 1.00 43.43 H new ATOM 0 HD3 PRO A 343 1.858 -12.289 10.330 1.00 43.43 H new ATOM 31 N TRP A 344 -2.111 -9.982 10.856 1.00 53.30 N ATOM 32 CA TRP A 344 -3.328 -9.206 10.648 1.00 24.12 C ATOM 33 C TRP A 344 -4.602 -10.033 10.900 1.00 30.41 C ATOM 34 O TRP A 344 -5.630 -9.495 11.319 1.00 32.25 O ATOM 35 CB TRP A 344 -3.341 -8.620 9.225 1.00 61.34 C ATOM 36 CG TRP A 344 -3.155 -9.647 8.144 1.00 70.43 C ATOM 37 CD1 TRP A 344 -4.070 -10.551 7.703 1.00 54.52 C ATOM 38 CD2 TRP A 344 -1.989 -9.856 7.341 1.00 14.22 C ATOM 39 NE1 TRP A 344 -3.526 -11.320 6.735 1.00 71.42 N ATOM 40 CE2 TRP A 344 -2.270 -10.908 6.482 1.00 55.12 C ATOM 41 CE3 TRP A 344 -0.741 -9.265 7.271 1.00 60.24 C ATOM 42 CZ2 TRP A 344 -1.362 -11.377 5.576 1.00 73.21 C ATOM 43 CZ3 TRP A 344 0.164 -9.733 6.355 1.00 52.33 C ATOM 44 CH2 TRP A 344 -0.159 -10.782 5.521 1.00 54.11 C ATOM 0 H TRP A 344 -1.778 -10.475 10.027 1.00 53.30 H new ATOM 0 HA TRP A 344 -3.326 -8.395 11.376 1.00 24.12 H new ATOM 0 HB2 TRP A 344 -4.287 -8.104 9.064 1.00 61.34 H new ATOM 0 HB3 TRP A 344 -2.552 -7.873 9.143 1.00 61.34 H new ATOM 0 HD1 TRP A 344 -5.081 -10.641 8.072 1.00 54.52 H new ATOM 0 HE1 TRP A 344 -3.996 -12.095 6.267 1.00 71.42 H new ATOM 0 HE3 TRP A 344 -0.484 -8.447 7.928 1.00 60.24 H new ATOM 0 HZ2 TRP A 344 -1.604 -12.202 4.923 1.00 73.21 H new ATOM 0 HZ3 TRP A 344 1.140 -9.276 6.286 1.00 52.33 H new ATOM 0 HH2 TRP A 344 0.572 -11.133 4.807 1.00 54.11 H new ATOM 55 N GLY A 345 -4.535 -11.329 10.644 1.00 54.11 N ATOM 56 CA GLY A 345 -5.706 -12.156 10.777 1.00 55.34 C ATOM 57 C GLY A 345 -5.556 -13.449 10.026 1.00 34.13 C ATOM 58 O GLY A 345 -4.464 -14.014 9.985 1.00 52.43 O ATOM 0 H GLY A 345 -3.691 -11.819 10.347 1.00 54.11 H new ATOM 0 HA2 GLY A 345 -5.887 -12.365 11.831 1.00 55.34 H new ATOM 0 HA3 GLY A 345 -6.577 -11.617 10.405 1.00 55.34 H new ATOM 62 N ALA A 346 -6.627 -13.896 9.387 1.00 33.12 N ATOM 63 CA ALA A 346 -6.619 -15.175 8.685 1.00 51.43 C ATOM 64 C ALA A 346 -6.464 -14.997 7.189 1.00 30.04 C ATOM 65 O ALA A 346 -6.333 -15.981 6.446 1.00 54.35 O ATOM 66 CB ALA A 346 -7.868 -15.972 8.995 1.00 30.13 C ATOM 0 H ALA A 346 -7.513 -13.394 9.339 1.00 33.12 H new ATOM 0 HA ALA A 346 -5.753 -15.731 9.044 1.00 51.43 H new ATOM 0 HB1 ALA A 346 -7.837 -16.921 8.459 1.00 30.13 H new ATOM 0 HB2 ALA A 346 -7.921 -16.162 10.067 1.00 30.13 H new ATOM 0 HB3 ALA A 346 -8.747 -15.408 8.682 1.00 30.13 H new ATOM 72 N GLU A 347 -6.511 -13.759 6.741 1.00 1.23 N ATOM 73 CA GLU A 347 -6.295 -13.439 5.337 1.00 65.20 C ATOM 74 C GLU A 347 -4.873 -13.810 4.996 1.00 1.24 C ATOM 75 O GLU A 347 -4.022 -13.785 5.867 1.00 71.45 O ATOM 76 CB GLU A 347 -6.497 -11.929 5.060 1.00 63.13 C ATOM 77 CG GLU A 347 -7.870 -11.352 5.423 1.00 70.30 C ATOM 78 CD GLU A 347 -8.142 -11.281 6.918 1.00 30.34 C ATOM 79 OE1 GLU A 347 -7.780 -10.274 7.550 1.00 5.23 O ATOM 80 OE2 GLU A 347 -8.728 -12.230 7.480 1.00 43.21 O ATOM 0 H GLU A 347 -6.698 -12.949 7.332 1.00 1.23 H new ATOM 0 HA GLU A 347 -7.014 -13.991 4.731 1.00 65.20 H new ATOM 0 HB2 GLU A 347 -5.736 -11.375 5.610 1.00 63.13 H new ATOM 0 HB3 GLU A 347 -6.319 -11.748 4.000 1.00 63.13 H new ATOM 0 HG2 GLU A 347 -7.953 -10.350 5.002 1.00 70.30 H new ATOM 0 HG3 GLU A 347 -8.643 -11.960 4.953 1.00 70.30 H new ATOM 87 N SER A 348 -4.597 -14.138 3.784 1.00 31.21 N ATOM 88 CA SER A 348 -3.261 -14.517 3.447 1.00 72.11 C ATOM 89 C SER A 348 -2.518 -13.305 2.976 1.00 45.13 C ATOM 90 O SER A 348 -3.142 -12.291 2.624 1.00 4.03 O ATOM 91 CB SER A 348 -3.269 -15.588 2.366 1.00 33.53 C ATOM 92 OG SER A 348 -4.049 -16.713 2.767 1.00 73.41 O ATOM 0 H SER A 348 -5.265 -14.154 3.014 1.00 31.21 H new ATOM 0 HA SER A 348 -2.766 -14.930 4.326 1.00 72.11 H new ATOM 0 HB2 SER A 348 -3.671 -15.173 1.441 1.00 33.53 H new ATOM 0 HB3 SER A 348 -2.248 -15.905 2.156 1.00 33.53 H new ATOM 0 HG SER A 348 -4.983 -16.573 2.506 1.00 73.41 H new ATOM 98 N TYR A 349 -1.203 -13.389 2.993 1.00 51.34 N ATOM 99 CA TYR A 349 -0.355 -12.332 2.506 1.00 42.13 C ATOM 100 C TYR A 349 -0.765 -11.963 1.123 1.00 32.04 C ATOM 101 O TYR A 349 -1.168 -10.856 0.896 1.00 24.33 O ATOM 102 CB TYR A 349 1.130 -12.738 2.538 1.00 22.21 C ATOM 103 CG TYR A 349 1.721 -12.885 3.925 1.00 61.05 C ATOM 104 CD1 TYR A 349 1.346 -13.923 4.766 1.00 65.04 C ATOM 105 CD2 TYR A 349 2.668 -11.974 4.390 1.00 61.43 C ATOM 106 CE1 TYR A 349 1.893 -14.052 6.026 1.00 61.21 C ATOM 107 CE2 TYR A 349 3.216 -12.098 5.651 1.00 1.45 C ATOM 108 CZ TYR A 349 2.824 -13.139 6.466 1.00 25.22 C ATOM 109 OH TYR A 349 3.373 -13.284 7.725 1.00 51.32 O ATOM 0 H TYR A 349 -0.695 -14.199 3.348 1.00 51.34 H new ATOM 0 HA TYR A 349 -0.470 -11.469 3.162 1.00 42.13 H new ATOM 0 HB2 TYR A 349 1.245 -13.684 2.008 1.00 22.21 H new ATOM 0 HB3 TYR A 349 1.707 -11.993 1.990 1.00 22.21 H new ATOM 0 HD1 TYR A 349 0.614 -14.642 4.429 1.00 65.04 H new ATOM 0 HD2 TYR A 349 2.978 -11.158 3.754 1.00 61.43 H new ATOM 0 HE1 TYR A 349 1.591 -14.868 6.666 1.00 61.21 H new ATOM 0 HE2 TYR A 349 3.948 -11.383 5.997 1.00 1.45 H new ATOM 0 HH TYR A 349 3.398 -14.234 7.963 1.00 51.32 H new ATOM 119 N SER A 350 -0.725 -12.924 0.225 1.00 0.24 N ATOM 120 CA SER A 350 -1.079 -12.702 -1.160 1.00 71.44 C ATOM 121 C SER A 350 -2.509 -12.128 -1.316 1.00 60.23 C ATOM 122 O SER A 350 -2.762 -11.372 -2.243 1.00 51.22 O ATOM 123 CB SER A 350 -0.905 -13.978 -1.961 1.00 41.02 C ATOM 124 OG SER A 350 0.424 -14.492 -1.826 1.00 74.52 O ATOM 0 H SER A 350 -0.446 -13.882 0.435 1.00 0.24 H new ATOM 0 HA SER A 350 -0.398 -11.949 -1.557 1.00 71.44 H new ATOM 0 HB2 SER A 350 -1.623 -14.725 -1.623 1.00 41.02 H new ATOM 0 HB3 SER A 350 -1.118 -13.784 -3.012 1.00 41.02 H new ATOM 0 HG SER A 350 0.511 -15.316 -2.350 1.00 74.52 H new ATOM 130 N ASP A 351 -3.436 -12.470 -0.383 1.00 41.32 N ATOM 131 CA ASP A 351 -4.791 -11.886 -0.418 1.00 61.20 C ATOM 132 C ASP A 351 -4.714 -10.397 -0.239 1.00 71.11 C ATOM 133 O ASP A 351 -5.266 -9.631 -1.038 1.00 70.04 O ATOM 134 CB ASP A 351 -5.740 -12.438 0.674 1.00 35.43 C ATOM 135 CG ASP A 351 -6.195 -13.860 0.488 1.00 62.42 C ATOM 136 OD1 ASP A 351 -6.895 -14.152 -0.516 1.00 35.41 O ATOM 137 OD2 ASP A 351 -5.933 -14.695 1.371 1.00 75.11 O ATOM 0 H ASP A 351 -3.272 -13.128 0.379 1.00 41.32 H new ATOM 0 HA ASP A 351 -5.200 -12.160 -1.390 1.00 61.20 H new ATOM 0 HB2 ASP A 351 -5.238 -12.360 1.638 1.00 35.43 H new ATOM 0 HB3 ASP A 351 -6.621 -11.798 0.721 1.00 35.43 H new ATOM 142 N LEU A 352 -4.032 -9.977 0.811 1.00 12.52 N ATOM 143 CA LEU A 352 -3.903 -8.572 1.106 1.00 4.14 C ATOM 144 C LEU A 352 -2.908 -7.858 0.185 1.00 41.31 C ATOM 145 O LEU A 352 -3.126 -6.703 -0.176 1.00 44.10 O ATOM 146 CB LEU A 352 -3.545 -8.355 2.550 1.00 43.23 C ATOM 147 CG LEU A 352 -4.560 -8.799 3.602 1.00 32.11 C ATOM 148 CD1 LEU A 352 -4.082 -8.378 4.955 1.00 34.20 C ATOM 149 CD2 LEU A 352 -5.933 -8.222 3.321 1.00 45.04 C ATOM 0 H LEU A 352 -3.560 -10.595 1.472 1.00 12.52 H new ATOM 0 HA LEU A 352 -4.879 -8.126 0.917 1.00 4.14 H new ATOM 0 HB2 LEU A 352 -2.608 -8.875 2.746 1.00 43.23 H new ATOM 0 HB3 LEU A 352 -3.355 -7.291 2.693 1.00 43.23 H new ATOM 0 HG LEU A 352 -4.649 -9.885 3.567 1.00 32.11 H new ATOM 0 HD11 LEU A 352 -4.803 -8.692 5.710 1.00 34.20 H new ATOM 0 HD12 LEU A 352 -3.117 -8.841 5.160 1.00 34.20 H new ATOM 0 HD13 LEU A 352 -3.978 -7.293 4.983 1.00 34.20 H new ATOM 0 HD21 LEU A 352 -6.632 -8.557 4.087 1.00 45.04 H new ATOM 0 HD22 LEU A 352 -5.879 -7.133 3.330 1.00 45.04 H new ATOM 0 HD23 LEU A 352 -6.277 -8.560 2.344 1.00 45.04 H new ATOM 161 N ILE A 353 -1.833 -8.545 -0.188 1.00 4.34 N ATOM 162 CA ILE A 353 -0.830 -7.992 -1.108 1.00 51.51 C ATOM 163 C ILE A 353 -1.496 -7.635 -2.418 1.00 10.54 C ATOM 164 O ILE A 353 -1.290 -6.546 -2.954 1.00 54.11 O ATOM 165 CB ILE A 353 0.327 -9.003 -1.392 1.00 23.54 C ATOM 166 CG1 ILE A 353 1.127 -9.301 -0.119 1.00 64.21 C ATOM 167 CG2 ILE A 353 1.247 -8.471 -2.471 1.00 14.31 C ATOM 168 CD1 ILE A 353 2.152 -10.420 -0.274 1.00 31.31 C ATOM 0 H ILE A 353 -1.628 -9.492 0.132 1.00 4.34 H new ATOM 0 HA ILE A 353 -0.401 -7.109 -0.635 1.00 51.51 H new ATOM 0 HB ILE A 353 -0.123 -9.933 -1.739 1.00 23.54 H new ATOM 0 HG12 ILE A 353 1.642 -8.393 0.195 1.00 64.21 H new ATOM 0 HG13 ILE A 353 0.434 -9.566 0.679 1.00 64.21 H new ATOM 0 HG21 ILE A 353 2.046 -9.189 -2.654 1.00 14.31 H new ATOM 0 HG22 ILE A 353 0.680 -8.317 -3.389 1.00 14.31 H new ATOM 0 HG23 ILE A 353 1.678 -7.524 -2.147 1.00 14.31 H new ATOM 0 HD11 ILE A 353 2.675 -10.568 0.671 1.00 31.31 H new ATOM 0 HD12 ILE A 353 1.644 -11.342 -0.556 1.00 31.31 H new ATOM 0 HD13 ILE A 353 2.871 -10.150 -1.048 1.00 31.31 H new ATOM 180 N ALA A 354 -2.316 -8.551 -2.917 1.00 24.44 N ATOM 181 CA ALA A 354 -3.035 -8.319 -4.138 1.00 21.33 C ATOM 182 C ALA A 354 -3.990 -7.151 -3.982 1.00 21.51 C ATOM 183 O ALA A 354 -4.099 -6.350 -4.876 1.00 41.22 O ATOM 184 CB ALA A 354 -3.762 -9.565 -4.597 1.00 30.24 C ATOM 0 H ALA A 354 -2.492 -9.459 -2.486 1.00 24.44 H new ATOM 0 HA ALA A 354 -2.310 -8.064 -4.911 1.00 21.33 H new ATOM 0 HB1 ALA A 354 -4.296 -9.354 -5.524 1.00 30.24 H new ATOM 0 HB2 ALA A 354 -3.041 -10.365 -4.767 1.00 30.24 H new ATOM 0 HB3 ALA A 354 -4.473 -9.874 -3.831 1.00 30.24 H new ATOM 190 N LYS A 355 -4.668 -7.043 -2.813 1.00 21.42 N ATOM 191 CA LYS A 355 -5.574 -5.903 -2.561 1.00 45.53 C ATOM 192 C LYS A 355 -4.817 -4.593 -2.620 1.00 44.32 C ATOM 193 O LYS A 355 -5.307 -3.609 -3.168 1.00 5.45 O ATOM 194 CB LYS A 355 -6.264 -5.964 -1.198 1.00 1.42 C ATOM 195 CG LYS A 355 -7.235 -7.050 -0.974 1.00 1.21 C ATOM 196 CD LYS A 355 -7.856 -6.816 0.370 1.00 40.41 C ATOM 197 CE LYS A 355 -9.039 -7.671 0.597 1.00 63.22 C ATOM 198 NZ LYS A 355 -8.712 -9.108 0.690 1.00 12.32 N ATOM 0 H LYS A 355 -4.606 -7.715 -2.049 1.00 21.42 H new ATOM 0 HA LYS A 355 -6.332 -5.965 -3.342 1.00 45.53 H new ATOM 0 HB2 LYS A 355 -5.491 -6.041 -0.433 1.00 1.42 H new ATOM 0 HB3 LYS A 355 -6.777 -5.016 -1.038 1.00 1.42 H new ATOM 0 HG2 LYS A 355 -7.996 -7.053 -1.754 1.00 1.21 H new ATOM 0 HG3 LYS A 355 -6.741 -8.021 -1.006 1.00 1.21 H new ATOM 0 HD2 LYS A 355 -7.117 -7.008 1.148 1.00 40.41 H new ATOM 0 HD3 LYS A 355 -8.145 -5.769 0.457 1.00 40.41 H new ATOM 0 HE2 LYS A 355 -9.534 -7.358 1.516 1.00 63.22 H new ATOM 0 HE3 LYS A 355 -9.750 -7.519 -0.215 1.00 63.22 H new ATOM 0 HZ1 LYS A 355 -9.265 -9.636 -0.014 1.00 12.32 H new ATOM 0 HZ2 LYS A 355 -7.697 -9.246 0.507 1.00 12.32 H new ATOM 0 HZ3 LYS A 355 -8.942 -9.456 1.643 1.00 12.32 H new ATOM 212 N ALA A 356 -3.638 -4.585 -2.036 1.00 1.02 N ATOM 213 CA ALA A 356 -2.801 -3.408 -2.035 1.00 0.51 C ATOM 214 C ALA A 356 -2.417 -3.066 -3.433 1.00 12.15 C ATOM 215 O ALA A 356 -2.653 -1.958 -3.893 1.00 5.42 O ATOM 216 CB ALA A 356 -1.559 -3.626 -1.176 1.00 75.11 C ATOM 0 H ALA A 356 -3.236 -5.388 -1.552 1.00 1.02 H new ATOM 0 HA ALA A 356 -3.362 -2.578 -1.606 1.00 0.51 H new ATOM 0 HB1 ALA A 356 -0.944 -2.726 -1.191 1.00 75.11 H new ATOM 0 HB2 ALA A 356 -1.859 -3.844 -0.151 1.00 75.11 H new ATOM 0 HB3 ALA A 356 -0.985 -4.464 -1.572 1.00 75.11 H new ATOM 222 N LEU A 357 -1.891 -4.048 -4.119 1.00 62.22 N ATOM 223 CA LEU A 357 -1.416 -3.917 -5.482 1.00 54.31 C ATOM 224 C LEU A 357 -2.577 -3.444 -6.365 1.00 20.02 C ATOM 225 O LEU A 357 -2.404 -2.626 -7.245 1.00 61.21 O ATOM 226 CB LEU A 357 -0.961 -5.291 -5.927 1.00 64.25 C ATOM 227 CG LEU A 357 0.314 -5.389 -6.785 1.00 11.44 C ATOM 228 CD1 LEU A 357 0.150 -4.707 -8.134 1.00 11.23 C ATOM 229 CD2 LEU A 357 1.513 -4.809 -6.039 1.00 45.20 C ATOM 0 H LEU A 357 -1.776 -4.988 -3.739 1.00 62.22 H new ATOM 0 HA LEU A 357 -0.599 -3.199 -5.556 1.00 54.31 H new ATOM 0 HB2 LEU A 357 -0.810 -5.898 -5.034 1.00 64.25 H new ATOM 0 HB3 LEU A 357 -1.777 -5.747 -6.488 1.00 64.25 H new ATOM 0 HG LEU A 357 0.493 -6.448 -6.973 1.00 11.44 H new ATOM 0 HD11 LEU A 357 1.074 -4.802 -8.704 1.00 11.23 H new ATOM 0 HD12 LEU A 357 -0.665 -5.178 -8.683 1.00 11.23 H new ATOM 0 HD13 LEU A 357 -0.077 -3.652 -7.983 1.00 11.23 H new ATOM 0 HD21 LEU A 357 2.403 -4.888 -6.663 1.00 45.20 H new ATOM 0 HD22 LEU A 357 1.325 -3.761 -5.807 1.00 45.20 H new ATOM 0 HD23 LEU A 357 1.668 -5.363 -5.113 1.00 45.20 H new ATOM 241 N LYS A 358 -3.771 -3.947 -6.050 1.00 34.40 N ATOM 242 CA LYS A 358 -5.024 -3.598 -6.732 1.00 21.11 C ATOM 243 C LYS A 358 -5.317 -2.113 -6.775 1.00 63.33 C ATOM 244 O LYS A 358 -6.074 -1.660 -7.635 1.00 12.41 O ATOM 245 CB LYS A 358 -6.202 -4.304 -6.072 1.00 11.30 C ATOM 246 CG LYS A 358 -6.479 -5.707 -6.588 1.00 31.53 C ATOM 247 CD LYS A 358 -7.404 -5.727 -7.819 1.00 63.30 C ATOM 248 CE LYS A 358 -6.858 -4.964 -9.011 1.00 55.42 C ATOM 249 NZ LYS A 358 -7.790 -4.992 -10.145 1.00 24.42 N ATOM 0 H LYS A 358 -3.900 -4.623 -5.298 1.00 34.40 H new ATOM 0 HA LYS A 358 -4.890 -3.929 -7.762 1.00 21.11 H new ATOM 0 HB2 LYS A 358 -6.020 -4.357 -4.999 1.00 11.30 H new ATOM 0 HB3 LYS A 358 -7.096 -3.697 -6.214 1.00 11.30 H new ATOM 0 HG2 LYS A 358 -5.534 -6.187 -6.843 1.00 31.53 H new ATOM 0 HG3 LYS A 358 -6.931 -6.298 -5.792 1.00 31.53 H new ATOM 0 HD2 LYS A 358 -7.580 -6.762 -8.112 1.00 63.30 H new ATOM 0 HD3 LYS A 358 -8.370 -5.306 -7.542 1.00 63.30 H new ATOM 0 HE2 LYS A 358 -6.664 -3.930 -8.724 1.00 55.42 H new ATOM 0 HE3 LYS A 358 -5.904 -5.395 -9.313 1.00 55.42 H new ATOM 0 HZ1 LYS A 358 -7.384 -4.461 -10.941 1.00 24.42 H new ATOM 0 HZ2 LYS A 358 -7.955 -5.977 -10.434 1.00 24.42 H new ATOM 0 HZ3 LYS A 358 -8.692 -4.558 -9.864 1.00 24.42 H new ATOM 263 N SER A 359 -4.723 -1.351 -5.876 1.00 40.01 N ATOM 264 CA SER A 359 -4.965 0.077 -5.823 1.00 74.12 C ATOM 265 C SER A 359 -4.327 0.822 -7.044 1.00 71.25 C ATOM 266 O SER A 359 -4.688 1.962 -7.345 1.00 55.53 O ATOM 267 CB SER A 359 -4.443 0.636 -4.490 1.00 61.24 C ATOM 268 OG SER A 359 -3.023 0.559 -4.414 1.00 61.42 O ATOM 0 H SER A 359 -4.070 -1.697 -5.173 1.00 40.01 H new ATOM 0 HA SER A 359 -6.040 0.249 -5.883 1.00 74.12 H new ATOM 0 HB2 SER A 359 -4.759 1.673 -4.380 1.00 61.24 H new ATOM 0 HB3 SER A 359 -4.884 0.079 -3.663 1.00 61.24 H new ATOM 0 HG SER A 359 -2.766 -0.219 -3.877 1.00 61.42 H new ATOM 274 N THR A 360 -3.409 0.154 -7.746 1.00 53.01 N ATOM 275 CA THR A 360 -2.697 0.742 -8.890 1.00 30.32 C ATOM 276 C THR A 360 -2.088 -0.421 -9.732 1.00 21.35 C ATOM 277 O THR A 360 -1.038 -0.296 -10.388 1.00 64.14 O ATOM 278 CB THR A 360 -1.574 1.670 -8.335 1.00 62.44 C ATOM 279 OG1 THR A 360 -0.876 2.340 -9.395 1.00 12.41 O ATOM 280 CG2 THR A 360 -0.590 0.858 -7.538 1.00 52.54 C ATOM 0 H THR A 360 -3.137 -0.807 -7.541 1.00 53.01 H new ATOM 0 HA THR A 360 -3.364 1.328 -9.523 1.00 30.32 H new ATOM 0 HB THR A 360 -2.046 2.420 -7.701 1.00 62.44 H new ATOM 0 HG1 THR A 360 -0.676 1.701 -10.110 1.00 12.41 H new ATOM 0 HG21 THR A 360 0.193 1.511 -7.152 1.00 52.54 H new ATOM 0 HG22 THR A 360 -1.104 0.377 -6.706 1.00 52.54 H new ATOM 0 HG23 THR A 360 -0.144 0.096 -8.178 1.00 52.54 H new ATOM 288 N PHE A 361 -2.842 -1.501 -9.770 1.00 4.15 N ATOM 289 CA PHE A 361 -2.441 -2.815 -10.312 1.00 11.41 C ATOM 290 C PHE A 361 -2.066 -2.749 -11.781 1.00 71.42 C ATOM 291 O PHE A 361 -1.293 -3.566 -12.273 1.00 3.41 O ATOM 292 CB PHE A 361 -3.637 -3.749 -10.169 1.00 74.33 C ATOM 293 CG PHE A 361 -3.337 -5.226 -10.206 1.00 24.42 C ATOM 294 CD1 PHE A 361 -3.124 -5.900 -11.396 1.00 65.54 C ATOM 295 CD2 PHE A 361 -3.287 -5.937 -9.027 1.00 72.34 C ATOM 296 CE1 PHE A 361 -2.861 -7.256 -11.397 1.00 12.03 C ATOM 297 CE2 PHE A 361 -3.032 -7.279 -9.018 1.00 13.33 C ATOM 298 CZ PHE A 361 -2.815 -7.949 -10.205 1.00 21.42 C ATOM 0 H PHE A 361 -3.797 -1.503 -9.411 1.00 4.15 H new ATOM 0 HA PHE A 361 -1.565 -3.162 -9.763 1.00 11.41 H new ATOM 0 HB2 PHE A 361 -4.136 -3.524 -9.226 1.00 74.33 H new ATOM 0 HB3 PHE A 361 -4.345 -3.523 -10.966 1.00 74.33 H new ATOM 0 HD1 PHE A 361 -3.164 -5.361 -12.331 1.00 65.54 H new ATOM 0 HD2 PHE A 361 -3.453 -5.423 -8.092 1.00 72.34 H new ATOM 0 HE1 PHE A 361 -2.692 -7.773 -12.330 1.00 12.03 H new ATOM 0 HE2 PHE A 361 -3.000 -7.816 -8.082 1.00 13.33 H new ATOM 0 HZ PHE A 361 -2.610 -9.009 -10.201 1.00 21.42 H new ATOM 308 N ASP A 362 -2.586 -1.768 -12.463 1.00 43.22 N ATOM 309 CA ASP A 362 -2.430 -1.705 -13.910 1.00 44.52 C ATOM 310 C ASP A 362 -1.092 -1.118 -14.288 1.00 75.40 C ATOM 311 O ASP A 362 -0.667 -1.213 -15.442 1.00 32.14 O ATOM 312 CB ASP A 362 -3.565 -0.898 -14.557 1.00 64.23 C ATOM 313 CG ASP A 362 -3.564 0.560 -14.165 1.00 2.30 C ATOM 314 OD1 ASP A 362 -4.040 0.884 -13.073 1.00 20.13 O ATOM 315 OD2 ASP A 362 -3.087 1.406 -14.962 1.00 30.02 O ATOM 0 H ASP A 362 -3.120 -1.001 -12.055 1.00 43.22 H new ATOM 0 HA ASP A 362 -2.477 -2.727 -14.287 1.00 44.52 H new ATOM 0 HB2 ASP A 362 -3.483 -0.975 -15.641 1.00 64.23 H new ATOM 0 HB3 ASP A 362 -4.521 -1.341 -14.277 1.00 64.23 H new ATOM 320 N GLY A 363 -0.418 -0.554 -13.321 1.00 45.14 N ATOM 321 CA GLY A 363 0.864 0.023 -13.565 1.00 11.43 C ATOM 322 C GLY A 363 1.899 -0.593 -12.680 1.00 44.11 C ATOM 323 O GLY A 363 2.531 -1.577 -13.055 1.00 41.40 O ATOM 0 H GLY A 363 -0.742 -0.485 -12.356 1.00 45.14 H new ATOM 0 HA2 GLY A 363 1.140 -0.121 -14.610 1.00 11.43 H new ATOM 0 HA3 GLY A 363 0.823 1.098 -13.391 1.00 11.43 H new ATOM 327 N ARG A 364 2.073 -0.032 -11.503 1.00 41.52 N ATOM 328 CA ARG A 364 3.033 -0.527 -10.546 1.00 51.45 C ATOM 329 C ARG A 364 2.689 -0.024 -9.177 1.00 63.32 C ATOM 330 O ARG A 364 2.060 1.038 -9.052 1.00 24.23 O ATOM 331 CB ARG A 364 4.504 -0.147 -10.955 1.00 71.34 C ATOM 332 CG ARG A 364 4.809 1.362 -11.156 1.00 24.13 C ATOM 333 CD ARG A 364 4.760 2.175 -9.857 1.00 22.44 C ATOM 334 NE ARG A 364 4.987 3.599 -10.080 1.00 1.32 N ATOM 335 CZ ARG A 364 4.643 4.581 -9.235 1.00 11.34 C ATOM 336 NH1 ARG A 364 3.991 4.302 -8.088 1.00 14.24 N ATOM 337 NH2 ARG A 364 4.929 5.842 -9.544 1.00 22.32 N ATOM 0 H ARG A 364 1.550 0.783 -11.184 1.00 41.52 H new ATOM 0 HA ARG A 364 2.986 -1.616 -10.535 1.00 51.45 H new ATOM 0 HB2 ARG A 364 5.179 -0.531 -10.190 1.00 71.34 H new ATOM 0 HB3 ARG A 364 4.744 -0.668 -11.882 1.00 71.34 H new ATOM 0 HG2 ARG A 364 5.797 1.468 -11.604 1.00 24.13 H new ATOM 0 HG3 ARG A 364 4.091 1.778 -11.863 1.00 24.13 H new ATOM 0 HD2 ARG A 364 3.789 2.035 -9.381 1.00 22.44 H new ATOM 0 HD3 ARG A 364 5.512 1.794 -9.165 1.00 22.44 H new ATOM 0 HE ARG A 364 5.445 3.869 -10.950 1.00 1.32 H new ATOM 0 HH11 ARG A 364 3.755 3.337 -7.857 1.00 14.24 H new ATOM 0 HH12 ARG A 364 3.733 5.056 -7.451 1.00 14.24 H new ATOM 0 HH21 ARG A 364 5.407 6.057 -10.419 1.00 22.32 H new ATOM 0 HH22 ARG A 364 4.670 6.595 -8.906 1.00 22.32 H new ATOM 351 N MET A 365 3.078 -0.740 -8.161 1.00 14.15 N ATOM 352 CA MET A 365 2.925 -0.238 -6.827 1.00 34.55 C ATOM 353 C MET A 365 4.264 -0.282 -6.216 1.00 1.53 C ATOM 354 O MET A 365 5.022 -1.237 -6.446 1.00 42.12 O ATOM 355 CB MET A 365 1.966 -1.064 -5.976 1.00 60.31 C ATOM 356 CG MET A 365 1.497 -0.323 -4.744 1.00 63.14 C ATOM 357 SD MET A 365 0.303 -1.237 -3.789 1.00 41.32 S ATOM 358 CE MET A 365 -0.182 0.007 -2.607 1.00 72.04 C ATOM 0 H MET A 365 3.500 -1.666 -8.230 1.00 14.15 H new ATOM 0 HA MET A 365 2.503 0.766 -6.873 1.00 34.55 H new ATOM 0 HB2 MET A 365 1.102 -1.345 -6.578 1.00 60.31 H new ATOM 0 HB3 MET A 365 2.458 -1.989 -5.674 1.00 60.31 H new ATOM 0 HG2 MET A 365 2.358 -0.095 -4.115 1.00 63.14 H new ATOM 0 HG3 MET A 365 1.060 0.629 -5.045 1.00 63.14 H new ATOM 0 HE1 MET A 365 -1.255 -0.061 -2.426 1.00 72.04 H new ATOM 0 HE2 MET A 365 0.354 -0.151 -1.671 1.00 72.04 H new ATOM 0 HE3 MET A 365 0.058 0.995 -3.000 1.00 72.04 H new ATOM 368 N ARG A 366 4.606 0.714 -5.486 1.00 15.11 N ATOM 369 CA ARG A 366 5.865 0.711 -4.865 1.00 12.22 C ATOM 370 C ARG A 366 5.820 -0.151 -3.654 1.00 11.20 C ATOM 371 O ARG A 366 4.792 -0.227 -2.975 1.00 73.02 O ATOM 372 CB ARG A 366 6.332 2.088 -4.557 1.00 25.34 C ATOM 373 CG ARG A 366 6.411 2.926 -5.796 1.00 34.51 C ATOM 374 CD ARG A 366 7.014 4.244 -5.520 1.00 75.02 C ATOM 375 NE ARG A 366 6.306 4.961 -4.457 1.00 52.20 N ATOM 376 CZ ARG A 366 5.992 6.253 -4.448 1.00 35.12 C ATOM 377 NH1 ARG A 366 6.249 7.019 -5.498 1.00 23.23 N ATOM 378 NH2 ARG A 366 5.410 6.774 -3.369 1.00 14.14 N ATOM 0 H ARG A 366 4.030 1.537 -5.308 1.00 15.11 H new ATOM 0 HA ARG A 366 6.597 0.294 -5.557 1.00 12.22 H new ATOM 0 HB2 ARG A 366 5.652 2.554 -3.843 1.00 25.34 H new ATOM 0 HB3 ARG A 366 7.312 2.044 -4.082 1.00 25.34 H new ATOM 0 HG2 ARG A 366 7.000 2.406 -6.551 1.00 34.51 H new ATOM 0 HG3 ARG A 366 5.412 3.061 -6.209 1.00 34.51 H new ATOM 0 HD2 ARG A 366 8.058 4.112 -5.235 1.00 75.02 H new ATOM 0 HD3 ARG A 366 7.005 4.844 -6.430 1.00 75.02 H new ATOM 0 HE ARG A 366 6.026 4.415 -3.642 1.00 52.20 H new ATOM 0 HH11 ARG A 366 6.692 6.619 -6.325 1.00 23.23 H new ATOM 0 HH12 ARG A 366 6.004 8.009 -5.479 1.00 23.23 H new ATOM 0 HH21 ARG A 366 5.210 6.183 -2.562 1.00 14.14 H new ATOM 0 HH22 ARG A 366 5.164 7.764 -3.350 1.00 14.14 H new ATOM 392 N LEU A 367 6.900 -0.811 -3.394 1.00 22.52 N ATOM 393 CA LEU A 367 7.005 -1.737 -2.300 1.00 32.12 C ATOM 394 C LEU A 367 6.707 -1.056 -0.961 1.00 62.13 C ATOM 395 O LEU A 367 6.062 -1.637 -0.088 1.00 34.44 O ATOM 396 CB LEU A 367 8.375 -2.390 -2.361 1.00 0.04 C ATOM 397 CG LEU A 367 8.742 -3.416 -1.305 1.00 44.10 C ATOM 398 CD1 LEU A 367 7.644 -4.462 -1.134 1.00 11.52 C ATOM 399 CD2 LEU A 367 9.999 -4.095 -1.760 1.00 72.14 C ATOM 0 H LEU A 367 7.755 -0.724 -3.943 1.00 22.52 H new ATOM 0 HA LEU A 367 6.252 -2.520 -2.387 1.00 32.12 H new ATOM 0 HB2 LEU A 367 8.469 -2.870 -3.335 1.00 0.04 H new ATOM 0 HB3 LEU A 367 9.121 -1.596 -2.324 1.00 0.04 H new ATOM 0 HG LEU A 367 8.875 -2.916 -0.345 1.00 44.10 H new ATOM 0 HD11 LEU A 367 7.941 -5.180 -0.370 1.00 11.52 H new ATOM 0 HD12 LEU A 367 6.719 -3.972 -0.831 1.00 11.52 H new ATOM 0 HD13 LEU A 367 7.486 -4.982 -2.079 1.00 11.52 H new ATOM 0 HD21 LEU A 367 10.296 -4.842 -1.024 1.00 72.14 H new ATOM 0 HD22 LEU A 367 9.823 -4.581 -2.720 1.00 72.14 H new ATOM 0 HD23 LEU A 367 10.793 -3.356 -1.867 1.00 72.14 H new ATOM 411 N ASN A 368 7.134 0.182 -0.826 1.00 74.22 N ATOM 412 CA ASN A 368 6.819 0.956 0.361 1.00 11.24 C ATOM 413 C ASN A 368 5.345 1.327 0.425 1.00 63.13 C ATOM 414 O ASN A 368 4.764 1.358 1.503 1.00 65.53 O ATOM 415 CB ASN A 368 7.723 2.177 0.530 1.00 10.13 C ATOM 416 CG ASN A 368 9.140 1.806 0.907 1.00 14.22 C ATOM 417 OD1 ASN A 368 9.469 1.706 2.091 1.00 60.40 O ATOM 418 ND2 ASN A 368 9.982 1.594 -0.069 1.00 21.42 N ATOM 0 H ASN A 368 7.698 0.674 -1.519 1.00 74.22 H new ATOM 0 HA ASN A 368 7.024 0.305 1.211 1.00 11.24 H new ATOM 0 HB2 ASN A 368 7.736 2.746 -0.400 1.00 10.13 H new ATOM 0 HB3 ASN A 368 7.306 2.829 1.297 1.00 10.13 H new ATOM 0 HD21 ASN A 368 10.947 1.336 0.137 1.00 21.42 H new ATOM 0 HD22 ASN A 368 9.674 1.686 -1.037 1.00 21.42 H new ATOM 425 N GLU A 369 4.727 1.565 -0.740 1.00 14.11 N ATOM 426 CA GLU A 369 3.291 1.872 -0.799 1.00 61.41 C ATOM 427 C GLU A 369 2.495 0.687 -0.303 1.00 61.55 C ATOM 428 O GLU A 369 1.520 0.850 0.406 1.00 14.34 O ATOM 429 CB GLU A 369 2.833 2.244 -2.209 1.00 22.14 C ATOM 430 CG GLU A 369 3.442 3.509 -2.765 1.00 12.31 C ATOM 431 CD GLU A 369 2.952 3.818 -4.161 1.00 60.33 C ATOM 432 OE1 GLU A 369 3.351 3.122 -5.112 1.00 23.13 O ATOM 433 OE2 GLU A 369 2.147 4.760 -4.316 1.00 23.02 O ATOM 0 H GLU A 369 5.194 1.551 -1.647 1.00 14.11 H new ATOM 0 HA GLU A 369 3.117 2.737 -0.159 1.00 61.41 H new ATOM 0 HB2 GLU A 369 3.069 1.419 -2.881 1.00 22.14 H new ATOM 0 HB3 GLU A 369 1.748 2.352 -2.206 1.00 22.14 H new ATOM 0 HG2 GLU A 369 3.204 4.344 -2.106 1.00 12.31 H new ATOM 0 HG3 GLU A 369 4.528 3.412 -2.777 1.00 12.31 H new ATOM 440 N ILE A 370 2.919 -0.511 -0.705 1.00 31.55 N ATOM 441 CA ILE A 370 2.336 -1.758 -0.209 1.00 4.23 C ATOM 442 C ILE A 370 2.353 -1.797 1.317 1.00 31.43 C ATOM 443 O ILE A 370 1.331 -2.059 1.941 1.00 42.34 O ATOM 444 CB ILE A 370 3.100 -2.966 -0.791 1.00 12.23 C ATOM 445 CG1 ILE A 370 2.890 -2.992 -2.299 1.00 12.54 C ATOM 446 CG2 ILE A 370 2.679 -4.306 -0.138 1.00 52.31 C ATOM 447 CD1 ILE A 370 3.665 -4.042 -2.983 1.00 10.51 C ATOM 0 H ILE A 370 3.672 -0.645 -1.380 1.00 31.55 H new ATOM 0 HA ILE A 370 1.297 -1.808 -0.535 1.00 4.23 H new ATOM 0 HB ILE A 370 4.160 -2.849 -0.566 1.00 12.23 H new ATOM 0 HG12 ILE A 370 1.830 -3.140 -2.508 1.00 12.54 H new ATOM 0 HG13 ILE A 370 3.164 -2.022 -2.713 1.00 12.54 H new ATOM 0 HG21 ILE A 370 3.247 -5.122 -0.584 1.00 52.31 H new ATOM 0 HG22 ILE A 370 2.879 -4.268 0.933 1.00 52.31 H new ATOM 0 HG23 ILE A 370 1.614 -4.472 -0.303 1.00 52.31 H new ATOM 0 HD11 ILE A 370 3.466 -4.001 -4.054 1.00 10.51 H new ATOM 0 HD12 ILE A 370 4.729 -3.884 -2.805 1.00 10.51 H new ATOM 0 HD13 ILE A 370 3.374 -5.019 -2.597 1.00 10.51 H new ATOM 459 N TYR A 371 3.502 -1.498 1.910 1.00 53.31 N ATOM 460 CA TYR A 371 3.612 -1.470 3.371 1.00 61.15 C ATOM 461 C TYR A 371 2.666 -0.421 3.954 1.00 5.12 C ATOM 462 O TYR A 371 1.968 -0.667 4.944 1.00 52.35 O ATOM 463 CB TYR A 371 5.045 -1.179 3.834 1.00 4.34 C ATOM 464 CG TYR A 371 6.097 -2.147 3.333 1.00 24.55 C ATOM 465 CD1 TYR A 371 5.903 -3.524 3.374 1.00 40.33 C ATOM 466 CD2 TYR A 371 7.309 -1.678 2.851 1.00 45.12 C ATOM 467 CE1 TYR A 371 6.880 -4.389 2.944 1.00 32.15 C ATOM 468 CE2 TYR A 371 8.288 -2.538 2.417 1.00 23.45 C ATOM 469 CZ TYR A 371 8.068 -3.891 2.465 1.00 61.20 C ATOM 470 OH TYR A 371 9.040 -4.748 2.038 1.00 44.35 O ATOM 0 H TYR A 371 4.364 -1.273 1.413 1.00 53.31 H new ATOM 0 HA TYR A 371 3.335 -2.460 3.733 1.00 61.15 H new ATOM 0 HB2 TYR A 371 5.316 -0.174 3.511 1.00 4.34 H new ATOM 0 HB3 TYR A 371 5.064 -1.179 4.924 1.00 4.34 H new ATOM 0 HD1 TYR A 371 4.971 -3.919 3.749 1.00 40.33 H new ATOM 0 HD2 TYR A 371 7.487 -0.613 2.816 1.00 45.12 H new ATOM 0 HE1 TYR A 371 6.715 -5.456 2.982 1.00 32.15 H new ATOM 0 HE2 TYR A 371 9.224 -2.152 2.041 1.00 23.45 H new ATOM 0 HH TYR A 371 9.816 -4.235 1.729 1.00 44.35 H new ATOM 480 N ASN A 372 2.633 0.730 3.316 1.00 43.13 N ATOM 481 CA ASN A 372 1.765 1.837 3.732 1.00 33.11 C ATOM 482 C ASN A 372 0.301 1.456 3.632 1.00 40.22 C ATOM 483 O ASN A 372 -0.512 1.887 4.451 1.00 13.42 O ATOM 484 CB ASN A 372 2.031 3.123 2.922 1.00 24.14 C ATOM 485 CG ASN A 372 3.422 3.694 3.130 1.00 44.50 C ATOM 486 OD1 ASN A 372 4.026 3.529 4.193 1.00 60.42 O ATOM 487 ND2 ASN A 372 3.936 4.378 2.133 1.00 14.01 N ATOM 0 H ASN A 372 3.202 0.935 2.495 1.00 43.13 H new ATOM 0 HA ASN A 372 2.005 2.043 4.775 1.00 33.11 H new ATOM 0 HB2 ASN A 372 1.889 2.911 1.862 1.00 24.14 H new ATOM 0 HB3 ASN A 372 1.293 3.876 3.198 1.00 24.14 H new ATOM 0 HD21 ASN A 372 4.863 4.793 2.224 1.00 14.01 H new ATOM 0 HD22 ASN A 372 3.408 4.494 1.268 1.00 14.01 H new ATOM 494 N TRP A 373 -0.036 0.645 2.635 1.00 3.21 N ATOM 495 CA TRP A 373 -1.393 0.162 2.445 1.00 2.11 C ATOM 496 C TRP A 373 -1.831 -0.605 3.672 1.00 21.10 C ATOM 497 O TRP A 373 -2.904 -0.344 4.226 1.00 52.01 O ATOM 498 CB TRP A 373 -1.478 -0.738 1.210 1.00 41.21 C ATOM 499 CG TRP A 373 -2.865 -1.236 0.897 1.00 63.42 C ATOM 500 CD1 TRP A 373 -3.743 -0.688 0.017 1.00 20.01 C ATOM 501 CD2 TRP A 373 -3.526 -2.394 1.454 1.00 20.33 C ATOM 502 NE1 TRP A 373 -4.901 -1.417 -0.017 1.00 45.24 N ATOM 503 CE2 TRP A 373 -4.795 -2.475 0.857 1.00 61.24 C ATOM 504 CE3 TRP A 373 -3.157 -3.362 2.396 1.00 72.44 C ATOM 505 CZ2 TRP A 373 -5.702 -3.496 1.175 1.00 30.51 C ATOM 506 CZ3 TRP A 373 -4.051 -4.362 2.706 1.00 0.21 C ATOM 507 CH2 TRP A 373 -5.306 -4.423 2.097 1.00 41.52 C ATOM 0 H TRP A 373 0.626 0.306 1.937 1.00 3.21 H new ATOM 0 HA TRP A 373 -2.052 1.017 2.293 1.00 2.11 H new ATOM 0 HB2 TRP A 373 -1.099 -0.188 0.348 1.00 41.21 H new ATOM 0 HB3 TRP A 373 -0.821 -1.596 1.355 1.00 41.21 H new ATOM 0 HD1 TRP A 373 -3.554 0.197 -0.572 1.00 20.01 H new ATOM 0 HE1 TRP A 373 -5.713 -1.209 -0.598 1.00 45.24 H new ATOM 0 HE3 TRP A 373 -2.188 -3.325 2.871 1.00 72.44 H new ATOM 0 HZ2 TRP A 373 -6.675 -3.547 0.709 1.00 30.51 H new ATOM 0 HZ3 TRP A 373 -3.777 -5.112 3.433 1.00 0.21 H new ATOM 0 HH2 TRP A 373 -5.981 -5.224 2.362 1.00 41.52 H new ATOM 518 N PHE A 374 -0.995 -1.548 4.101 1.00 34.14 N ATOM 519 CA PHE A 374 -1.271 -2.347 5.286 1.00 33.34 C ATOM 520 C PHE A 374 -1.381 -1.479 6.513 1.00 63.53 C ATOM 521 O PHE A 374 -2.307 -1.618 7.278 1.00 32.42 O ATOM 522 CB PHE A 374 -0.209 -3.429 5.514 1.00 40.02 C ATOM 523 CG PHE A 374 -0.219 -4.580 4.547 1.00 63.15 C ATOM 524 CD1 PHE A 374 0.438 -4.505 3.340 1.00 73.41 C ATOM 525 CD2 PHE A 374 -0.878 -5.751 4.869 1.00 74.25 C ATOM 526 CE1 PHE A 374 0.438 -5.573 2.465 1.00 21.51 C ATOM 527 CE2 PHE A 374 -0.879 -6.820 4.004 1.00 52.11 C ATOM 528 CZ PHE A 374 -0.221 -6.733 2.799 1.00 60.23 C ATOM 0 H PHE A 374 -0.115 -1.776 3.639 1.00 34.14 H new ATOM 0 HA PHE A 374 -2.226 -2.842 5.110 1.00 33.34 H new ATOM 0 HB2 PHE A 374 0.774 -2.958 5.477 1.00 40.02 H new ATOM 0 HB3 PHE A 374 -0.335 -3.826 6.521 1.00 40.02 H new ATOM 0 HD1 PHE A 374 0.961 -3.598 3.074 1.00 73.41 H new ATOM 0 HD2 PHE A 374 -1.399 -5.828 5.812 1.00 74.25 H new ATOM 0 HE1 PHE A 374 0.955 -5.498 1.520 1.00 21.51 H new ATOM 0 HE2 PHE A 374 -1.397 -7.729 4.271 1.00 52.11 H new ATOM 0 HZ PHE A 374 -0.222 -7.572 2.119 1.00 60.23 H new ATOM 538 N ALA A 375 -0.449 -0.574 6.673 1.00 43.33 N ATOM 539 CA ALA A 375 -0.429 0.314 7.837 1.00 54.14 C ATOM 540 C ALA A 375 -1.692 1.180 7.901 1.00 75.11 C ATOM 541 O ALA A 375 -2.218 1.465 8.977 1.00 61.53 O ATOM 542 CB ALA A 375 0.817 1.183 7.815 1.00 32.25 C ATOM 0 H ALA A 375 0.315 -0.422 6.015 1.00 43.33 H new ATOM 0 HA ALA A 375 -0.409 -0.306 8.734 1.00 54.14 H new ATOM 0 HB1 ALA A 375 0.819 1.838 8.686 1.00 32.25 H new ATOM 0 HB2 ALA A 375 1.703 0.549 7.836 1.00 32.25 H new ATOM 0 HB3 ALA A 375 0.824 1.786 6.907 1.00 32.25 H new ATOM 548 N SER A 376 -2.156 1.594 6.758 1.00 21.21 N ATOM 549 CA SER A 376 -3.336 2.415 6.664 1.00 34.44 C ATOM 550 C SER A 376 -4.638 1.590 6.798 1.00 63.24 C ATOM 551 O SER A 376 -5.539 1.969 7.546 1.00 61.43 O ATOM 552 CB SER A 376 -3.324 3.179 5.346 1.00 44.54 C ATOM 553 OG SER A 376 -2.116 3.917 5.201 1.00 74.41 O ATOM 0 H SER A 376 -1.728 1.373 5.859 1.00 21.21 H new ATOM 0 HA SER A 376 -3.319 3.118 7.497 1.00 34.44 H new ATOM 0 HB2 SER A 376 -3.431 2.482 4.515 1.00 44.54 H new ATOM 0 HB3 SER A 376 -4.177 3.857 5.306 1.00 44.54 H new ATOM 0 HG SER A 376 -1.395 3.314 4.923 1.00 74.41 H new ATOM 559 N ASN A 377 -4.720 0.452 6.105 1.00 3.54 N ATOM 560 CA ASN A 377 -5.970 -0.333 6.078 1.00 70.23 C ATOM 561 C ASN A 377 -6.079 -1.351 7.197 1.00 22.31 C ATOM 562 O ASN A 377 -7.180 -1.809 7.516 1.00 3.44 O ATOM 563 CB ASN A 377 -6.236 -0.990 4.696 1.00 31.52 C ATOM 564 CG ASN A 377 -6.618 0.014 3.629 1.00 2.12 C ATOM 565 OD1 ASN A 377 -7.801 0.319 3.449 1.00 35.52 O ATOM 566 ND2 ASN A 377 -5.646 0.518 2.910 1.00 35.05 N ATOM 0 H ASN A 377 -3.954 0.053 5.562 1.00 3.54 H new ATOM 0 HA ASN A 377 -6.757 0.401 6.252 1.00 70.23 H new ATOM 0 HB2 ASN A 377 -5.343 -1.529 4.378 1.00 31.52 H new ATOM 0 HB3 ASN A 377 -7.033 -1.726 4.797 1.00 31.52 H new ATOM 0 HD21 ASN A 377 -5.854 1.188 2.170 1.00 35.05 H new ATOM 0 HD22 ASN A 377 -4.681 0.240 3.090 1.00 35.05 H new ATOM 573 N VAL A 378 -4.973 -1.715 7.780 1.00 44.00 N ATOM 574 CA VAL A 378 -4.971 -2.658 8.875 1.00 24.54 C ATOM 575 C VAL A 378 -4.491 -1.958 10.149 1.00 74.22 C ATOM 576 O VAL A 378 -3.335 -1.509 10.227 1.00 5.04 O ATOM 577 CB VAL A 378 -4.074 -3.889 8.579 1.00 13.44 C ATOM 578 CG1 VAL A 378 -4.098 -4.883 9.737 1.00 42.11 C ATOM 579 CG2 VAL A 378 -4.494 -4.569 7.281 1.00 53.30 C ATOM 0 H VAL A 378 -4.049 -1.372 7.516 1.00 44.00 H new ATOM 0 HA VAL A 378 -5.990 -3.020 9.008 1.00 24.54 H new ATOM 0 HB VAL A 378 -3.051 -3.531 8.464 1.00 13.44 H new ATOM 0 HG11 VAL A 378 -3.460 -5.734 9.499 1.00 42.11 H new ATOM 0 HG12 VAL A 378 -3.732 -4.397 10.641 1.00 42.11 H new ATOM 0 HG13 VAL A 378 -5.119 -5.229 9.899 1.00 42.11 H new ATOM 0 HG21 VAL A 378 -3.850 -5.429 7.096 1.00 53.30 H new ATOM 0 HG22 VAL A 378 -5.529 -4.902 7.363 1.00 53.30 H new ATOM 0 HG23 VAL A 378 -4.404 -3.864 6.455 1.00 53.30 H new ATOM 589 N PRO A 379 -5.381 -1.844 11.152 1.00 3.12 N ATOM 590 CA PRO A 379 -5.089 -1.177 12.422 1.00 62.33 C ATOM 591 C PRO A 379 -3.808 -1.686 13.098 1.00 72.13 C ATOM 592 O PRO A 379 -3.036 -0.898 13.653 1.00 32.35 O ATOM 593 CB PRO A 379 -6.296 -1.488 13.304 1.00 50.12 C ATOM 594 CG PRO A 379 -7.367 -2.020 12.418 1.00 42.32 C ATOM 595 CD PRO A 379 -6.761 -2.348 11.093 1.00 62.33 C ATOM 0 HA PRO A 379 -4.922 -0.112 12.260 1.00 62.33 H new ATOM 0 HB2 PRO A 379 -6.034 -2.217 14.070 1.00 50.12 H new ATOM 0 HB3 PRO A 379 -6.636 -0.590 13.821 1.00 50.12 H new ATOM 0 HG2 PRO A 379 -7.818 -2.909 12.859 1.00 42.32 H new ATOM 0 HG3 PRO A 379 -8.162 -1.284 12.300 1.00 42.32 H new ATOM 0 HD2 PRO A 379 -6.778 -3.422 10.910 1.00 62.33 H new ATOM 0 HD3 PRO A 379 -7.316 -1.877 10.281 1.00 62.33 H new ATOM 603 N TYR A 380 -3.580 -2.995 13.027 1.00 60.10 N ATOM 604 CA TYR A 380 -2.421 -3.619 13.641 1.00 41.03 C ATOM 605 C TYR A 380 -1.125 -3.033 13.068 1.00 35.22 C ATOM 606 O TYR A 380 -0.170 -2.770 13.796 1.00 61.03 O ATOM 607 CB TYR A 380 -2.482 -5.135 13.408 1.00 22.31 C ATOM 608 CG TYR A 380 -1.430 -5.920 14.130 1.00 4.32 C ATOM 609 CD1 TYR A 380 -1.546 -6.148 15.488 1.00 23.34 C ATOM 610 CD2 TYR A 380 -0.333 -6.447 13.465 1.00 3.10 C ATOM 611 CE1 TYR A 380 -0.607 -6.868 16.170 1.00 71.14 C ATOM 612 CE2 TYR A 380 0.620 -7.176 14.141 1.00 14.24 C ATOM 613 CZ TYR A 380 0.475 -7.385 15.501 1.00 13.43 C ATOM 614 OH TYR A 380 1.418 -8.106 16.194 1.00 52.11 O ATOM 0 H TYR A 380 -4.195 -3.648 12.542 1.00 60.10 H new ATOM 0 HA TYR A 380 -2.429 -3.420 14.713 1.00 41.03 H new ATOM 0 HB2 TYR A 380 -3.463 -5.497 13.716 1.00 22.31 H new ATOM 0 HB3 TYR A 380 -2.392 -5.329 12.339 1.00 22.31 H new ATOM 0 HD1 TYR A 380 -2.396 -5.749 16.021 1.00 23.34 H new ATOM 0 HD2 TYR A 380 -0.225 -6.284 12.403 1.00 3.10 H new ATOM 0 HE1 TYR A 380 -0.715 -7.030 17.232 1.00 71.14 H new ATOM 0 HE2 TYR A 380 1.472 -7.580 13.615 1.00 14.24 H new ATOM 0 HH TYR A 380 1.823 -8.771 15.599 1.00 52.11 H new ATOM 624 N PHE A 381 -1.110 -2.816 11.769 1.00 10.30 N ATOM 625 CA PHE A 381 0.043 -2.265 11.101 1.00 3.12 C ATOM 626 C PHE A 381 0.185 -0.797 11.314 1.00 31.01 C ATOM 627 O PHE A 381 1.279 -0.274 11.262 1.00 1.53 O ATOM 628 CB PHE A 381 0.128 -2.663 9.663 1.00 71.22 C ATOM 629 CG PHE A 381 0.260 -4.126 9.525 1.00 31.43 C ATOM 630 CD1 PHE A 381 1.245 -4.800 10.215 1.00 73.44 C ATOM 631 CD2 PHE A 381 -0.585 -4.831 8.722 1.00 71.35 C ATOM 632 CE1 PHE A 381 1.376 -6.147 10.102 1.00 23.03 C ATOM 633 CE2 PHE A 381 -0.463 -6.177 8.600 1.00 31.44 C ATOM 634 CZ PHE A 381 0.527 -6.838 9.297 1.00 61.43 C ATOM 0 H PHE A 381 -1.896 -3.017 11.151 1.00 10.30 H new ATOM 0 HA PHE A 381 0.912 -2.717 11.579 1.00 3.12 H new ATOM 0 HB2 PHE A 381 -0.763 -2.324 9.135 1.00 71.22 H new ATOM 0 HB3 PHE A 381 0.982 -2.172 9.196 1.00 71.22 H new ATOM 0 HD1 PHE A 381 1.921 -4.250 10.853 1.00 73.44 H new ATOM 0 HD2 PHE A 381 -1.360 -4.313 8.177 1.00 71.35 H new ATOM 0 HE1 PHE A 381 2.150 -6.666 10.648 1.00 23.03 H new ATOM 0 HE2 PHE A 381 -1.137 -6.728 7.961 1.00 31.44 H new ATOM 0 HZ PHE A 381 0.628 -7.909 9.202 1.00 61.43 H new ATOM 644 N GLY A 382 -0.925 -0.120 11.537 1.00 61.10 N ATOM 645 CA GLY A 382 -0.870 1.294 11.868 1.00 70.24 C ATOM 646 C GLY A 382 -0.107 1.520 13.177 1.00 23.22 C ATOM 647 O GLY A 382 0.396 2.608 13.452 1.00 61.04 O ATOM 0 H GLY A 382 -1.864 -0.517 11.496 1.00 61.10 H new ATOM 0 HA2 GLY A 382 -0.385 1.842 11.060 1.00 70.24 H new ATOM 0 HA3 GLY A 382 -1.881 1.690 11.959 1.00 70.24 H new ATOM 651 N ASN A 383 -0.020 0.462 13.966 1.00 43.42 N ATOM 652 CA ASN A 383 0.711 0.466 15.210 1.00 24.42 C ATOM 653 C ASN A 383 2.176 0.111 14.954 1.00 54.45 C ATOM 654 O ASN A 383 3.028 0.260 15.823 1.00 41.31 O ATOM 655 CB ASN A 383 0.109 -0.560 16.175 1.00 14.13 C ATOM 656 CG ASN A 383 -1.351 -0.313 16.485 1.00 33.44 C ATOM 657 OD1 ASN A 383 -1.828 0.822 16.479 1.00 24.31 O ATOM 658 ND2 ASN A 383 -2.071 -1.366 16.753 1.00 2.14 N ATOM 0 H ASN A 383 -0.463 -0.432 13.753 1.00 43.42 H new ATOM 0 HA ASN A 383 0.647 1.461 15.650 1.00 24.42 H new ATOM 0 HB2 ASN A 383 0.218 -1.557 15.747 1.00 14.13 H new ATOM 0 HB3 ASN A 383 0.677 -0.549 17.105 1.00 14.13 H new ATOM 0 HD21 ASN A 383 -3.063 -1.264 16.967 1.00 2.14 H new ATOM 0 HD22 ASN A 383 -1.642 -2.292 16.749 1.00 2.14 H new ATOM 665 N ARG A 384 2.468 -0.368 13.756 1.00 43.44 N ATOM 666 CA ARG A 384 3.815 -0.758 13.405 1.00 1.40 C ATOM 667 C ARG A 384 4.319 0.001 12.187 1.00 53.24 C ATOM 668 O ARG A 384 4.348 -0.543 11.079 1.00 23.44 O ATOM 669 CB ARG A 384 3.941 -2.253 13.138 1.00 61.40 C ATOM 670 CG ARG A 384 3.616 -3.175 14.290 1.00 50.32 C ATOM 671 CD ARG A 384 3.927 -4.595 13.879 1.00 4.02 C ATOM 672 NE ARG A 384 3.692 -5.568 14.931 1.00 1.00 N ATOM 673 CZ ARG A 384 4.488 -6.624 15.172 1.00 4.45 C ATOM 674 NH1 ARG A 384 5.675 -6.736 14.550 1.00 14.52 N ATOM 675 NH2 ARG A 384 4.112 -7.544 16.041 1.00 4.04 N ATOM 0 H ARG A 384 1.784 -0.495 13.010 1.00 43.44 H new ATOM 0 HA ARG A 384 4.427 -0.507 14.271 1.00 1.40 H new ATOM 0 HB2 ARG A 384 3.287 -2.506 12.304 1.00 61.40 H new ATOM 0 HB3 ARG A 384 4.962 -2.457 12.816 1.00 61.40 H new ATOM 0 HG2 ARG A 384 4.199 -2.900 15.169 1.00 50.32 H new ATOM 0 HG3 ARG A 384 2.565 -3.083 14.563 1.00 50.32 H new ATOM 0 HD2 ARG A 384 3.319 -4.855 13.012 1.00 4.02 H new ATOM 0 HD3 ARG A 384 4.970 -4.654 13.567 1.00 4.02 H new ATOM 0 HE ARG A 384 2.872 -5.442 15.524 1.00 1.00 H new ATOM 0 HH11 ARG A 384 5.975 -6.017 13.891 1.00 14.52 H new ATOM 0 HH12 ARG A 384 6.275 -7.540 14.737 1.00 14.52 H new ATOM 0 HH21 ARG A 384 3.220 -7.452 16.527 1.00 4.04 H new ATOM 0 HH22 ARG A 384 4.714 -8.347 16.226 1.00 4.04 H new ATOM 689 N THR A 385 4.686 1.234 12.370 1.00 75.23 N ATOM 690 CA THR A 385 5.144 2.047 11.255 1.00 54.14 C ATOM 691 C THR A 385 6.605 2.494 11.403 1.00 55.00 C ATOM 692 O THR A 385 7.234 2.935 10.426 1.00 62.22 O ATOM 693 CB THR A 385 4.227 3.265 11.058 1.00 62.24 C ATOM 694 OG1 THR A 385 4.094 3.974 12.309 1.00 25.23 O ATOM 695 CG2 THR A 385 2.856 2.825 10.562 1.00 3.52 C ATOM 0 H THR A 385 4.682 1.709 13.273 1.00 75.23 H new ATOM 0 HA THR A 385 5.095 1.415 10.368 1.00 54.14 H new ATOM 0 HB THR A 385 4.669 3.924 10.311 1.00 62.24 H new ATOM 0 HG1 THR A 385 3.511 4.752 12.184 1.00 25.23 H new ATOM 0 HG21 THR A 385 2.220 3.700 10.428 1.00 3.52 H new ATOM 0 HG22 THR A 385 2.963 2.305 9.610 1.00 3.52 H new ATOM 0 HG23 THR A 385 2.403 2.155 11.292 1.00 3.52 H new ATOM 703 N SER A 386 7.142 2.384 12.609 1.00 43.50 N ATOM 704 CA SER A 386 8.515 2.757 12.872 1.00 21.23 C ATOM 705 C SER A 386 9.454 1.692 12.281 1.00 14.11 C ATOM 706 O SER A 386 8.994 0.605 11.894 1.00 12.21 O ATOM 707 CB SER A 386 8.729 2.932 14.386 1.00 23.42 C ATOM 708 OG SER A 386 10.036 3.375 14.681 1.00 31.21 O ATOM 0 H SER A 386 6.638 2.036 13.425 1.00 43.50 H new ATOM 0 HA SER A 386 8.742 3.711 12.396 1.00 21.23 H new ATOM 0 HB2 SER A 386 8.006 3.648 14.775 1.00 23.42 H new ATOM 0 HB3 SER A 386 8.543 1.984 14.892 1.00 23.42 H new ATOM 0 HG SER A 386 10.136 3.477 15.651 1.00 31.21 H new ATOM 714 N GLN A 387 10.750 1.985 12.235 1.00 75.12 N ATOM 715 CA GLN A 387 11.732 1.106 11.590 1.00 62.11 C ATOM 716 C GLN A 387 11.727 -0.300 12.170 1.00 72.10 C ATOM 717 O GLN A 387 11.548 -1.272 11.434 1.00 55.22 O ATOM 718 CB GLN A 387 13.138 1.694 11.687 1.00 63.14 C ATOM 719 CG GLN A 387 13.308 3.024 10.989 1.00 61.34 C ATOM 720 CD GLN A 387 14.699 3.591 11.158 1.00 4.10 C ATOM 721 OE1 GLN A 387 15.680 2.853 11.297 1.00 72.01 O ATOM 722 NE2 GLN A 387 14.801 4.887 11.133 1.00 43.42 N ATOM 0 H GLN A 387 11.152 2.831 12.639 1.00 75.12 H new ATOM 0 HA GLN A 387 11.438 1.035 10.543 1.00 62.11 H new ATOM 0 HB2 GLN A 387 13.397 1.814 12.739 1.00 63.14 H new ATOM 0 HB3 GLN A 387 13.846 0.982 11.264 1.00 63.14 H new ATOM 0 HG2 GLN A 387 13.094 2.904 9.927 1.00 61.34 H new ATOM 0 HG3 GLN A 387 12.580 3.733 11.382 1.00 61.34 H new ATOM 0 HE21 GLN A 387 13.967 5.462 11.016 1.00 43.42 H new ATOM 0 HE22 GLN A 387 15.715 5.329 11.230 1.00 43.42 H new ATOM 731 N GLU A 388 11.863 -0.411 13.478 1.00 24.05 N ATOM 732 CA GLU A 388 11.898 -1.726 14.101 1.00 62.53 C ATOM 733 C GLU A 388 10.513 -2.303 14.241 1.00 55.31 C ATOM 734 O GLU A 388 10.341 -3.515 14.290 1.00 52.02 O ATOM 735 CB GLU A 388 12.598 -1.694 15.438 1.00 75.23 C ATOM 736 CG GLU A 388 14.046 -1.284 15.349 1.00 34.12 C ATOM 737 CD GLU A 388 14.710 -1.303 16.685 1.00 15.42 C ATOM 738 OE1 GLU A 388 15.144 -2.379 17.117 1.00 41.51 O ATOM 739 OE2 GLU A 388 14.792 -0.243 17.340 1.00 55.31 O ATOM 0 H GLU A 388 11.950 0.375 14.122 1.00 24.05 H new ATOM 0 HA GLU A 388 12.473 -2.376 13.441 1.00 62.53 H new ATOM 0 HB2 GLU A 388 12.073 -1.003 16.098 1.00 75.23 H new ATOM 0 HB3 GLU A 388 12.536 -2.681 15.896 1.00 75.23 H new ATOM 0 HG2 GLU A 388 14.573 -1.956 14.672 1.00 34.12 H new ATOM 0 HG3 GLU A 388 14.115 -0.283 14.923 1.00 34.12 H new ATOM 746 N GLN A 389 9.532 -1.438 14.299 1.00 44.24 N ATOM 747 CA GLN A 389 8.150 -1.860 14.387 1.00 70.55 C ATOM 748 C GLN A 389 7.684 -2.551 13.120 1.00 34.04 C ATOM 749 O GLN A 389 6.943 -3.530 13.174 1.00 41.33 O ATOM 750 CB GLN A 389 7.234 -0.672 14.691 1.00 12.44 C ATOM 751 CG GLN A 389 7.359 -0.139 16.102 1.00 60.01 C ATOM 752 CD GLN A 389 6.872 -1.130 17.143 1.00 71.31 C ATOM 753 OE1 GLN A 389 7.375 -1.169 18.252 1.00 13.23 O ATOM 754 NE2 GLN A 389 5.862 -1.892 16.811 1.00 15.10 N ATOM 0 H GLN A 389 9.664 -0.427 14.287 1.00 44.24 H new ATOM 0 HA GLN A 389 8.093 -2.578 15.205 1.00 70.55 H new ATOM 0 HB2 GLN A 389 7.456 0.132 13.990 1.00 12.44 H new ATOM 0 HB3 GLN A 389 6.200 -0.971 14.517 1.00 12.44 H new ATOM 0 HG2 GLN A 389 8.401 0.110 16.302 1.00 60.01 H new ATOM 0 HG3 GLN A 389 6.788 0.785 16.190 1.00 60.01 H new ATOM 0 HE21 GLN A 389 5.465 -1.833 15.873 1.00 15.10 H new ATOM 0 HE22 GLN A 389 5.471 -2.545 17.490 1.00 15.10 H new ATOM 763 N SER A 390 8.124 -2.065 11.995 1.00 75.45 N ATOM 764 CA SER A 390 7.632 -2.568 10.753 1.00 1.23 C ATOM 765 C SER A 390 8.556 -3.595 10.086 1.00 51.40 C ATOM 766 O SER A 390 8.089 -4.432 9.312 1.00 4.12 O ATOM 767 CB SER A 390 7.345 -1.408 9.825 1.00 14.23 C ATOM 768 OG SER A 390 8.532 -0.674 9.553 1.00 15.22 O ATOM 0 H SER A 390 8.820 -1.324 11.916 1.00 75.45 H new ATOM 0 HA SER A 390 6.713 -3.113 10.969 1.00 1.23 H new ATOM 0 HB2 SER A 390 6.920 -1.779 8.893 1.00 14.23 H new ATOM 0 HB3 SER A 390 6.601 -0.751 10.276 1.00 14.23 H new ATOM 0 HG SER A 390 8.773 -0.140 10.338 1.00 15.22 H new ATOM 774 N ALA A 391 9.842 -3.549 10.417 1.00 40.12 N ATOM 775 CA ALA A 391 10.864 -4.389 9.775 1.00 41.12 C ATOM 776 C ALA A 391 10.500 -5.869 9.723 1.00 65.52 C ATOM 777 O ALA A 391 10.680 -6.515 8.698 1.00 54.15 O ATOM 778 CB ALA A 391 12.209 -4.203 10.448 1.00 52.21 C ATOM 0 H ALA A 391 10.212 -2.930 11.138 1.00 40.12 H new ATOM 0 HA ALA A 391 10.920 -4.051 8.740 1.00 41.12 H new ATOM 0 HB1 ALA A 391 12.951 -4.833 9.958 1.00 52.21 H new ATOM 0 HB2 ALA A 391 12.513 -3.159 10.372 1.00 52.21 H new ATOM 0 HB3 ALA A 391 12.132 -4.483 11.499 1.00 52.21 H new ATOM 784 N GLY A 392 9.983 -6.394 10.807 1.00 23.51 N ATOM 785 CA GLY A 392 9.644 -7.796 10.853 1.00 64.53 C ATOM 786 C GLY A 392 8.520 -8.177 9.933 1.00 14.35 C ATOM 787 O GLY A 392 8.625 -9.175 9.213 1.00 40.54 O ATOM 0 H GLY A 392 9.789 -5.876 11.664 1.00 23.51 H new ATOM 0 HA2 GLY A 392 10.526 -8.382 10.596 1.00 64.53 H new ATOM 0 HA3 GLY A 392 9.371 -8.061 11.874 1.00 64.53 H new ATOM 791 N TRP A 393 7.450 -7.393 9.910 1.00 50.13 N ATOM 792 CA TRP A 393 6.354 -7.750 9.048 1.00 21.23 C ATOM 793 C TRP A 393 6.695 -7.449 7.590 1.00 34.21 C ATOM 794 O TRP A 393 6.177 -8.096 6.675 1.00 43.34 O ATOM 795 CB TRP A 393 4.977 -7.209 9.506 1.00 4.41 C ATOM 796 CG TRP A 393 4.814 -5.736 9.513 1.00 4.02 C ATOM 797 CD1 TRP A 393 5.169 -4.882 10.491 1.00 50.03 C ATOM 798 CD2 TRP A 393 4.203 -4.956 8.497 1.00 61.23 C ATOM 799 NE1 TRP A 393 4.828 -3.593 10.136 1.00 11.34 N ATOM 800 CE2 TRP A 393 4.242 -3.614 8.913 1.00 14.12 C ATOM 801 CE3 TRP A 393 3.638 -5.268 7.274 1.00 23.41 C ATOM 802 CZ2 TRP A 393 3.731 -2.571 8.143 1.00 54.31 C ATOM 803 CZ3 TRP A 393 3.129 -4.240 6.500 1.00 25.01 C ATOM 804 CH2 TRP A 393 3.182 -2.906 6.937 1.00 73.45 C ATOM 0 H TRP A 393 7.327 -6.541 10.458 1.00 50.13 H new ATOM 0 HA TRP A 393 6.224 -8.829 9.130 1.00 21.23 H new ATOM 0 HB2 TRP A 393 4.211 -7.634 8.858 1.00 4.41 H new ATOM 0 HB3 TRP A 393 4.783 -7.578 10.513 1.00 4.41 H new ATOM 0 HD1 TRP A 393 5.649 -5.164 11.416 1.00 50.03 H new ATOM 0 HE1 TRP A 393 4.990 -2.760 10.701 1.00 11.34 H new ATOM 0 HE3 TRP A 393 3.595 -6.291 6.931 1.00 23.41 H new ATOM 0 HZ2 TRP A 393 3.767 -1.547 8.483 1.00 54.31 H new ATOM 0 HZ3 TRP A 393 2.683 -4.467 5.543 1.00 25.01 H new ATOM 0 HH2 TRP A 393 2.780 -2.127 6.306 1.00 73.45 H new ATOM 815 N LYS A 394 7.599 -6.477 7.376 1.00 43.31 N ATOM 816 CA LYS A 394 8.148 -6.253 6.056 1.00 44.21 C ATOM 817 C LYS A 394 8.930 -7.465 5.614 1.00 33.31 C ATOM 818 O LYS A 394 8.816 -7.890 4.473 1.00 22.10 O ATOM 819 CB LYS A 394 9.024 -5.014 6.017 1.00 73.25 C ATOM 820 CG LYS A 394 8.240 -3.767 6.229 1.00 41.44 C ATOM 821 CD LYS A 394 9.095 -2.531 6.191 1.00 34.12 C ATOM 822 CE LYS A 394 8.219 -1.340 6.401 1.00 5.33 C ATOM 823 NZ LYS A 394 8.943 -0.065 6.340 1.00 32.31 N ATOM 0 H LYS A 394 7.952 -5.849 8.098 1.00 43.31 H new ATOM 0 HA LYS A 394 7.318 -6.089 5.368 1.00 44.21 H new ATOM 0 HB2 LYS A 394 9.795 -5.092 6.783 1.00 73.25 H new ATOM 0 HB3 LYS A 394 9.535 -4.962 5.055 1.00 73.25 H new ATOM 0 HG2 LYS A 394 7.468 -3.693 5.463 1.00 41.44 H new ATOM 0 HG3 LYS A 394 7.731 -3.822 7.191 1.00 41.44 H new ATOM 0 HD2 LYS A 394 9.862 -2.578 6.964 1.00 34.12 H new ATOM 0 HD3 LYS A 394 9.611 -2.457 5.234 1.00 34.12 H new ATOM 0 HE2 LYS A 394 7.433 -1.339 5.646 1.00 5.33 H new ATOM 0 HE3 LYS A 394 7.729 -1.425 7.371 1.00 5.33 H new ATOM 0 HZ1 LYS A 394 8.278 0.720 6.493 1.00 32.31 H new ATOM 0 HZ2 LYS A 394 9.676 -0.047 7.077 1.00 32.31 H new ATOM 0 HZ3 LYS A 394 9.389 0.037 5.406 1.00 32.31 H new ATOM 837 N ASN A 395 9.706 -8.053 6.540 1.00 40.00 N ATOM 838 CA ASN A 395 10.455 -9.277 6.227 1.00 50.45 C ATOM 839 C ASN A 395 9.523 -10.407 5.865 1.00 32.12 C ATOM 840 O ASN A 395 9.849 -11.228 5.036 1.00 65.12 O ATOM 841 CB ASN A 395 11.404 -9.724 7.361 1.00 10.33 C ATOM 842 CG ASN A 395 12.698 -8.921 7.470 1.00 12.34 C ATOM 843 OD1 ASN A 395 12.761 -7.731 7.145 1.00 61.42 O ATOM 844 ND2 ASN A 395 13.743 -9.577 7.923 1.00 61.35 N ATOM 0 H ASN A 395 9.829 -7.708 7.492 1.00 40.00 H new ATOM 0 HA ASN A 395 11.078 -9.028 5.368 1.00 50.45 H new ATOM 0 HB2 ASN A 395 10.871 -9.657 8.309 1.00 10.33 H new ATOM 0 HB3 ASN A 395 11.656 -10.774 7.211 1.00 10.33 H new ATOM 0 HD21 ASN A 395 14.642 -9.103 8.015 1.00 61.35 H new ATOM 0 HD22 ASN A 395 13.655 -10.560 8.182 1.00 61.35 H new ATOM 851 N SER A 396 8.355 -10.427 6.470 1.00 41.53 N ATOM 852 CA SER A 396 7.362 -11.447 6.186 1.00 5.32 C ATOM 853 C SER A 396 6.833 -11.299 4.750 1.00 33.24 C ATOM 854 O SER A 396 6.761 -12.280 3.992 1.00 60.34 O ATOM 855 CB SER A 396 6.238 -11.333 7.189 1.00 71.44 C ATOM 856 OG SER A 396 6.745 -11.384 8.518 1.00 44.53 O ATOM 0 H SER A 396 8.066 -9.743 7.169 1.00 41.53 H new ATOM 0 HA SER A 396 7.818 -12.434 6.270 1.00 5.32 H new ATOM 0 HB2 SER A 396 5.700 -10.398 7.035 1.00 71.44 H new ATOM 0 HB3 SER A 396 5.523 -12.141 7.036 1.00 71.44 H new ATOM 0 HG SER A 396 7.315 -10.604 8.681 1.00 44.53 H new ATOM 862 N ILE A 397 6.480 -10.071 4.380 1.00 43.44 N ATOM 863 CA ILE A 397 6.031 -9.762 3.025 1.00 73.03 C ATOM 864 C ILE A 397 7.160 -10.062 2.027 1.00 21.54 C ATOM 865 O ILE A 397 6.949 -10.747 1.031 1.00 52.40 O ATOM 866 CB ILE A 397 5.558 -8.266 2.921 1.00 63.15 C ATOM 867 CG1 ILE A 397 4.280 -8.057 3.748 1.00 33.30 C ATOM 868 CG2 ILE A 397 5.327 -7.838 1.473 1.00 54.35 C ATOM 869 CD1 ILE A 397 3.824 -6.625 3.857 1.00 24.10 C ATOM 0 H ILE A 397 6.497 -9.266 5.006 1.00 43.44 H new ATOM 0 HA ILE A 397 5.175 -10.391 2.780 1.00 73.03 H new ATOM 0 HB ILE A 397 6.355 -7.641 3.323 1.00 63.15 H new ATOM 0 HG12 ILE A 397 3.477 -8.646 3.305 1.00 33.30 H new ATOM 0 HG13 ILE A 397 4.446 -8.448 4.752 1.00 33.30 H new ATOM 0 HG21 ILE A 397 5.001 -6.798 1.449 1.00 54.35 H new ATOM 0 HG22 ILE A 397 6.255 -7.941 0.911 1.00 54.35 H new ATOM 0 HG23 ILE A 397 4.559 -8.469 1.025 1.00 54.35 H new ATOM 0 HD11 ILE A 397 2.916 -6.577 4.458 1.00 24.10 H new ATOM 0 HD12 ILE A 397 4.605 -6.030 4.330 1.00 24.10 H new ATOM 0 HD13 ILE A 397 3.621 -6.231 2.861 1.00 24.10 H new ATOM 881 N ARG A 398 8.359 -9.593 2.344 1.00 24.21 N ATOM 882 CA ARG A 398 9.547 -9.825 1.520 1.00 51.22 C ATOM 883 C ARG A 398 9.879 -11.302 1.387 1.00 10.31 C ATOM 884 O ARG A 398 10.325 -11.745 0.329 1.00 1.21 O ATOM 885 CB ARG A 398 10.736 -9.058 2.072 1.00 74.41 C ATOM 886 CG ARG A 398 10.621 -7.566 1.903 1.00 14.41 C ATOM 887 CD ARG A 398 10.716 -7.164 0.443 1.00 32.20 C ATOM 888 NE ARG A 398 12.016 -7.550 -0.131 1.00 23.15 N ATOM 889 CZ ARG A 398 12.407 -7.346 -1.394 1.00 71.42 C ATOM 890 NH1 ARG A 398 11.572 -6.840 -2.286 1.00 20.54 N ATOM 891 NH2 ARG A 398 13.636 -7.675 -1.761 1.00 64.23 N ATOM 0 H ARG A 398 8.540 -9.039 3.181 1.00 24.21 H new ATOM 0 HA ARG A 398 9.320 -9.457 0.519 1.00 51.22 H new ATOM 0 HB2 ARG A 398 10.846 -9.288 3.132 1.00 74.41 H new ATOM 0 HB3 ARG A 398 11.643 -9.403 1.575 1.00 74.41 H new ATOM 0 HG2 ARG A 398 9.671 -7.224 2.315 1.00 14.41 H new ATOM 0 HG3 ARG A 398 11.410 -7.072 2.470 1.00 14.41 H new ATOM 0 HD2 ARG A 398 9.912 -7.637 -0.120 1.00 32.20 H new ATOM 0 HD3 ARG A 398 10.580 -6.087 0.350 1.00 32.20 H new ATOM 0 HE ARG A 398 12.678 -8.015 0.490 1.00 23.15 H new ATOM 0 HH11 ARG A 398 10.619 -6.601 -2.014 1.00 20.54 H new ATOM 0 HH12 ARG A 398 11.881 -6.689 -3.246 1.00 20.54 H new ATOM 0 HH21 ARG A 398 14.279 -8.082 -1.082 1.00 64.23 H new ATOM 0 HH22 ARG A 398 13.939 -7.522 -2.723 1.00 64.23 H new ATOM 905 N HIS A 399 9.664 -12.056 2.450 1.00 33.34 N ATOM 906 CA HIS A 399 9.896 -13.496 2.438 1.00 75.42 C ATOM 907 C HIS A 399 9.002 -14.146 1.395 1.00 0.21 C ATOM 908 O HIS A 399 9.461 -14.909 0.573 1.00 71.24 O ATOM 909 CB HIS A 399 9.637 -14.101 3.836 1.00 44.10 C ATOM 910 CG HIS A 399 9.910 -15.573 3.947 1.00 12.40 C ATOM 911 ND1 HIS A 399 8.967 -16.490 4.365 1.00 71.55 N ATOM 912 CD2 HIS A 399 11.043 -16.280 3.732 1.00 24.11 C ATOM 913 CE1 HIS A 399 9.517 -17.688 4.402 1.00 43.02 C ATOM 914 NE2 HIS A 399 10.768 -17.586 4.021 1.00 51.34 N ATOM 0 H HIS A 399 9.326 -11.694 3.342 1.00 33.34 H new ATOM 0 HA HIS A 399 10.938 -13.687 2.180 1.00 75.42 H new ATOM 0 HB2 HIS A 399 10.255 -13.575 4.564 1.00 44.10 H new ATOM 0 HB3 HIS A 399 8.598 -13.917 4.109 1.00 44.10 H new ATOM 0 HD2 HIS A 399 11.990 -15.885 3.394 1.00 24.11 H new ATOM 0 HE1 HIS A 399 9.020 -18.601 4.697 1.00 43.02 H new ATOM 0 HE2 HIS A 399 11.430 -18.359 3.952 1.00 51.34 H new ATOM 923 N ASN A 400 7.740 -13.807 1.425 1.00 72.32 N ATOM 924 CA ASN A 400 6.776 -14.340 0.477 1.00 35.25 C ATOM 925 C ASN A 400 6.990 -13.820 -0.936 1.00 44.42 C ATOM 926 O ASN A 400 6.832 -14.573 -1.912 1.00 52.10 O ATOM 927 CB ASN A 400 5.375 -14.096 0.990 1.00 50.51 C ATOM 928 CG ASN A 400 5.123 -14.937 2.215 1.00 10.44 C ATOM 929 OD1 ASN A 400 5.623 -16.054 2.320 1.00 51.25 O ATOM 930 ND2 ASN A 400 4.441 -14.407 3.167 1.00 55.01 N ATOM 0 H ASN A 400 7.344 -13.156 2.103 1.00 72.32 H new ATOM 0 HA ASN A 400 6.928 -15.417 0.400 1.00 35.25 H new ATOM 0 HB2 ASN A 400 5.245 -13.041 1.230 1.00 50.51 H new ATOM 0 HB3 ASN A 400 4.647 -14.339 0.216 1.00 50.51 H new ATOM 0 HD21 ASN A 400 4.303 -14.916 4.040 1.00 55.01 H new ATOM 0 HD22 ASN A 400 4.038 -13.477 3.049 1.00 55.01 H new ATOM 937 N LEU A 401 7.376 -12.551 -1.052 1.00 1.04 N ATOM 938 CA LEU A 401 7.710 -11.953 -2.353 1.00 62.33 C ATOM 939 C LEU A 401 8.897 -12.655 -3.006 1.00 12.54 C ATOM 940 O LEU A 401 9.004 -12.697 -4.227 1.00 52.44 O ATOM 941 CB LEU A 401 7.999 -10.446 -2.223 1.00 51.21 C ATOM 942 CG LEU A 401 6.814 -9.560 -1.831 1.00 41.24 C ATOM 943 CD1 LEU A 401 7.249 -8.116 -1.660 1.00 34.22 C ATOM 944 CD2 LEU A 401 5.737 -9.644 -2.882 1.00 71.41 C ATOM 0 H LEU A 401 7.467 -11.912 -0.262 1.00 1.04 H new ATOM 0 HA LEU A 401 6.837 -12.085 -2.993 1.00 62.33 H new ATOM 0 HB2 LEU A 401 8.787 -10.311 -1.482 1.00 51.21 H new ATOM 0 HB3 LEU A 401 8.393 -10.090 -3.175 1.00 51.21 H new ATOM 0 HG LEU A 401 6.422 -9.919 -0.879 1.00 41.24 H new ATOM 0 HD11 LEU A 401 6.389 -7.507 -1.382 1.00 34.22 H new ATOM 0 HD12 LEU A 401 8.006 -8.054 -0.878 1.00 34.22 H new ATOM 0 HD13 LEU A 401 7.666 -7.748 -2.598 1.00 34.22 H new ATOM 0 HD21 LEU A 401 4.898 -9.010 -2.595 1.00 71.41 H new ATOM 0 HD22 LEU A 401 6.135 -9.307 -3.839 1.00 71.41 H new ATOM 0 HD23 LEU A 401 5.398 -10.676 -2.974 1.00 71.41 H new ATOM 1257 N TRP A 421 7.330 -3.422 -7.769 1.00 62.15 N ATOM 1258 CA TRP A 421 7.077 -4.705 -8.339 1.00 35.45 C ATOM 1259 C TRP A 421 5.590 -4.827 -8.679 1.00 42.03 C ATOM 1260 O TRP A 421 4.776 -4.004 -8.235 1.00 15.22 O ATOM 1261 CB TRP A 421 7.553 -5.835 -7.360 1.00 51.04 C ATOM 1262 CG TRP A 421 6.770 -5.949 -6.116 1.00 2.01 C ATOM 1263 CD1 TRP A 421 7.030 -5.367 -4.921 1.00 52.45 C ATOM 1264 CD2 TRP A 421 5.592 -6.715 -5.949 1.00 32.41 C ATOM 1265 NE1 TRP A 421 6.073 -5.730 -4.024 1.00 10.22 N ATOM 1266 CE2 TRP A 421 5.173 -6.553 -4.644 1.00 3.02 C ATOM 1267 CE3 TRP A 421 4.851 -7.518 -6.798 1.00 70.44 C ATOM 1268 CZ2 TRP A 421 4.031 -7.168 -4.157 1.00 1.12 C ATOM 1269 CZ3 TRP A 421 3.731 -8.121 -6.327 1.00 61.40 C ATOM 1270 CH2 TRP A 421 3.325 -7.945 -5.019 1.00 43.41 C ATOM 0 HA TRP A 421 7.643 -4.820 -9.263 1.00 35.45 H new ATOM 0 HB2 TRP A 421 7.515 -6.790 -7.885 1.00 51.04 H new ATOM 0 HB3 TRP A 421 8.596 -5.655 -7.100 1.00 51.04 H new ATOM 0 HD1 TRP A 421 7.866 -4.716 -4.712 1.00 52.45 H new ATOM 0 HE1 TRP A 421 6.033 -5.436 -3.048 1.00 10.22 H new ATOM 0 HE3 TRP A 421 5.160 -7.663 -7.823 1.00 70.44 H new ATOM 0 HZ2 TRP A 421 3.715 -7.035 -3.133 1.00 1.12 H new ATOM 0 HZ3 TRP A 421 3.148 -8.748 -6.985 1.00 61.40 H new ATOM 0 HH2 TRP A 421 2.427 -8.436 -4.674 1.00 43.41 H new ATOM 1281 N VAL A 422 5.249 -5.828 -9.464 1.00 35.14 N ATOM 1282 CA VAL A 422 3.878 -6.090 -9.880 1.00 61.51 C ATOM 1283 C VAL A 422 3.609 -7.585 -9.881 1.00 14.50 C ATOM 1284 O VAL A 422 4.542 -8.397 -9.887 1.00 23.44 O ATOM 1285 CB VAL A 422 3.528 -5.505 -11.285 1.00 53.41 C ATOM 1286 CG1 VAL A 422 3.599 -3.997 -11.281 1.00 70.24 C ATOM 1287 CG2 VAL A 422 4.437 -6.070 -12.361 1.00 21.02 C ATOM 0 H VAL A 422 5.923 -6.495 -9.839 1.00 35.14 H new ATOM 0 HA VAL A 422 3.241 -5.583 -9.155 1.00 61.51 H new ATOM 0 HB VAL A 422 2.504 -5.802 -11.513 1.00 53.41 H new ATOM 0 HG11 VAL A 422 3.350 -3.618 -12.272 1.00 70.24 H new ATOM 0 HG12 VAL A 422 2.890 -3.601 -10.553 1.00 70.24 H new ATOM 0 HG13 VAL A 422 4.607 -3.681 -11.014 1.00 70.24 H new ATOM 0 HG21 VAL A 422 4.167 -5.643 -13.327 1.00 21.02 H new ATOM 0 HG22 VAL A 422 5.473 -5.820 -12.130 1.00 21.02 H new ATOM 0 HG23 VAL A 422 4.325 -7.154 -12.400 1.00 21.02 H new ATOM 1297 N ILE A 423 2.364 -7.956 -9.851 1.00 43.31 N ATOM 1298 CA ILE A 423 2.027 -9.348 -9.904 1.00 73.12 C ATOM 1299 C ILE A 423 2.050 -9.776 -11.353 1.00 62.03 C ATOM 1300 O ILE A 423 1.570 -9.042 -12.238 1.00 20.44 O ATOM 1301 CB ILE A 423 0.632 -9.642 -9.264 1.00 11.21 C ATOM 1302 CG1 ILE A 423 0.646 -9.241 -7.783 1.00 15.12 C ATOM 1303 CG2 ILE A 423 0.249 -11.122 -9.415 1.00 53.43 C ATOM 1304 CD1 ILE A 423 -0.667 -9.446 -7.061 1.00 12.30 C ATOM 0 H ILE A 423 1.569 -7.320 -9.791 1.00 43.31 H new ATOM 0 HA ILE A 423 2.755 -9.915 -9.323 1.00 73.12 H new ATOM 0 HB ILE A 423 -0.118 -9.051 -9.790 1.00 11.21 H new ATOM 0 HG12 ILE A 423 1.419 -9.815 -7.272 1.00 15.12 H new ATOM 0 HG13 ILE A 423 0.926 -8.190 -7.708 1.00 15.12 H new ATOM 0 HG21 ILE A 423 -0.726 -11.294 -8.960 1.00 53.43 H new ATOM 0 HG22 ILE A 423 0.206 -11.381 -10.473 1.00 53.43 H new ATOM 0 HG23 ILE A 423 0.995 -11.743 -8.920 1.00 53.43 H new ATOM 0 HD11 ILE A 423 -0.563 -9.136 -6.021 1.00 12.30 H new ATOM 0 HD12 ILE A 423 -1.443 -8.850 -7.541 1.00 12.30 H new ATOM 0 HD13 ILE A 423 -0.943 -10.500 -7.099 1.00 12.30 H new