USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=13 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 -77:sc= 0.526 USER MOD Set 1.2: A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 342 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 348 SER OG : rot 180:sc= 0 USER MOD Single : A 349 TYR OH : rot 30:sc= -0.519 USER MOD Single : A 350 SER OG : rot 180:sc= 0.00516 USER MOD Single : A 355 LYS NZ :NH3+ -118:sc= -0.03 (180deg=-0.125) USER MOD Single : A 358 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 359 SER OG : rot 180:sc= 0 USER MOD Single : A 360 THR OG1 : rot 180:sc= 0 USER MOD Single : A 365 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 368 ASN : amide:sc= -0.0568 K(o=-0.057,f=-3.8!) USER MOD Single : A 371 TYR OH : rot 180:sc= 0 USER MOD Single : A 372 ASN : amide:sc= -0.69 X(o=-0.69,f=-0.64) USER MOD Single : A 376 SER OG : rot 77:sc= 1.25 USER MOD Single : A 377 ASN : amide:sc= 0.946 K(o=0.95,f=0) USER MOD Single : A 380 TYR OH : rot 180:sc= 0 USER MOD Single : A 383 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 385 THR OG1 : rot -93:sc= 0.823 USER MOD Single : A 386 SER OG : rot 180:sc= 0 USER MOD Single : A 387 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 389 GLN : amide:sc= -1.64! K(o=-1.6!,f=0) USER MOD Single : A 395 ASN : amide:sc= 0 K(o=0,f=0.81) USER MOD Single : A 396 SER OG : rot 71:sc= 0.13 USER MOD Single : A 399 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 400 ASN : amide:sc= 0.22 X(o=0.22,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 342 -1.546 -15.094 11.121 1.00 51.21 N ATOM 2 CA ASN A 342 -1.129 -13.897 10.390 1.00 0.01 C ATOM 3 C ASN A 342 -1.284 -12.708 11.297 1.00 24.04 C ATOM 4 O ASN A 342 -2.222 -12.662 12.078 1.00 51.24 O ATOM 5 CB ASN A 342 -1.969 -13.682 9.125 1.00 11.24 C ATOM 6 CG ASN A 342 -1.919 -14.843 8.164 1.00 54.14 C ATOM 7 OD1 ASN A 342 -1.050 -14.915 7.298 1.00 33.41 O ATOM 8 ND2 ASN A 342 -2.860 -15.747 8.291 1.00 11.30 N ATOM 0 HA ASN A 342 -0.091 -14.022 10.082 1.00 0.01 H new ATOM 0 HB2 ASN A 342 -3.005 -13.503 9.413 1.00 11.24 H new ATOM 0 HB3 ASN A 342 -1.620 -12.784 8.615 1.00 11.24 H new ATOM 0 HD21 ASN A 342 -2.888 -16.546 7.658 1.00 11.30 H new ATOM 0 HD22 ASN A 342 -3.564 -15.651 9.023 1.00 11.30 H new ATOM 17 N PRO A 343 -0.379 -11.716 11.214 1.00 74.15 N ATOM 18 CA PRO A 343 -0.412 -10.536 12.103 1.00 12.54 C ATOM 19 C PRO A 343 -1.674 -9.659 11.921 1.00 64.43 C ATOM 20 O PRO A 343 -2.147 -9.039 12.862 1.00 71.25 O ATOM 21 CB PRO A 343 0.857 -9.760 11.704 1.00 21.34 C ATOM 22 CG PRO A 343 1.165 -10.220 10.320 1.00 15.11 C ATOM 23 CD PRO A 343 0.760 -11.662 10.269 1.00 54.12 C ATOM 0 HA PRO A 343 -0.445 -10.828 13.153 1.00 12.54 H new ATOM 0 HB2 PRO A 343 0.689 -8.684 11.735 1.00 21.34 H new ATOM 0 HB3 PRO A 343 1.681 -9.973 12.384 1.00 21.34 H new ATOM 0 HG2 PRO A 343 0.617 -9.634 9.582 1.00 15.11 H new ATOM 0 HG3 PRO A 343 2.225 -10.104 10.096 1.00 15.11 H new ATOM 0 HD2 PRO A 343 0.466 -11.964 9.264 1.00 54.12 H new ATOM 0 HD3 PRO A 343 1.572 -12.321 10.576 1.00 54.12 H new ATOM 31 N TRP A 344 -2.207 -9.628 10.719 1.00 51.33 N ATOM 32 CA TRP A 344 -3.387 -8.815 10.410 1.00 40.52 C ATOM 33 C TRP A 344 -4.701 -9.535 10.726 1.00 43.42 C ATOM 34 O TRP A 344 -5.667 -8.901 11.159 1.00 54.54 O ATOM 35 CB TRP A 344 -3.356 -8.394 8.933 1.00 42.10 C ATOM 36 CG TRP A 344 -3.086 -9.531 7.979 1.00 73.42 C ATOM 37 CD1 TRP A 344 -3.937 -10.536 7.619 1.00 3.10 C ATOM 38 CD2 TRP A 344 -1.886 -9.757 7.238 1.00 45.22 C ATOM 39 NE1 TRP A 344 -3.319 -11.378 6.759 1.00 2.41 N ATOM 40 CE2 TRP A 344 -2.076 -10.920 6.496 1.00 21.53 C ATOM 41 CE3 TRP A 344 -0.670 -9.098 7.133 1.00 54.53 C ATOM 42 CZ2 TRP A 344 -1.108 -11.429 5.674 1.00 71.12 C ATOM 43 CZ3 TRP A 344 0.286 -9.611 6.307 1.00 3.11 C ATOM 44 CH2 TRP A 344 0.057 -10.762 5.589 1.00 30.30 C ATOM 0 H TRP A 344 -1.846 -10.158 9.926 1.00 51.33 H new ATOM 0 HA TRP A 344 -3.348 -7.933 11.049 1.00 40.52 H new ATOM 0 HB2 TRP A 344 -4.311 -7.936 8.676 1.00 42.10 H new ATOM 0 HB3 TRP A 344 -2.590 -7.630 8.799 1.00 42.10 H new ATOM 0 HD1 TRP A 344 -4.953 -10.643 7.969 1.00 3.10 H new ATOM 0 HE1 TRP A 344 -3.728 -12.227 6.370 1.00 2.41 H new ATOM 0 HE3 TRP A 344 -0.484 -8.195 7.695 1.00 54.53 H new ATOM 0 HZ2 TRP A 344 -1.274 -12.336 5.112 1.00 71.12 H new ATOM 0 HZ3 TRP A 344 1.237 -9.107 6.215 1.00 3.11 H new ATOM 0 HH2 TRP A 344 0.833 -11.140 4.940 1.00 30.30 H new ATOM 55 N GLY A 345 -4.725 -10.845 10.531 1.00 2.02 N ATOM 56 CA GLY A 345 -5.941 -11.590 10.698 1.00 51.44 C ATOM 57 C GLY A 345 -5.878 -12.970 10.061 1.00 53.10 C ATOM 58 O GLY A 345 -4.943 -13.732 10.319 1.00 0.25 O ATOM 0 H GLY A 345 -3.915 -11.402 10.259 1.00 2.02 H new ATOM 0 HA2 GLY A 345 -6.154 -11.695 11.762 1.00 51.44 H new ATOM 0 HA3 GLY A 345 -6.768 -11.030 10.261 1.00 51.44 H new ATOM 62 N ALA A 346 -6.845 -13.274 9.206 1.00 23.54 N ATOM 63 CA ALA A 346 -6.983 -14.615 8.646 1.00 60.43 C ATOM 64 C ALA A 346 -6.463 -14.761 7.214 1.00 34.03 C ATOM 65 O ALA A 346 -5.965 -15.842 6.851 1.00 11.45 O ATOM 66 CB ALA A 346 -8.419 -15.071 8.722 1.00 1.20 C ATOM 0 H ALA A 346 -7.548 -12.609 8.883 1.00 23.54 H new ATOM 0 HA ALA A 346 -6.349 -15.253 9.261 1.00 60.43 H new ATOM 0 HB1 ALA A 346 -8.506 -16.073 8.301 1.00 1.20 H new ATOM 0 HB2 ALA A 346 -8.741 -15.086 9.763 1.00 1.20 H new ATOM 0 HB3 ALA A 346 -9.049 -14.384 8.157 1.00 1.20 H new ATOM 72 N GLU A 347 -6.578 -13.707 6.394 1.00 61.12 N ATOM 73 CA GLU A 347 -6.118 -13.792 4.998 1.00 2.13 C ATOM 74 C GLU A 347 -4.622 -14.004 4.913 1.00 13.22 C ATOM 75 O GLU A 347 -3.909 -13.829 5.888 1.00 14.52 O ATOM 76 CB GLU A 347 -6.552 -12.596 4.133 1.00 54.23 C ATOM 77 CG GLU A 347 -8.055 -12.480 3.945 1.00 32.11 C ATOM 78 CD GLU A 347 -8.435 -11.464 2.887 1.00 34.54 C ATOM 79 OE1 GLU A 347 -8.513 -11.843 1.686 1.00 43.25 O ATOM 80 OE2 GLU A 347 -8.667 -10.283 3.221 1.00 64.23 O ATOM 0 H GLU A 347 -6.975 -12.806 6.662 1.00 61.12 H new ATOM 0 HA GLU A 347 -6.615 -14.668 4.582 1.00 2.13 H new ATOM 0 HB2 GLU A 347 -6.182 -11.678 4.589 1.00 54.23 H new ATOM 0 HB3 GLU A 347 -6.079 -12.679 3.154 1.00 54.23 H new ATOM 0 HG2 GLU A 347 -8.459 -13.454 3.669 1.00 32.11 H new ATOM 0 HG3 GLU A 347 -8.515 -12.201 4.893 1.00 32.11 H new ATOM 87 N SER A 348 -4.158 -14.370 3.766 1.00 1.34 N ATOM 88 CA SER A 348 -2.775 -14.676 3.580 1.00 33.43 C ATOM 89 C SER A 348 -2.040 -13.452 3.073 1.00 75.51 C ATOM 90 O SER A 348 -2.680 -12.476 2.642 1.00 63.31 O ATOM 91 CB SER A 348 -2.656 -15.831 2.593 1.00 3.31 C ATOM 92 OG SER A 348 -3.373 -16.978 3.063 1.00 25.25 O ATOM 0 H SER A 348 -4.728 -14.467 2.926 1.00 1.34 H new ATOM 0 HA SER A 348 -2.325 -14.970 4.528 1.00 33.43 H new ATOM 0 HB2 SER A 348 -3.045 -15.526 1.621 1.00 3.31 H new ATOM 0 HB3 SER A 348 -1.606 -16.086 2.450 1.00 3.31 H new ATOM 0 HG SER A 348 -3.285 -17.707 2.414 1.00 25.25 H new ATOM 98 N TYR A 349 -0.709 -13.493 3.136 1.00 71.05 N ATOM 99 CA TYR A 349 0.129 -12.403 2.651 1.00 32.12 C ATOM 100 C TYR A 349 -0.197 -12.098 1.233 1.00 21.12 C ATOM 101 O TYR A 349 -0.684 -11.026 0.936 1.00 61.15 O ATOM 102 CB TYR A 349 1.627 -12.735 2.771 1.00 70.55 C ATOM 103 CG TYR A 349 2.147 -12.833 4.177 1.00 70.13 C ATOM 104 CD1 TYR A 349 1.851 -13.918 4.977 1.00 30.24 C ATOM 105 CD2 TYR A 349 2.927 -11.823 4.703 1.00 70.53 C ATOM 106 CE1 TYR A 349 2.318 -14.002 6.267 1.00 24.42 C ATOM 107 CE2 TYR A 349 3.400 -11.893 5.998 1.00 13.10 C ATOM 108 CZ TYR A 349 3.090 -12.988 6.774 1.00 11.33 C ATOM 109 OH TYR A 349 3.559 -13.071 8.070 1.00 12.34 O ATOM 0 H TYR A 349 -0.186 -14.279 3.523 1.00 71.05 H new ATOM 0 HA TYR A 349 -0.077 -11.533 3.274 1.00 32.12 H new ATOM 0 HB2 TYR A 349 1.815 -13.681 2.264 1.00 70.55 H new ATOM 0 HB3 TYR A 349 2.196 -11.971 2.242 1.00 70.55 H new ATOM 0 HD1 TYR A 349 1.241 -14.716 4.582 1.00 30.24 H new ATOM 0 HD2 TYR A 349 3.171 -10.966 4.093 1.00 70.53 H new ATOM 0 HE1 TYR A 349 2.079 -14.860 6.877 1.00 24.42 H new ATOM 0 HE2 TYR A 349 4.008 -11.096 6.399 1.00 13.10 H new ATOM 0 HH TYR A 349 3.686 -14.012 8.312 1.00 12.34 H new ATOM 119 N SER A 350 0.035 -13.065 0.371 1.00 3.31 N ATOM 120 CA SER A 350 -0.205 -12.918 -1.057 1.00 71.11 C ATOM 121 C SER A 350 -1.647 -12.429 -1.353 1.00 30.31 C ATOM 122 O SER A 350 -1.866 -11.686 -2.311 1.00 64.03 O ATOM 123 CB SER A 350 0.070 -14.235 -1.747 1.00 64.32 C ATOM 124 OG SER A 350 1.356 -14.735 -1.380 1.00 4.03 O ATOM 0 H SER A 350 0.397 -13.981 0.638 1.00 3.31 H new ATOM 0 HA SER A 350 0.471 -12.156 -1.444 1.00 71.11 H new ATOM 0 HB2 SER A 350 -0.698 -14.960 -1.478 1.00 64.32 H new ATOM 0 HB3 SER A 350 0.020 -14.103 -2.828 1.00 64.32 H new ATOM 0 HG SER A 350 1.517 -15.588 -1.834 1.00 4.03 H new ATOM 130 N ASP A 351 -2.610 -12.829 -0.506 1.00 53.42 N ATOM 131 CA ASP A 351 -3.998 -12.344 -0.625 1.00 53.04 C ATOM 132 C ASP A 351 -4.083 -10.853 -0.442 1.00 11.40 C ATOM 133 O ASP A 351 -4.640 -10.141 -1.285 1.00 35.02 O ATOM 134 CB ASP A 351 -4.926 -13.017 0.389 1.00 75.45 C ATOM 135 CG ASP A 351 -5.420 -14.351 -0.043 1.00 4.31 C ATOM 136 OD1 ASP A 351 -4.786 -15.357 0.267 1.00 31.00 O ATOM 137 OD2 ASP A 351 -6.501 -14.415 -0.667 1.00 55.31 O ATOM 0 H ASP A 351 -2.457 -13.481 0.263 1.00 53.42 H new ATOM 0 HA ASP A 351 -4.322 -12.603 -1.633 1.00 53.04 H new ATOM 0 HB2 ASP A 351 -4.397 -13.125 1.336 1.00 75.45 H new ATOM 0 HB3 ASP A 351 -5.780 -12.366 0.574 1.00 75.45 H new ATOM 142 N LEU A 352 -3.533 -10.371 0.646 1.00 70.10 N ATOM 143 CA LEU A 352 -3.554 -8.967 0.925 1.00 73.23 C ATOM 144 C LEU A 352 -2.606 -8.174 0.030 1.00 52.51 C ATOM 145 O LEU A 352 -2.895 -7.030 -0.312 1.00 73.44 O ATOM 146 CB LEU A 352 -3.293 -8.682 2.379 1.00 43.54 C ATOM 147 CG LEU A 352 -4.328 -9.173 3.389 1.00 74.03 C ATOM 148 CD1 LEU A 352 -3.982 -8.648 4.740 1.00 52.15 C ATOM 149 CD2 LEU A 352 -5.721 -8.745 2.997 1.00 2.11 C ATOM 0 H LEU A 352 -3.065 -10.939 1.352 1.00 70.10 H new ATOM 0 HA LEU A 352 -4.564 -8.628 0.694 1.00 73.23 H new ATOM 0 HB2 LEU A 352 -2.331 -9.123 2.641 1.00 43.54 H new ATOM 0 HB3 LEU A 352 -3.192 -7.603 2.498 1.00 43.54 H new ATOM 0 HG LEU A 352 -4.313 -10.263 3.405 1.00 74.03 H new ATOM 0 HD11 LEU A 352 -4.718 -8.996 5.465 1.00 52.15 H new ATOM 0 HD12 LEU A 352 -2.993 -9.005 5.027 1.00 52.15 H new ATOM 0 HD13 LEU A 352 -3.981 -7.558 4.718 1.00 52.15 H new ATOM 0 HD21 LEU A 352 -6.435 -9.110 3.735 1.00 2.11 H new ATOM 0 HD22 LEU A 352 -5.768 -7.657 2.953 1.00 2.11 H new ATOM 0 HD23 LEU A 352 -5.967 -9.159 2.019 1.00 2.11 H new ATOM 161 N ILE A 353 -1.484 -8.777 -0.344 1.00 73.03 N ATOM 162 CA ILE A 353 -0.540 -8.126 -1.250 1.00 12.01 C ATOM 163 C ILE A 353 -1.227 -7.866 -2.574 1.00 45.13 C ATOM 164 O ILE A 353 -1.103 -6.785 -3.142 1.00 61.12 O ATOM 165 CB ILE A 353 0.745 -8.969 -1.488 1.00 33.31 C ATOM 166 CG1 ILE A 353 1.434 -9.247 -0.131 1.00 63.01 C ATOM 167 CG2 ILE A 353 1.680 -8.196 -2.428 1.00 73.11 C ATOM 168 CD1 ILE A 353 2.536 -10.280 -0.168 1.00 2.32 C ATOM 0 H ILE A 353 -1.205 -9.709 -0.038 1.00 73.03 H new ATOM 0 HA ILE A 353 -0.227 -7.192 -0.783 1.00 12.01 H new ATOM 0 HB ILE A 353 0.493 -9.924 -1.949 1.00 33.31 H new ATOM 0 HG12 ILE A 353 1.847 -8.312 0.247 1.00 63.01 H new ATOM 0 HG13 ILE A 353 0.677 -9.572 0.583 1.00 63.01 H new ATOM 0 HG21 ILE A 353 2.585 -8.779 -2.601 1.00 73.11 H new ATOM 0 HG22 ILE A 353 1.175 -8.018 -3.378 1.00 73.11 H new ATOM 0 HG23 ILE A 353 1.945 -7.241 -1.973 1.00 73.11 H new ATOM 0 HD11 ILE A 353 2.954 -10.402 0.831 1.00 2.32 H new ATOM 0 HD12 ILE A 353 2.131 -11.232 -0.510 1.00 2.32 H new ATOM 0 HD13 ILE A 353 3.319 -9.952 -0.852 1.00 2.32 H new ATOM 180 N ALA A 354 -1.984 -8.853 -3.052 1.00 0.04 N ATOM 181 CA ALA A 354 -2.734 -8.670 -4.269 1.00 31.40 C ATOM 182 C ALA A 354 -3.723 -7.532 -4.111 1.00 15.41 C ATOM 183 O ALA A 354 -3.905 -6.785 -5.018 1.00 12.31 O ATOM 184 CB ALA A 354 -3.429 -9.942 -4.723 1.00 1.43 C ATOM 0 H ALA A 354 -2.086 -9.769 -2.615 1.00 0.04 H new ATOM 0 HA ALA A 354 -2.022 -8.412 -5.053 1.00 31.40 H new ATOM 0 HB1 ALA A 354 -3.979 -9.747 -5.644 1.00 1.43 H new ATOM 0 HB2 ALA A 354 -2.686 -10.719 -4.902 1.00 1.43 H new ATOM 0 HB3 ALA A 354 -4.122 -10.274 -3.950 1.00 1.43 H new ATOM 190 N LYS A 355 -4.332 -7.385 -2.913 1.00 31.31 N ATOM 191 CA LYS A 355 -5.251 -6.258 -2.661 1.00 52.33 C ATOM 192 C LYS A 355 -4.537 -4.917 -2.816 1.00 22.01 C ATOM 193 O LYS A 355 -5.116 -3.959 -3.345 1.00 73.24 O ATOM 194 CB LYS A 355 -5.934 -6.315 -1.289 1.00 42.44 C ATOM 195 CG LYS A 355 -6.938 -7.393 -1.090 1.00 33.10 C ATOM 196 CD LYS A 355 -7.566 -7.208 0.269 1.00 24.20 C ATOM 197 CE LYS A 355 -8.876 -7.918 0.378 1.00 43.20 C ATOM 198 NZ LYS A 355 -8.779 -9.393 0.250 1.00 32.40 N ATOM 0 H LYS A 355 -4.207 -8.018 -2.123 1.00 31.31 H new ATOM 0 HA LYS A 355 -6.032 -6.352 -3.415 1.00 52.33 H new ATOM 0 HB2 LYS A 355 -5.161 -6.424 -0.528 1.00 42.44 H new ATOM 0 HB3 LYS A 355 -6.423 -5.357 -1.112 1.00 42.44 H new ATOM 0 HG2 LYS A 355 -7.699 -7.352 -1.869 1.00 33.10 H new ATOM 0 HG3 LYS A 355 -6.463 -8.372 -1.159 1.00 33.10 H new ATOM 0 HD2 LYS A 355 -6.887 -7.579 1.036 1.00 24.20 H new ATOM 0 HD3 LYS A 355 -7.712 -6.145 0.460 1.00 24.20 H new ATOM 0 HE2 LYS A 355 -9.329 -7.677 1.340 1.00 43.20 H new ATOM 0 HE3 LYS A 355 -9.547 -7.541 -0.394 1.00 43.20 H new ATOM 0 HZ1 LYS A 355 -9.320 -9.706 -0.582 1.00 32.40 H new ATOM 0 HZ2 LYS A 355 -7.782 -9.667 0.138 1.00 32.40 H new ATOM 0 HZ3 LYS A 355 -9.167 -9.842 1.104 1.00 32.40 H new ATOM 212 N ALA A 356 -3.288 -4.853 -2.365 1.00 65.22 N ATOM 213 CA ALA A 356 -2.475 -3.649 -2.521 1.00 24.40 C ATOM 214 C ALA A 356 -2.256 -3.372 -3.998 1.00 13.14 C ATOM 215 O ALA A 356 -2.316 -2.233 -4.452 1.00 3.04 O ATOM 216 CB ALA A 356 -1.137 -3.794 -1.798 1.00 42.20 C ATOM 0 H ALA A 356 -2.815 -5.621 -1.888 1.00 65.22 H new ATOM 0 HA ALA A 356 -3.004 -2.808 -2.073 1.00 24.40 H new ATOM 0 HB1 ALA A 356 -0.552 -2.884 -1.930 1.00 42.20 H new ATOM 0 HB2 ALA A 356 -1.314 -3.961 -0.735 1.00 42.20 H new ATOM 0 HB3 ALA A 356 -0.590 -4.641 -2.212 1.00 42.20 H new ATOM 222 N LEU A 357 -2.035 -4.429 -4.742 1.00 33.35 N ATOM 223 CA LEU A 357 -1.874 -4.332 -6.170 1.00 41.32 C ATOM 224 C LEU A 357 -3.207 -4.038 -6.875 1.00 63.51 C ATOM 225 O LEU A 357 -3.239 -3.344 -7.869 1.00 23.50 O ATOM 226 CB LEU A 357 -1.172 -5.566 -6.754 1.00 1.30 C ATOM 227 CG LEU A 357 0.373 -5.617 -6.637 1.00 63.41 C ATOM 228 CD1 LEU A 357 1.013 -4.538 -7.499 1.00 42.45 C ATOM 229 CD2 LEU A 357 0.854 -5.475 -5.199 1.00 22.34 C ATOM 0 H LEU A 357 -1.962 -5.378 -4.374 1.00 33.35 H new ATOM 0 HA LEU A 357 -1.220 -3.481 -6.360 1.00 41.32 H new ATOM 0 HB2 LEU A 357 -1.578 -6.451 -6.264 1.00 1.30 H new ATOM 0 HB3 LEU A 357 -1.435 -5.637 -7.810 1.00 1.30 H new ATOM 0 HG LEU A 357 0.680 -6.600 -6.993 1.00 63.41 H new ATOM 0 HD11 LEU A 357 2.097 -4.591 -7.403 1.00 42.45 H new ATOM 0 HD12 LEU A 357 0.733 -4.692 -8.541 1.00 42.45 H new ATOM 0 HD13 LEU A 357 0.667 -3.558 -7.171 1.00 42.45 H new ATOM 0 HD21 LEU A 357 1.943 -5.517 -5.174 1.00 22.34 H new ATOM 0 HD22 LEU A 357 0.519 -4.519 -4.796 1.00 22.34 H new ATOM 0 HD23 LEU A 357 0.445 -6.286 -4.597 1.00 22.34 H new ATOM 241 N LYS A 358 -4.313 -4.547 -6.318 1.00 44.34 N ATOM 242 CA LYS A 358 -5.660 -4.297 -6.840 1.00 20.34 C ATOM 243 C LYS A 358 -6.033 -2.839 -6.702 1.00 1.21 C ATOM 244 O LYS A 358 -7.001 -2.370 -7.315 1.00 72.40 O ATOM 245 CB LYS A 358 -6.717 -5.163 -6.135 1.00 43.51 C ATOM 246 CG LYS A 358 -6.539 -6.657 -6.317 1.00 52.25 C ATOM 247 CD LYS A 358 -7.673 -7.461 -5.711 1.00 13.24 C ATOM 248 CE LYS A 358 -8.988 -7.200 -6.430 1.00 40.34 C ATOM 249 NZ LYS A 358 -10.082 -8.032 -5.901 1.00 5.11 N ATOM 0 H LYS A 358 -4.298 -5.145 -5.491 1.00 44.34 H new ATOM 0 HA LYS A 358 -5.642 -4.566 -7.896 1.00 20.34 H new ATOM 0 HB2 LYS A 358 -6.700 -4.936 -5.069 1.00 43.51 H new ATOM 0 HB3 LYS A 358 -7.703 -4.881 -6.505 1.00 43.51 H new ATOM 0 HG2 LYS A 358 -6.467 -6.883 -7.381 1.00 52.25 H new ATOM 0 HG3 LYS A 358 -5.598 -6.964 -5.862 1.00 52.25 H new ATOM 0 HD2 LYS A 358 -7.434 -8.523 -5.761 1.00 13.24 H new ATOM 0 HD3 LYS A 358 -7.777 -7.207 -4.656 1.00 13.24 H new ATOM 0 HE2 LYS A 358 -9.253 -6.147 -6.330 1.00 40.34 H new ATOM 0 HE3 LYS A 358 -8.864 -7.398 -7.495 1.00 40.34 H new ATOM 0 HZ1 LYS A 358 -10.959 -7.822 -6.419 1.00 5.11 H new ATOM 0 HZ2 LYS A 358 -9.842 -9.037 -6.019 1.00 5.11 H new ATOM 0 HZ3 LYS A 358 -10.218 -7.825 -4.891 1.00 5.11 H new ATOM 263 N SER A 359 -5.272 -2.126 -5.892 1.00 20.51 N ATOM 264 CA SER A 359 -5.462 -0.725 -5.717 1.00 25.20 C ATOM 265 C SER A 359 -5.034 0.007 -7.001 1.00 21.00 C ATOM 266 O SER A 359 -5.465 1.130 -7.248 1.00 33.31 O ATOM 267 CB SER A 359 -4.688 -0.226 -4.473 1.00 34.23 C ATOM 268 OG SER A 359 -4.888 1.160 -4.236 1.00 34.41 O ATOM 0 H SER A 359 -4.507 -2.517 -5.342 1.00 20.51 H new ATOM 0 HA SER A 359 -6.516 -0.511 -5.539 1.00 25.20 H new ATOM 0 HB2 SER A 359 -5.007 -0.792 -3.598 1.00 34.23 H new ATOM 0 HB3 SER A 359 -3.624 -0.420 -4.608 1.00 34.23 H new ATOM 0 HG SER A 359 -4.383 1.432 -3.441 1.00 34.41 H new ATOM 274 N THR A 360 -4.197 -0.659 -7.827 1.00 60.04 N ATOM 275 CA THR A 360 -3.780 -0.111 -9.099 1.00 53.10 C ATOM 276 C THR A 360 -2.899 -1.106 -9.921 1.00 3.33 C ATOM 277 O THR A 360 -1.667 -1.046 -9.914 1.00 72.02 O ATOM 278 CB THR A 360 -3.084 1.298 -8.955 1.00 43.01 C ATOM 279 OG1 THR A 360 -2.756 1.855 -10.248 1.00 22.20 O ATOM 280 CG2 THR A 360 -1.824 1.210 -8.094 1.00 11.31 C ATOM 0 H THR A 360 -3.806 -1.578 -7.618 1.00 60.04 H new ATOM 0 HA THR A 360 -4.697 0.046 -9.668 1.00 53.10 H new ATOM 0 HB THR A 360 -3.797 1.958 -8.461 1.00 43.01 H new ATOM 0 HG1 THR A 360 -2.328 2.728 -10.129 1.00 22.20 H new ATOM 0 HG21 THR A 360 -1.368 2.197 -8.014 1.00 11.31 H new ATOM 0 HG22 THR A 360 -2.087 0.851 -7.099 1.00 11.31 H new ATOM 0 HG23 THR A 360 -1.117 0.520 -8.554 1.00 11.31 H new ATOM 288 N PHE A 361 -3.536 -2.078 -10.577 1.00 52.21 N ATOM 289 CA PHE A 361 -2.817 -2.949 -11.475 1.00 62.43 C ATOM 290 C PHE A 361 -2.422 -2.158 -12.705 1.00 52.40 C ATOM 291 O PHE A 361 -1.454 -2.461 -13.391 1.00 62.45 O ATOM 292 CB PHE A 361 -3.670 -4.129 -11.911 1.00 14.32 C ATOM 293 CG PHE A 361 -3.977 -5.184 -10.874 1.00 11.34 C ATOM 294 CD1 PHE A 361 -2.963 -5.937 -10.274 1.00 5.53 C ATOM 295 CD2 PHE A 361 -5.284 -5.458 -10.535 1.00 31.32 C ATOM 296 CE1 PHE A 361 -3.272 -6.940 -9.355 1.00 41.13 C ATOM 297 CE2 PHE A 361 -5.589 -6.445 -9.623 1.00 15.32 C ATOM 298 CZ PHE A 361 -4.582 -7.186 -9.036 1.00 34.33 C ATOM 0 H PHE A 361 -4.534 -2.271 -10.498 1.00 52.21 H new ATOM 0 HA PHE A 361 -1.941 -3.332 -10.952 1.00 62.43 H new ATOM 0 HB2 PHE A 361 -4.616 -3.740 -12.287 1.00 14.32 H new ATOM 0 HB3 PHE A 361 -3.170 -4.615 -12.749 1.00 14.32 H new ATOM 0 HD1 PHE A 361 -1.931 -5.740 -10.524 1.00 5.53 H new ATOM 0 HD2 PHE A 361 -6.082 -4.891 -10.991 1.00 31.32 H new ATOM 0 HE1 PHE A 361 -2.484 -7.519 -8.898 1.00 41.13 H new ATOM 0 HE2 PHE A 361 -6.620 -6.640 -9.366 1.00 15.32 H new ATOM 0 HZ PHE A 361 -4.827 -7.961 -8.324 1.00 34.33 H new ATOM 308 N ASP A 362 -3.185 -1.119 -12.938 1.00 44.35 N ATOM 309 CA ASP A 362 -3.057 -0.230 -14.090 1.00 12.11 C ATOM 310 C ASP A 362 -1.823 0.639 -13.981 1.00 51.23 C ATOM 311 O ASP A 362 -1.408 1.272 -14.960 1.00 10.41 O ATOM 312 CB ASP A 362 -4.294 0.672 -14.169 1.00 70.23 C ATOM 313 CG ASP A 362 -4.461 1.521 -12.919 1.00 65.32 C ATOM 314 OD1 ASP A 362 -4.935 0.983 -11.882 1.00 4.23 O ATOM 315 OD2 ASP A 362 -4.119 2.709 -12.941 1.00 43.14 O ATOM 0 H ASP A 362 -3.945 -0.850 -12.313 1.00 44.35 H new ATOM 0 HA ASP A 362 -2.969 -0.844 -14.986 1.00 12.11 H new ATOM 0 HB2 ASP A 362 -4.214 1.322 -15.040 1.00 70.23 H new ATOM 0 HB3 ASP A 362 -5.183 0.057 -14.311 1.00 70.23 H new ATOM 320 N GLY A 363 -1.227 0.654 -12.823 1.00 11.31 N ATOM 321 CA GLY A 363 -0.068 1.414 -12.628 1.00 54.24 C ATOM 322 C GLY A 363 0.998 0.593 -12.009 1.00 22.22 C ATOM 323 O GLY A 363 1.531 -0.338 -12.637 1.00 62.54 O ATOM 0 H GLY A 363 -1.544 0.136 -12.003 1.00 11.31 H new ATOM 0 HA2 GLY A 363 0.279 1.809 -13.583 1.00 54.24 H new ATOM 0 HA3 GLY A 363 -0.291 2.270 -11.991 1.00 54.24 H new ATOM 327 N ARG A 364 1.305 0.902 -10.789 1.00 64.24 N ATOM 328 CA ARG A 364 2.345 0.246 -10.088 1.00 41.43 C ATOM 329 C ARG A 364 2.212 0.402 -8.603 1.00 53.44 C ATOM 330 O ARG A 364 1.568 1.325 -8.106 1.00 62.03 O ATOM 331 CB ARG A 364 3.675 0.837 -10.484 1.00 65.03 C ATOM 332 CG ARG A 364 3.670 2.359 -10.430 1.00 3.44 C ATOM 333 CD ARG A 364 5.047 2.895 -10.349 1.00 4.34 C ATOM 334 NE ARG A 364 5.094 4.350 -10.479 1.00 73.34 N ATOM 335 CZ ARG A 364 5.511 5.192 -9.532 1.00 62.54 C ATOM 336 NH1 ARG A 364 5.649 4.780 -8.272 1.00 1.25 N ATOM 337 NH2 ARG A 364 5.709 6.461 -9.825 1.00 34.43 N ATOM 0 H ARG A 364 0.830 1.627 -10.251 1.00 64.24 H new ATOM 0 HA ARG A 364 2.281 -0.811 -10.345 1.00 41.43 H new ATOM 0 HB2 ARG A 364 4.452 0.455 -9.822 1.00 65.03 H new ATOM 0 HB3 ARG A 364 3.928 0.512 -11.493 1.00 65.03 H new ATOM 0 HG2 ARG A 364 3.174 2.756 -11.316 1.00 3.44 H new ATOM 0 HG3 ARG A 364 3.095 2.693 -9.566 1.00 3.44 H new ATOM 0 HD2 ARG A 364 5.490 2.605 -9.396 1.00 4.34 H new ATOM 0 HD3 ARG A 364 5.655 2.444 -11.134 1.00 4.34 H new ATOM 0 HE ARG A 364 4.784 4.753 -11.363 1.00 73.34 H new ATOM 0 HH11 ARG A 364 5.435 3.814 -8.025 1.00 1.25 H new ATOM 0 HH12 ARG A 364 5.968 5.431 -7.555 1.00 1.25 H new ATOM 0 HH21 ARG A 364 5.543 6.797 -10.774 1.00 34.43 H new ATOM 0 HH22 ARG A 364 6.028 7.107 -9.103 1.00 34.43 H new ATOM 351 N MET A 365 2.847 -0.489 -7.927 1.00 71.52 N ATOM 352 CA MET A 365 3.036 -0.447 -6.522 1.00 12.22 C ATOM 353 C MET A 365 4.478 -0.566 -6.246 1.00 5.35 C ATOM 354 O MET A 365 5.236 -1.045 -7.081 1.00 52.50 O ATOM 355 CB MET A 365 2.248 -1.513 -5.772 1.00 40.43 C ATOM 356 CG MET A 365 0.900 -1.032 -5.314 1.00 22.30 C ATOM 357 SD MET A 365 1.108 0.289 -4.106 1.00 25.13 S ATOM 358 CE MET A 365 -0.575 0.622 -3.655 1.00 33.03 C ATOM 0 H MET A 365 3.270 -1.309 -8.363 1.00 71.52 H new ATOM 0 HA MET A 365 2.650 0.505 -6.157 1.00 12.22 H new ATOM 0 HB2 MET A 365 2.118 -2.382 -6.417 1.00 40.43 H new ATOM 0 HB3 MET A 365 2.824 -1.841 -4.907 1.00 40.43 H new ATOM 0 HG2 MET A 365 0.322 -0.672 -6.166 1.00 22.30 H new ATOM 0 HG3 MET A 365 0.339 -1.856 -4.874 1.00 22.30 H new ATOM 0 HE1 MET A 365 -0.602 1.420 -2.913 1.00 33.03 H new ATOM 0 HE2 MET A 365 -1.134 0.930 -4.539 1.00 33.03 H new ATOM 0 HE3 MET A 365 -1.024 -0.278 -3.236 1.00 33.03 H new ATOM 368 N ARG A 366 4.886 -0.067 -5.161 1.00 24.23 N ATOM 369 CA ARG A 366 6.241 -0.205 -4.772 1.00 64.10 C ATOM 370 C ARG A 366 6.348 -1.103 -3.600 1.00 54.22 C ATOM 371 O ARG A 366 5.391 -1.236 -2.843 1.00 34.42 O ATOM 372 CB ARG A 366 6.853 1.120 -4.487 1.00 44.43 C ATOM 373 CG ARG A 366 7.032 1.940 -5.731 1.00 32.04 C ATOM 374 CD ARG A 366 7.694 3.226 -5.424 1.00 61.13 C ATOM 375 NE ARG A 366 6.829 4.119 -4.651 1.00 14.55 N ATOM 376 CZ ARG A 366 7.204 5.245 -4.041 1.00 55.11 C ATOM 377 NH1 ARG A 366 8.483 5.587 -3.992 1.00 24.33 N ATOM 378 NH2 ARG A 366 6.291 6.013 -3.459 1.00 65.10 N ATOM 0 H ARG A 366 4.301 0.452 -4.506 1.00 24.23 H new ATOM 0 HA ARG A 366 6.793 -0.651 -5.599 1.00 64.10 H new ATOM 0 HB2 ARG A 366 6.225 1.665 -3.782 1.00 44.43 H new ATOM 0 HB3 ARG A 366 7.821 0.976 -4.006 1.00 44.43 H new ATOM 0 HG2 ARG A 366 7.627 1.384 -6.456 1.00 32.04 H new ATOM 0 HG3 ARG A 366 6.062 2.127 -6.191 1.00 32.04 H new ATOM 0 HD2 ARG A 366 8.611 3.037 -4.866 1.00 61.13 H new ATOM 0 HD3 ARG A 366 7.982 3.716 -6.354 1.00 61.13 H new ATOM 0 HE ARG A 366 5.847 3.856 -4.571 1.00 14.55 H new ATOM 0 HH11 ARG A 366 9.188 4.988 -4.422 1.00 24.33 H new ATOM 0 HH12 ARG A 366 8.763 6.449 -3.524 1.00 24.33 H new ATOM 0 HH21 ARG A 366 5.308 5.741 -3.479 1.00 65.10 H new ATOM 0 HH22 ARG A 366 6.572 6.875 -2.991 1.00 65.10 H new ATOM 392 N LEU A 367 7.486 -1.739 -3.451 1.00 12.25 N ATOM 393 CA LEU A 367 7.751 -2.599 -2.319 1.00 11.14 C ATOM 394 C LEU A 367 7.486 -1.879 -0.975 1.00 72.45 C ATOM 395 O LEU A 367 6.875 -2.455 -0.071 1.00 41.33 O ATOM 396 CB LEU A 367 9.168 -3.183 -2.444 1.00 15.14 C ATOM 397 CG LEU A 367 9.758 -3.911 -1.248 1.00 4.42 C ATOM 398 CD1 LEU A 367 8.839 -4.992 -0.768 1.00 33.02 C ATOM 399 CD2 LEU A 367 11.059 -4.520 -1.662 1.00 21.40 C ATOM 0 H LEU A 367 8.258 -1.675 -4.114 1.00 12.25 H new ATOM 0 HA LEU A 367 7.053 -3.436 -2.324 1.00 11.14 H new ATOM 0 HB2 LEU A 367 9.169 -3.874 -3.287 1.00 15.14 H new ATOM 0 HB3 LEU A 367 9.842 -2.366 -2.701 1.00 15.14 H new ATOM 0 HG LEU A 367 9.902 -3.200 -0.434 1.00 4.42 H new ATOM 0 HD11 LEU A 367 9.287 -5.496 0.088 1.00 33.02 H new ATOM 0 HD12 LEU A 367 7.885 -4.554 -0.474 1.00 33.02 H new ATOM 0 HD13 LEU A 367 8.676 -5.713 -1.569 1.00 33.02 H new ATOM 0 HD21 LEU A 367 11.499 -5.048 -0.816 1.00 21.40 H new ATOM 0 HD22 LEU A 367 10.889 -5.221 -2.479 1.00 21.40 H new ATOM 0 HD23 LEU A 367 11.739 -3.735 -1.993 1.00 21.40 H new ATOM 411 N ASN A 368 7.886 -0.618 -0.870 1.00 2.53 N ATOM 412 CA ASN A 368 7.598 0.157 0.347 1.00 63.11 C ATOM 413 C ASN A 368 6.105 0.467 0.454 1.00 74.30 C ATOM 414 O ASN A 368 5.546 0.480 1.547 1.00 43.30 O ATOM 415 CB ASN A 368 8.414 1.470 0.449 1.00 53.31 C ATOM 416 CG ASN A 368 8.089 2.501 -0.631 1.00 53.13 C ATOM 417 OD1 ASN A 368 7.767 2.163 -1.760 1.00 5.43 O ATOM 418 ND2 ASN A 368 8.135 3.760 -0.269 1.00 12.20 N ATOM 0 H ASN A 368 8.400 -0.112 -1.591 1.00 2.53 H new ATOM 0 HA ASN A 368 7.905 -0.474 1.181 1.00 63.11 H new ATOM 0 HB2 ASN A 368 8.237 1.918 1.427 1.00 53.31 H new ATOM 0 HB3 ASN A 368 9.476 1.229 0.396 1.00 53.31 H new ATOM 0 HD21 ASN A 368 7.898 4.492 -0.938 1.00 12.20 H new ATOM 0 HD22 ASN A 368 8.408 4.008 0.682 1.00 12.20 H new ATOM 425 N GLU A 369 5.462 0.689 -0.686 1.00 34.12 N ATOM 426 CA GLU A 369 4.044 1.001 -0.723 1.00 32.44 C ATOM 427 C GLU A 369 3.186 -0.172 -0.347 1.00 35.55 C ATOM 428 O GLU A 369 2.106 0.010 0.180 1.00 51.21 O ATOM 429 CB GLU A 369 3.603 1.623 -2.027 1.00 3.24 C ATOM 430 CG GLU A 369 4.192 2.985 -2.265 1.00 73.42 C ATOM 431 CD GLU A 369 3.656 3.623 -3.503 1.00 70.31 C ATOM 432 OE1 GLU A 369 2.611 4.292 -3.430 1.00 73.12 O ATOM 433 OE2 GLU A 369 4.285 3.499 -4.553 1.00 42.05 O ATOM 0 H GLU A 369 5.907 0.658 -1.603 1.00 34.12 H new ATOM 0 HA GLU A 369 3.897 1.763 0.043 1.00 32.44 H new ATOM 0 HB2 GLU A 369 3.884 0.965 -2.849 1.00 3.24 H new ATOM 0 HB3 GLU A 369 2.516 1.698 -2.036 1.00 3.24 H new ATOM 0 HG2 GLU A 369 3.981 3.625 -1.408 1.00 73.42 H new ATOM 0 HG3 GLU A 369 5.276 2.902 -2.341 1.00 73.42 H new ATOM 440 N ILE A 370 3.657 -1.375 -0.641 1.00 11.54 N ATOM 441 CA ILE A 370 2.987 -2.584 -0.179 1.00 54.24 C ATOM 442 C ILE A 370 2.881 -2.518 1.336 1.00 33.53 C ATOM 443 O ILE A 370 1.807 -2.683 1.900 1.00 41.23 O ATOM 444 CB ILE A 370 3.762 -3.862 -0.610 1.00 53.41 C ATOM 445 CG1 ILE A 370 3.755 -3.986 -2.143 1.00 41.10 C ATOM 446 CG2 ILE A 370 3.180 -5.129 0.052 1.00 3.00 C ATOM 447 CD1 ILE A 370 4.560 -5.146 -2.661 1.00 1.43 C ATOM 0 H ILE A 370 4.497 -1.541 -1.195 1.00 11.54 H new ATOM 0 HA ILE A 370 1.996 -2.641 -0.628 1.00 54.24 H new ATOM 0 HB ILE A 370 4.793 -3.768 -0.269 1.00 53.41 H new ATOM 0 HG12 ILE A 370 2.725 -4.089 -2.485 1.00 41.10 H new ATOM 0 HG13 ILE A 370 4.144 -3.064 -2.575 1.00 41.10 H new ATOM 0 HG21 ILE A 370 3.746 -6.002 -0.272 1.00 3.00 H new ATOM 0 HG22 ILE A 370 3.246 -5.036 1.136 1.00 3.00 H new ATOM 0 HG23 ILE A 370 2.136 -5.245 -0.240 1.00 3.00 H new ATOM 0 HD11 ILE A 370 4.507 -5.168 -3.750 1.00 1.43 H new ATOM 0 HD12 ILE A 370 5.599 -5.036 -2.350 1.00 1.43 H new ATOM 0 HD13 ILE A 370 4.158 -6.076 -2.259 1.00 1.43 H new ATOM 459 N TYR A 371 4.002 -2.201 1.975 1.00 12.12 N ATOM 460 CA TYR A 371 4.046 -2.039 3.422 1.00 24.53 C ATOM 461 C TYR A 371 3.114 -0.916 3.854 1.00 31.23 C ATOM 462 O TYR A 371 2.355 -1.053 4.817 1.00 33.42 O ATOM 463 CB TYR A 371 5.469 -1.740 3.903 1.00 21.22 C ATOM 464 CG TYR A 371 6.488 -2.802 3.568 1.00 70.01 C ATOM 465 CD1 TYR A 371 6.238 -4.139 3.814 1.00 20.10 C ATOM 466 CD2 TYR A 371 7.702 -2.458 3.003 1.00 25.51 C ATOM 467 CE1 TYR A 371 7.174 -5.099 3.508 1.00 12.43 C ATOM 468 CE2 TYR A 371 8.641 -3.412 2.696 1.00 45.54 C ATOM 469 CZ TYR A 371 8.375 -4.729 2.950 1.00 73.12 C ATOM 470 OH TYR A 371 9.313 -5.684 2.651 1.00 60.22 O ATOM 0 H TYR A 371 4.897 -2.051 1.509 1.00 12.12 H new ATOM 0 HA TYR A 371 3.719 -2.976 3.873 1.00 24.53 H new ATOM 0 HB2 TYR A 371 5.793 -0.795 3.467 1.00 21.22 H new ATOM 0 HB3 TYR A 371 5.450 -1.603 4.984 1.00 21.22 H new ATOM 0 HD1 TYR A 371 5.296 -4.433 4.252 1.00 20.10 H new ATOM 0 HD2 TYR A 371 7.916 -1.419 2.799 1.00 25.51 H new ATOM 0 HE1 TYR A 371 6.966 -6.140 3.705 1.00 12.43 H new ATOM 0 HE2 TYR A 371 9.584 -3.124 2.256 1.00 45.54 H new ATOM 0 HH TYR A 371 10.104 -5.255 2.262 1.00 60.22 H new ATOM 480 N ASN A 372 3.161 0.175 3.117 1.00 64.53 N ATOM 481 CA ASN A 372 2.325 1.349 3.392 1.00 1.15 C ATOM 482 C ASN A 372 0.849 1.010 3.302 1.00 54.10 C ATOM 483 O ASN A 372 0.051 1.489 4.106 1.00 43.50 O ATOM 484 CB ASN A 372 2.631 2.533 2.453 1.00 44.14 C ATOM 485 CG ASN A 372 4.046 3.076 2.579 1.00 45.13 C ATOM 486 OD1 ASN A 372 4.667 2.998 3.635 1.00 11.05 O ATOM 487 ND2 ASN A 372 4.553 3.661 1.512 1.00 23.53 N ATOM 0 H ASN A 372 3.775 0.283 2.310 1.00 64.53 H new ATOM 0 HA ASN A 372 2.568 1.653 4.410 1.00 1.15 H new ATOM 0 HB2 ASN A 372 2.465 2.218 1.423 1.00 44.14 H new ATOM 0 HB3 ASN A 372 1.925 3.338 2.658 1.00 44.14 H new ATOM 0 HD21 ASN A 372 5.488 4.066 1.548 1.00 23.53 H new ATOM 0 HD22 ASN A 372 4.010 3.709 0.650 1.00 23.53 H new ATOM 494 N TRP A 373 0.486 0.180 2.323 1.00 63.34 N ATOM 495 CA TRP A 373 -0.888 -0.256 2.138 1.00 60.22 C ATOM 496 C TRP A 373 -1.391 -0.944 3.391 1.00 11.01 C ATOM 497 O TRP A 373 -2.469 -0.611 3.896 1.00 61.43 O ATOM 498 CB TRP A 373 -1.009 -1.193 0.925 1.00 54.12 C ATOM 499 CG TRP A 373 -2.415 -1.681 0.658 1.00 32.14 C ATOM 500 CD1 TRP A 373 -3.331 -1.125 -0.187 1.00 71.43 C ATOM 501 CD2 TRP A 373 -3.057 -2.830 1.240 1.00 32.14 C ATOM 502 NE1 TRP A 373 -4.495 -1.855 -0.167 1.00 44.52 N ATOM 503 CE2 TRP A 373 -4.352 -2.908 0.701 1.00 14.40 C ATOM 504 CE3 TRP A 373 -2.652 -3.794 2.161 1.00 43.01 C ATOM 505 CZ2 TRP A 373 -5.247 -3.919 1.057 1.00 40.22 C ATOM 506 CZ3 TRP A 373 -3.535 -4.791 2.514 1.00 63.33 C ATOM 507 CH2 TRP A 373 -4.818 -4.849 1.963 1.00 72.15 C ATOM 0 H TRP A 373 1.139 -0.205 1.640 1.00 63.34 H new ATOM 0 HA TRP A 373 -1.504 0.623 1.948 1.00 60.22 H new ATOM 0 HB2 TRP A 373 -0.643 -0.673 0.040 1.00 54.12 H new ATOM 0 HB3 TRP A 373 -0.360 -2.055 1.080 1.00 54.12 H new ATOM 0 HD1 TRP A 373 -3.165 -0.241 -0.784 1.00 71.43 H new ATOM 0 HE1 TRP A 373 -5.332 -1.647 -0.711 1.00 44.52 H new ATOM 0 HE3 TRP A 373 -1.662 -3.760 2.591 1.00 43.01 H new ATOM 0 HZ2 TRP A 373 -6.239 -3.965 0.633 1.00 40.22 H new ATOM 0 HZ3 TRP A 373 -3.230 -5.541 3.229 1.00 63.33 H new ATOM 0 HH2 TRP A 373 -5.485 -5.645 2.259 1.00 72.15 H new ATOM 518 N PHE A 374 -0.611 -1.894 3.901 1.00 24.02 N ATOM 519 CA PHE A 374 -0.971 -2.606 5.127 1.00 40.32 C ATOM 520 C PHE A 374 -1.066 -1.661 6.287 1.00 52.32 C ATOM 521 O PHE A 374 -2.016 -1.704 7.045 1.00 1.24 O ATOM 522 CB PHE A 374 0.023 -3.724 5.465 1.00 23.42 C ATOM 523 CG PHE A 374 0.016 -4.894 4.544 1.00 5.42 C ATOM 524 CD1 PHE A 374 -0.815 -5.965 4.784 1.00 42.40 C ATOM 525 CD2 PHE A 374 0.843 -4.934 3.454 1.00 35.45 C ATOM 526 CE1 PHE A 374 -0.819 -7.053 3.946 1.00 23.31 C ATOM 527 CE2 PHE A 374 0.844 -6.020 2.603 1.00 34.54 C ATOM 528 CZ PHE A 374 0.012 -7.081 2.851 1.00 25.23 C ATOM 0 H PHE A 374 0.273 -2.189 3.486 1.00 24.02 H new ATOM 0 HA PHE A 374 -1.945 -3.061 4.944 1.00 40.32 H new ATOM 0 HB2 PHE A 374 1.027 -3.301 5.477 1.00 23.42 H new ATOM 0 HB3 PHE A 374 -0.186 -4.078 6.474 1.00 23.42 H new ATOM 0 HD1 PHE A 374 -1.472 -5.949 5.641 1.00 42.40 H new ATOM 0 HD2 PHE A 374 1.504 -4.103 3.257 1.00 35.45 H new ATOM 0 HE1 PHE A 374 -1.475 -7.887 4.147 1.00 23.31 H new ATOM 0 HE2 PHE A 374 1.498 -6.034 1.744 1.00 34.54 H new ATOM 0 HZ PHE A 374 0.009 -7.935 2.189 1.00 25.23 H new ATOM 538 N ALA A 375 -0.094 -0.799 6.399 1.00 72.12 N ATOM 539 CA ALA A 375 -0.034 0.161 7.488 1.00 14.10 C ATOM 540 C ALA A 375 -1.234 1.103 7.469 1.00 53.41 C ATOM 541 O ALA A 375 -1.760 1.474 8.509 1.00 14.32 O ATOM 542 CB ALA A 375 1.254 0.948 7.412 1.00 23.53 C ATOM 0 H ALA A 375 0.684 -0.735 5.742 1.00 72.12 H new ATOM 0 HA ALA A 375 -0.062 -0.391 8.427 1.00 14.10 H new ATOM 0 HB1 ALA A 375 1.291 1.665 8.232 1.00 23.53 H new ATOM 0 HB2 ALA A 375 2.102 0.267 7.487 1.00 23.53 H new ATOM 0 HB3 ALA A 375 1.300 1.480 6.462 1.00 23.53 H new ATOM 548 N SER A 376 -1.647 1.480 6.296 1.00 22.12 N ATOM 549 CA SER A 376 -2.765 2.380 6.124 1.00 52.42 C ATOM 550 C SER A 376 -4.127 1.670 6.273 1.00 44.14 C ATOM 551 O SER A 376 -5.025 2.177 6.937 1.00 3.24 O ATOM 552 CB SER A 376 -2.666 3.069 4.768 1.00 42.32 C ATOM 553 OG SER A 376 -1.403 3.727 4.629 1.00 55.44 O ATOM 0 H SER A 376 -1.220 1.174 5.422 1.00 22.12 H new ATOM 0 HA SER A 376 -2.713 3.124 6.919 1.00 52.42 H new ATOM 0 HB2 SER A 376 -2.790 2.335 3.971 1.00 42.32 H new ATOM 0 HB3 SER A 376 -3.473 3.794 4.662 1.00 42.32 H new ATOM 0 HG SER A 376 -0.709 3.064 4.430 1.00 55.44 H new ATOM 559 N ASN A 377 -4.266 0.487 5.679 1.00 0.34 N ATOM 560 CA ASN A 377 -5.570 -0.191 5.659 1.00 43.33 C ATOM 561 C ASN A 377 -5.792 -1.074 6.867 1.00 15.23 C ATOM 562 O ASN A 377 -6.937 -1.351 7.245 1.00 44.23 O ATOM 563 CB ASN A 377 -5.790 -0.982 4.348 1.00 73.22 C ATOM 564 CG ASN A 377 -5.924 -0.084 3.131 1.00 25.52 C ATOM 565 OD1 ASN A 377 -7.029 0.318 2.764 1.00 74.34 O ATOM 566 ND2 ASN A 377 -4.818 0.235 2.505 1.00 32.25 N ATOM 0 H ASN A 377 -3.512 -0.018 5.213 1.00 0.34 H new ATOM 0 HA ASN A 377 -6.318 0.601 5.703 1.00 43.33 H new ATOM 0 HB2 ASN A 377 -4.955 -1.666 4.198 1.00 73.22 H new ATOM 0 HB3 ASN A 377 -6.688 -1.592 4.444 1.00 73.22 H new ATOM 0 HD21 ASN A 377 -4.853 0.837 1.682 1.00 32.25 H new ATOM 0 HD22 ASN A 377 -3.922 -0.118 2.841 1.00 32.25 H new ATOM 573 N VAL A 378 -4.728 -1.515 7.477 1.00 32.24 N ATOM 574 CA VAL A 378 -4.819 -2.363 8.634 1.00 15.34 C ATOM 575 C VAL A 378 -4.317 -1.596 9.851 1.00 31.44 C ATOM 576 O VAL A 378 -3.148 -1.187 9.903 1.00 51.25 O ATOM 577 CB VAL A 378 -4.007 -3.669 8.453 1.00 30.44 C ATOM 578 CG1 VAL A 378 -4.158 -4.592 9.659 1.00 74.32 C ATOM 579 CG2 VAL A 378 -4.422 -4.386 7.175 1.00 54.52 C ATOM 0 H VAL A 378 -3.774 -1.298 7.188 1.00 32.24 H new ATOM 0 HA VAL A 378 -5.862 -2.647 8.774 1.00 15.34 H new ATOM 0 HB VAL A 378 -2.955 -3.396 8.373 1.00 30.44 H new ATOM 0 HG11 VAL A 378 -3.575 -5.499 9.498 1.00 74.32 H new ATOM 0 HG12 VAL A 378 -3.799 -4.083 10.554 1.00 74.32 H new ATOM 0 HG13 VAL A 378 -5.208 -4.854 9.788 1.00 74.32 H new ATOM 0 HG21 VAL A 378 -3.840 -5.301 7.066 1.00 54.52 H new ATOM 0 HG22 VAL A 378 -5.482 -4.634 7.225 1.00 54.52 H new ATOM 0 HG23 VAL A 378 -4.241 -3.737 6.318 1.00 54.52 H new ATOM 589 N PRO A 379 -5.190 -1.412 10.853 1.00 64.31 N ATOM 590 CA PRO A 379 -4.881 -0.619 12.049 1.00 33.30 C ATOM 591 C PRO A 379 -3.721 -1.194 12.851 1.00 53.41 C ATOM 592 O PRO A 379 -2.969 -0.454 13.475 1.00 41.22 O ATOM 593 CB PRO A 379 -6.179 -0.645 12.866 1.00 75.32 C ATOM 594 CG PRO A 379 -6.964 -1.794 12.331 1.00 34.42 C ATOM 595 CD PRO A 379 -6.550 -1.972 10.898 1.00 62.53 C ATOM 0 HA PRO A 379 -4.563 0.390 11.785 1.00 33.30 H new ATOM 0 HB2 PRO A 379 -5.971 -0.772 13.928 1.00 75.32 H new ATOM 0 HB3 PRO A 379 -6.729 0.290 12.759 1.00 75.32 H new ATOM 0 HG2 PRO A 379 -6.766 -2.699 12.906 1.00 34.42 H new ATOM 0 HG3 PRO A 379 -8.034 -1.598 12.403 1.00 34.42 H new ATOM 0 HD2 PRO A 379 -6.560 -3.022 10.606 1.00 62.53 H new ATOM 0 HD3 PRO A 379 -7.222 -1.446 10.219 1.00 62.53 H new ATOM 603 N TYR A 380 -3.564 -2.514 12.797 1.00 62.15 N ATOM 604 CA TYR A 380 -2.497 -3.197 13.494 1.00 64.01 C ATOM 605 C TYR A 380 -1.146 -2.711 12.971 1.00 71.23 C ATOM 606 O TYR A 380 -0.229 -2.434 13.741 1.00 55.22 O ATOM 607 CB TYR A 380 -2.660 -4.703 13.268 1.00 44.31 C ATOM 608 CG TYR A 380 -1.669 -5.564 13.993 1.00 31.42 C ATOM 609 CD1 TYR A 380 -1.787 -5.773 15.353 1.00 4.21 C ATOM 610 CD2 TYR A 380 -0.635 -6.186 13.318 1.00 55.41 C ATOM 611 CE1 TYR A 380 -0.902 -6.576 16.026 1.00 50.10 C ATOM 612 CE2 TYR A 380 0.262 -6.990 13.978 1.00 14.33 C ATOM 613 CZ TYR A 380 0.124 -7.186 15.337 1.00 10.10 C ATOM 614 OH TYR A 380 1.009 -7.998 16.006 1.00 71.43 O ATOM 0 H TYR A 380 -4.177 -3.133 12.267 1.00 62.15 H new ATOM 0 HA TYR A 380 -2.541 -2.985 14.562 1.00 64.01 H new ATOM 0 HB2 TYR A 380 -3.665 -4.994 13.575 1.00 44.31 H new ATOM 0 HB3 TYR A 380 -2.581 -4.905 12.200 1.00 44.31 H new ATOM 0 HD1 TYR A 380 -2.590 -5.296 15.896 1.00 4.21 H new ATOM 0 HD2 TYR A 380 -0.531 -6.037 12.253 1.00 55.41 H new ATOM 0 HE1 TYR A 380 -1.008 -6.729 17.090 1.00 50.10 H new ATOM 0 HE2 TYR A 380 1.068 -7.465 13.438 1.00 14.33 H new ATOM 0 HH TYR A 380 1.671 -8.351 15.375 1.00 71.43 H new ATOM 624 N PHE A 381 -1.044 -2.582 11.663 1.00 75.40 N ATOM 625 CA PHE A 381 0.177 -2.129 11.046 1.00 61.20 C ATOM 626 C PHE A 381 0.362 -0.650 11.180 1.00 65.22 C ATOM 627 O PHE A 381 1.481 -0.172 11.215 1.00 15.04 O ATOM 628 CB PHE A 381 0.291 -2.592 9.623 1.00 10.01 C ATOM 629 CG PHE A 381 0.285 -4.062 9.530 1.00 52.52 C ATOM 630 CD1 PHE A 381 1.152 -4.814 10.298 1.00 2.12 C ATOM 631 CD2 PHE A 381 -0.590 -4.698 8.709 1.00 44.22 C ATOM 632 CE1 PHE A 381 1.136 -6.171 10.237 1.00 70.23 C ATOM 633 CE2 PHE A 381 -0.621 -6.050 8.642 1.00 0.20 C ATOM 634 CZ PHE A 381 0.250 -6.793 9.409 1.00 34.13 C ATOM 0 H PHE A 381 -1.799 -2.787 11.008 1.00 75.40 H new ATOM 0 HA PHE A 381 0.999 -2.593 11.592 1.00 61.20 H new ATOM 0 HB2 PHE A 381 -0.536 -2.186 9.040 1.00 10.01 H new ATOM 0 HB3 PHE A 381 1.210 -2.203 9.185 1.00 10.01 H new ATOM 0 HD1 PHE A 381 1.851 -4.317 10.955 1.00 2.12 H new ATOM 0 HD2 PHE A 381 -1.270 -4.118 8.102 1.00 44.22 H new ATOM 0 HE1 PHE A 381 1.819 -6.752 10.839 1.00 70.23 H new ATOM 0 HE2 PHE A 381 -1.326 -6.544 7.990 1.00 0.20 H new ATOM 0 HZ PHE A 381 0.230 -7.871 9.354 1.00 34.13 H new ATOM 644 N GLY A 382 -0.742 0.077 11.253 1.00 41.23 N ATOM 645 CA GLY A 382 -0.679 1.510 11.470 1.00 11.34 C ATOM 646 C GLY A 382 0.012 1.829 12.788 1.00 11.12 C ATOM 647 O GLY A 382 0.713 2.844 12.922 1.00 64.31 O ATOM 0 H GLY A 382 -1.686 -0.300 11.166 1.00 41.23 H new ATOM 0 HA2 GLY A 382 -0.141 1.983 10.649 1.00 11.34 H new ATOM 0 HA3 GLY A 382 -1.686 1.926 11.473 1.00 11.34 H new ATOM 651 N ASN A 383 -0.163 0.932 13.747 1.00 24.54 N ATOM 652 CA ASN A 383 0.447 1.045 15.067 1.00 54.20 C ATOM 653 C ASN A 383 1.920 0.650 15.004 1.00 31.31 C ATOM 654 O ASN A 383 2.693 0.950 15.906 1.00 73.41 O ATOM 655 CB ASN A 383 -0.262 0.109 16.055 1.00 24.04 C ATOM 656 CG ASN A 383 -1.738 0.397 16.227 1.00 22.11 C ATOM 657 OD1 ASN A 383 -2.194 1.535 16.102 1.00 32.51 O ATOM 658 ND2 ASN A 383 -2.499 -0.628 16.515 1.00 20.20 N ATOM 0 H ASN A 383 -0.737 0.097 13.631 1.00 24.54 H new ATOM 0 HA ASN A 383 0.354 2.079 15.398 1.00 54.20 H new ATOM 0 HB2 ASN A 383 -0.140 -0.920 15.716 1.00 24.04 H new ATOM 0 HB3 ASN A 383 0.228 0.184 17.026 1.00 24.04 H new ATOM 0 HD21 ASN A 383 -3.503 -0.498 16.643 1.00 20.20 H new ATOM 0 HD22 ASN A 383 -2.089 -1.557 16.611 1.00 20.20 H new ATOM 665 N ARG A 384 2.304 0.003 13.914 1.00 32.21 N ATOM 666 CA ARG A 384 3.661 -0.492 13.709 1.00 34.00 C ATOM 667 C ARG A 384 4.301 0.148 12.504 1.00 23.35 C ATOM 668 O ARG A 384 5.037 -0.492 11.772 1.00 32.42 O ATOM 669 CB ARG A 384 3.663 -2.010 13.549 1.00 64.15 C ATOM 670 CG ARG A 384 3.282 -2.749 14.799 1.00 62.34 C ATOM 671 CD ARG A 384 3.400 -4.235 14.622 1.00 73.33 C ATOM 672 NE ARG A 384 3.098 -4.933 15.863 1.00 73.53 N ATOM 673 CZ ARG A 384 3.764 -5.986 16.332 1.00 73.01 C ATOM 674 NH1 ARG A 384 4.806 -6.483 15.664 1.00 73.35 N ATOM 675 NH2 ARG A 384 3.388 -6.535 17.471 1.00 2.32 N ATOM 0 H ARG A 384 1.676 -0.197 13.136 1.00 32.21 H new ATOM 0 HA ARG A 384 4.243 -0.226 14.591 1.00 34.00 H new ATOM 0 HB2 ARG A 384 2.972 -2.283 12.751 1.00 64.15 H new ATOM 0 HB3 ARG A 384 4.656 -2.332 13.235 1.00 64.15 H new ATOM 0 HG2 ARG A 384 3.922 -2.428 15.621 1.00 62.34 H new ATOM 0 HG3 ARG A 384 2.258 -2.495 15.074 1.00 62.34 H new ATOM 0 HD2 ARG A 384 2.719 -4.567 13.839 1.00 73.33 H new ATOM 0 HD3 ARG A 384 4.409 -4.487 14.295 1.00 73.33 H new ATOM 0 HE ARG A 384 2.314 -4.588 16.417 1.00 73.53 H new ATOM 0 HH11 ARG A 384 5.099 -6.056 14.785 1.00 73.35 H new ATOM 0 HH12 ARG A 384 5.310 -7.290 16.032 1.00 73.35 H new ATOM 0 HH21 ARG A 384 2.594 -6.152 17.984 1.00 2.32 H new ATOM 0 HH22 ARG A 384 3.892 -7.342 17.839 1.00 2.32 H new ATOM 689 N THR A 385 4.076 1.418 12.351 1.00 63.24 N ATOM 690 CA THR A 385 4.615 2.170 11.252 1.00 12.50 C ATOM 691 C THR A 385 6.055 2.634 11.497 1.00 33.14 C ATOM 692 O THR A 385 6.692 3.210 10.605 1.00 74.32 O ATOM 693 CB THR A 385 3.703 3.351 10.914 1.00 41.05 C ATOM 694 OG1 THR A 385 3.256 3.989 12.138 1.00 22.23 O ATOM 695 CG2 THR A 385 2.520 2.880 10.111 1.00 35.20 C ATOM 0 H THR A 385 3.506 1.970 12.992 1.00 63.24 H new ATOM 0 HA THR A 385 4.654 1.498 10.394 1.00 12.50 H new ATOM 0 HB THR A 385 4.261 4.074 10.319 1.00 41.05 H new ATOM 0 HG1 THR A 385 2.395 3.608 12.410 1.00 22.23 H new ATOM 0 HG21 THR A 385 1.878 3.729 9.876 1.00 35.20 H new ATOM 0 HG22 THR A 385 2.868 2.421 9.185 1.00 35.20 H new ATOM 0 HG23 THR A 385 1.956 2.148 10.689 1.00 35.20 H new ATOM 703 N SER A 386 6.577 2.354 12.681 1.00 22.32 N ATOM 704 CA SER A 386 7.917 2.734 13.021 1.00 73.11 C ATOM 705 C SER A 386 8.824 1.709 12.395 1.00 52.41 C ATOM 706 O SER A 386 8.417 0.568 12.251 1.00 70.31 O ATOM 707 CB SER A 386 8.065 2.752 14.556 1.00 41.35 C ATOM 708 OG SER A 386 9.367 3.102 14.962 1.00 45.13 O ATOM 0 H SER A 386 6.078 1.860 13.421 1.00 22.32 H new ATOM 0 HA SER A 386 8.169 3.730 12.656 1.00 73.11 H new ATOM 0 HB2 SER A 386 7.352 3.459 14.980 1.00 41.35 H new ATOM 0 HB3 SER A 386 7.814 1.769 14.955 1.00 41.35 H new ATOM 0 HG SER A 386 9.415 3.103 15.941 1.00 45.13 H new ATOM 714 N GLN A 387 10.027 2.087 11.999 1.00 41.23 N ATOM 715 CA GLN A 387 10.924 1.141 11.343 1.00 14.50 C ATOM 716 C GLN A 387 11.202 -0.066 12.229 1.00 64.44 C ATOM 717 O GLN A 387 11.086 -1.213 11.783 1.00 41.50 O ATOM 718 CB GLN A 387 12.214 1.809 10.870 1.00 10.33 C ATOM 719 CG GLN A 387 13.199 0.832 10.247 1.00 41.21 C ATOM 720 CD GLN A 387 14.398 1.502 9.633 1.00 2.13 C ATOM 721 OE1 GLN A 387 14.824 2.572 10.057 1.00 42.30 O ATOM 722 NE2 GLN A 387 14.958 0.871 8.638 1.00 15.15 N ATOM 0 H GLN A 387 10.405 3.027 12.116 1.00 41.23 H new ATOM 0 HA GLN A 387 10.414 0.779 10.450 1.00 14.50 H new ATOM 0 HB2 GLN A 387 11.970 2.583 10.142 1.00 10.33 H new ATOM 0 HB3 GLN A 387 12.690 2.306 11.716 1.00 10.33 H new ATOM 0 HG2 GLN A 387 13.535 0.130 11.010 1.00 41.21 H new ATOM 0 HG3 GLN A 387 12.686 0.249 9.482 1.00 41.21 H new ATOM 0 HE21 GLN A 387 14.573 -0.017 8.315 1.00 15.15 H new ATOM 0 HE22 GLN A 387 15.781 1.265 8.183 1.00 15.15 H new ATOM 731 N GLU A 388 11.517 0.196 13.485 1.00 34.43 N ATOM 732 CA GLU A 388 11.755 -0.850 14.471 1.00 0.03 C ATOM 733 C GLU A 388 10.530 -1.743 14.577 1.00 32.01 C ATOM 734 O GLU A 388 10.627 -2.961 14.673 1.00 43.31 O ATOM 735 CB GLU A 388 12.029 -0.269 15.876 1.00 35.32 C ATOM 736 CG GLU A 388 13.117 0.789 15.966 1.00 61.01 C ATOM 737 CD GLU A 388 12.677 2.157 15.485 1.00 42.43 C ATOM 738 OE1 GLU A 388 12.764 2.436 14.281 1.00 23.52 O ATOM 739 OE2 GLU A 388 12.243 2.980 16.325 1.00 43.30 O ATOM 0 H GLU A 388 11.616 1.142 13.854 1.00 34.43 H new ATOM 0 HA GLU A 388 12.629 -1.409 14.137 1.00 0.03 H new ATOM 0 HB2 GLU A 388 11.102 0.160 16.256 1.00 35.32 H new ATOM 0 HB3 GLU A 388 12.295 -1.091 16.540 1.00 35.32 H new ATOM 0 HG2 GLU A 388 13.451 0.867 17.001 1.00 61.01 H new ATOM 0 HG3 GLU A 388 13.976 0.466 15.378 1.00 61.01 H new ATOM 746 N GLN A 389 9.383 -1.113 14.537 1.00 20.11 N ATOM 747 CA GLN A 389 8.125 -1.793 14.688 1.00 72.01 C ATOM 748 C GLN A 389 7.593 -2.472 13.443 1.00 40.45 C ATOM 749 O GLN A 389 6.721 -3.338 13.528 1.00 73.20 O ATOM 750 CB GLN A 389 7.104 -0.908 15.305 1.00 0.23 C ATOM 751 CG GLN A 389 7.544 -0.469 16.684 1.00 13.13 C ATOM 752 CD GLN A 389 6.407 -0.065 17.527 1.00 62.31 C ATOM 753 OE1 GLN A 389 6.447 -0.187 18.734 1.00 33.31 O ATOM 754 NE2 GLN A 389 5.389 0.387 16.923 1.00 71.32 N ATOM 0 H GLN A 389 9.297 -0.106 14.398 1.00 20.11 H new ATOM 0 HA GLN A 389 8.343 -2.617 15.368 1.00 72.01 H new ATOM 0 HB2 GLN A 389 6.943 -0.034 14.673 1.00 0.23 H new ATOM 0 HB3 GLN A 389 6.151 -1.434 15.371 1.00 0.23 H new ATOM 0 HG2 GLN A 389 8.082 -1.284 17.169 1.00 13.13 H new ATOM 0 HG3 GLN A 389 8.241 0.364 16.593 1.00 13.13 H new ATOM 0 HE21 GLN A 389 5.396 0.474 15.907 1.00 71.32 H new ATOM 0 HE22 GLN A 389 4.563 0.664 17.453 1.00 71.32 H new ATOM 763 N SER A 390 8.103 -2.111 12.301 1.00 1.24 N ATOM 764 CA SER A 390 7.607 -2.660 11.069 1.00 51.34 C ATOM 765 C SER A 390 8.537 -3.695 10.454 1.00 73.52 C ATOM 766 O SER A 390 8.083 -4.558 9.705 1.00 2.54 O ATOM 767 CB SER A 390 7.297 -1.542 10.084 1.00 14.35 C ATOM 768 OG SER A 390 8.445 -0.747 9.838 1.00 53.15 O ATOM 0 H SER A 390 8.863 -1.439 12.196 1.00 1.24 H new ATOM 0 HA SER A 390 6.687 -3.193 11.306 1.00 51.34 H new ATOM 0 HB2 SER A 390 6.938 -1.968 9.147 1.00 14.35 H new ATOM 0 HB3 SER A 390 6.496 -0.917 10.478 1.00 14.35 H new ATOM 0 HG SER A 390 8.591 -0.140 10.594 1.00 53.15 H new ATOM 774 N ALA A 391 9.823 -3.612 10.797 1.00 13.05 N ATOM 775 CA ALA A 391 10.875 -4.478 10.244 1.00 63.11 C ATOM 776 C ALA A 391 10.468 -5.948 10.147 1.00 61.30 C ATOM 777 O ALA A 391 10.518 -6.530 9.070 1.00 33.02 O ATOM 778 CB ALA A 391 12.150 -4.337 11.059 1.00 20.23 C ATOM 0 H ALA A 391 10.172 -2.934 11.475 1.00 13.05 H new ATOM 0 HA ALA A 391 11.047 -4.141 9.222 1.00 63.11 H new ATOM 0 HB1 ALA A 391 12.922 -4.983 10.641 1.00 20.23 H new ATOM 0 HB2 ALA A 391 12.488 -3.301 11.030 1.00 20.23 H new ATOM 0 HB3 ALA A 391 11.955 -4.626 12.092 1.00 20.23 H new ATOM 784 N GLY A 392 10.030 -6.518 11.252 1.00 31.20 N ATOM 785 CA GLY A 392 9.683 -7.923 11.276 1.00 34.22 C ATOM 786 C GLY A 392 8.526 -8.287 10.380 1.00 34.01 C ATOM 787 O GLY A 392 8.606 -9.282 9.636 1.00 64.31 O ATOM 0 H GLY A 392 9.907 -6.032 12.140 1.00 31.20 H new ATOM 0 HA2 GLY A 392 10.555 -8.507 10.981 1.00 34.22 H new ATOM 0 HA3 GLY A 392 9.440 -8.209 12.299 1.00 34.22 H new ATOM 791 N TRP A 393 7.440 -7.505 10.412 1.00 3.22 N ATOM 792 CA TRP A 393 6.336 -7.840 9.552 1.00 50.01 C ATOM 793 C TRP A 393 6.698 -7.613 8.082 1.00 64.22 C ATOM 794 O TRP A 393 6.189 -8.304 7.190 1.00 61.41 O ATOM 795 CB TRP A 393 4.955 -7.260 9.973 1.00 31.13 C ATOM 796 CG TRP A 393 4.792 -5.773 9.952 1.00 14.14 C ATOM 797 CD1 TRP A 393 5.035 -4.914 10.961 1.00 43.13 C ATOM 798 CD2 TRP A 393 4.290 -4.996 8.870 1.00 2.40 C ATOM 799 NE1 TRP A 393 4.733 -3.625 10.567 1.00 44.34 N ATOM 800 CE2 TRP A 393 4.279 -3.653 9.280 1.00 23.00 C ATOM 801 CE3 TRP A 393 3.863 -5.313 7.594 1.00 74.10 C ATOM 802 CZ2 TRP A 393 3.846 -2.618 8.442 1.00 0.10 C ATOM 803 CZ3 TRP A 393 3.434 -4.297 6.761 1.00 30.52 C ATOM 804 CH2 TRP A 393 3.430 -2.969 7.183 1.00 54.54 C ATOM 0 H TRP A 393 7.317 -6.679 10.998 1.00 3.22 H new ATOM 0 HA TRP A 393 6.171 -8.910 9.683 1.00 50.01 H new ATOM 0 HB2 TRP A 393 4.197 -7.690 9.319 1.00 31.13 H new ATOM 0 HB3 TRP A 393 4.739 -7.607 10.983 1.00 31.13 H new ATOM 0 HD1 TRP A 393 5.411 -5.192 11.935 1.00 43.13 H new ATOM 0 HE1 TRP A 393 4.833 -2.789 11.143 1.00 44.34 H new ATOM 0 HE3 TRP A 393 3.865 -6.338 7.254 1.00 74.10 H new ATOM 0 HZ2 TRP A 393 3.840 -1.590 8.772 1.00 0.10 H new ATOM 0 HZ3 TRP A 393 3.095 -4.537 5.764 1.00 30.52 H new ATOM 0 HH2 TRP A 393 3.092 -2.200 6.504 1.00 54.54 H new ATOM 815 N LYS A 394 7.618 -6.661 7.837 1.00 35.14 N ATOM 816 CA LYS A 394 8.176 -6.466 6.516 1.00 23.25 C ATOM 817 C LYS A 394 8.937 -7.702 6.061 1.00 34.22 C ATOM 818 O LYS A 394 8.771 -8.147 4.932 1.00 62.43 O ATOM 819 CB LYS A 394 9.084 -5.242 6.463 1.00 25.45 C ATOM 820 CG LYS A 394 8.344 -3.955 6.669 1.00 63.05 C ATOM 821 CD LYS A 394 9.245 -2.750 6.540 1.00 65.44 C ATOM 822 CE LYS A 394 8.431 -1.498 6.686 1.00 54.41 C ATOM 823 NZ LYS A 394 9.212 -0.271 6.415 1.00 5.42 N ATOM 0 H LYS A 394 7.980 -6.023 8.546 1.00 35.14 H new ATOM 0 HA LYS A 394 7.341 -6.296 5.836 1.00 23.25 H new ATOM 0 HB2 LYS A 394 9.857 -5.336 7.226 1.00 25.45 H new ATOM 0 HB3 LYS A 394 9.590 -5.213 5.498 1.00 25.45 H new ATOM 0 HG2 LYS A 394 7.536 -3.882 5.941 1.00 63.05 H new ATOM 0 HG3 LYS A 394 7.883 -3.957 7.657 1.00 63.05 H new ATOM 0 HD2 LYS A 394 10.023 -2.781 7.303 1.00 65.44 H new ATOM 0 HD3 LYS A 394 9.746 -2.760 5.572 1.00 65.44 H new ATOM 0 HE2 LYS A 394 7.582 -1.541 6.004 1.00 54.41 H new ATOM 0 HE3 LYS A 394 8.026 -1.449 7.697 1.00 54.41 H new ATOM 0 HZ1 LYS A 394 8.601 0.562 6.530 1.00 5.42 H new ATOM 0 HZ2 LYS A 394 10.008 -0.212 7.082 1.00 5.42 H new ATOM 0 HZ3 LYS A 394 9.577 -0.300 5.442 1.00 5.42 H new ATOM 837 N ASN A 395 9.744 -8.281 6.964 1.00 52.50 N ATOM 838 CA ASN A 395 10.514 -9.501 6.640 1.00 23.34 C ATOM 839 C ASN A 395 9.615 -10.660 6.256 1.00 53.03 C ATOM 840 O ASN A 395 9.983 -11.508 5.436 1.00 0.30 O ATOM 841 CB ASN A 395 11.475 -9.920 7.771 1.00 2.31 C ATOM 842 CG ASN A 395 12.733 -9.075 7.838 1.00 33.43 C ATOM 843 OD1 ASN A 395 12.789 -8.061 8.516 1.00 51.14 O ATOM 844 ND2 ASN A 395 13.761 -9.503 7.139 1.00 35.10 N ATOM 0 H ASN A 395 9.882 -7.933 7.913 1.00 52.50 H new ATOM 0 HA ASN A 395 11.122 -9.240 5.774 1.00 23.34 H new ATOM 0 HB2 ASN A 395 10.952 -9.855 8.725 1.00 2.31 H new ATOM 0 HB3 ASN A 395 11.755 -10.964 7.631 1.00 2.31 H new ATOM 0 HD21 ASN A 395 14.639 -8.984 7.153 1.00 35.10 H new ATOM 0 HD22 ASN A 395 13.681 -10.354 6.583 1.00 35.10 H new ATOM 851 N SER A 396 8.441 -10.686 6.825 1.00 61.32 N ATOM 852 CA SER A 396 7.493 -11.730 6.547 1.00 65.04 C ATOM 853 C SER A 396 6.821 -11.523 5.164 1.00 41.13 C ATOM 854 O SER A 396 6.610 -12.480 4.405 1.00 74.02 O ATOM 855 CB SER A 396 6.470 -11.779 7.667 1.00 63.24 C ATOM 856 OG SER A 396 7.111 -11.998 8.922 1.00 34.42 O ATOM 0 H SER A 396 8.115 -9.987 7.492 1.00 61.32 H new ATOM 0 HA SER A 396 8.011 -12.688 6.501 1.00 65.04 H new ATOM 0 HB2 SER A 396 5.910 -10.844 7.697 1.00 63.24 H new ATOM 0 HB3 SER A 396 5.751 -12.576 7.476 1.00 63.24 H new ATOM 0 HG SER A 396 7.604 -11.192 9.182 1.00 34.42 H new ATOM 862 N ILE A 397 6.508 -10.278 4.835 1.00 65.20 N ATOM 863 CA ILE A 397 5.906 -9.954 3.537 1.00 73.33 C ATOM 864 C ILE A 397 6.932 -10.109 2.424 1.00 40.33 C ATOM 865 O ILE A 397 6.653 -10.755 1.414 1.00 20.40 O ATOM 866 CB ILE A 397 5.313 -8.512 3.521 1.00 34.35 C ATOM 867 CG1 ILE A 397 4.134 -8.401 4.477 1.00 21.35 C ATOM 868 CG2 ILE A 397 4.879 -8.106 2.117 1.00 15.04 C ATOM 869 CD1 ILE A 397 3.609 -7.008 4.635 1.00 31.13 C ATOM 0 H ILE A 397 6.658 -9.473 5.443 1.00 65.20 H new ATOM 0 HA ILE A 397 5.087 -10.654 3.371 1.00 73.33 H new ATOM 0 HB ILE A 397 6.100 -7.833 3.849 1.00 34.35 H new ATOM 0 HG12 ILE A 397 3.329 -9.044 4.121 1.00 21.35 H new ATOM 0 HG13 ILE A 397 4.435 -8.778 5.454 1.00 21.35 H new ATOM 0 HG21 ILE A 397 4.470 -7.096 2.140 1.00 15.04 H new ATOM 0 HG22 ILE A 397 5.739 -8.134 1.448 1.00 15.04 H new ATOM 0 HG23 ILE A 397 4.117 -8.798 1.757 1.00 15.04 H new ATOM 0 HD11 ILE A 397 2.770 -7.012 5.331 1.00 31.13 H new ATOM 0 HD12 ILE A 397 4.398 -6.363 5.021 1.00 31.13 H new ATOM 0 HD13 ILE A 397 3.275 -6.633 3.667 1.00 31.13 H new ATOM 881 N ARG A 398 8.132 -9.553 2.639 1.00 22.35 N ATOM 882 CA ARG A 398 9.218 -9.581 1.675 1.00 20.44 C ATOM 883 C ARG A 398 9.528 -11.032 1.290 1.00 34.34 C ATOM 884 O ARG A 398 9.874 -11.327 0.140 1.00 15.12 O ATOM 885 CB ARG A 398 10.429 -8.937 2.326 1.00 3.45 C ATOM 886 CG ARG A 398 11.275 -8.056 1.430 1.00 50.31 C ATOM 887 CD ARG A 398 11.922 -8.780 0.256 1.00 73.13 C ATOM 888 NE ARG A 398 12.745 -7.853 -0.544 1.00 32.30 N ATOM 889 CZ ARG A 398 13.383 -8.150 -1.690 1.00 34.43 C ATOM 890 NH1 ARG A 398 13.295 -9.360 -2.229 1.00 70.43 N ATOM 891 NH2 ARG A 398 14.100 -7.223 -2.297 1.00 61.11 N ATOM 0 H ARG A 398 8.370 -9.066 3.503 1.00 22.35 H new ATOM 0 HA ARG A 398 8.946 -9.039 0.769 1.00 20.44 H new ATOM 0 HB2 ARG A 398 10.088 -8.340 3.172 1.00 3.45 H new ATOM 0 HB3 ARG A 398 11.063 -9.727 2.729 1.00 3.45 H new ATOM 0 HG2 ARG A 398 10.652 -7.249 1.044 1.00 50.31 H new ATOM 0 HG3 ARG A 398 12.058 -7.594 2.031 1.00 50.31 H new ATOM 0 HD2 ARG A 398 12.542 -9.598 0.624 1.00 73.13 H new ATOM 0 HD3 ARG A 398 11.150 -9.223 -0.373 1.00 73.13 H new ATOM 0 HE ARG A 398 12.839 -6.899 -0.196 1.00 32.30 H new ATOM 0 HH11 ARG A 398 12.737 -10.082 -1.773 1.00 70.43 H new ATOM 0 HH12 ARG A 398 13.786 -9.568 -3.099 1.00 70.43 H new ATOM 0 HH21 ARG A 398 14.168 -6.287 -1.897 1.00 61.11 H new ATOM 0 HH22 ARG A 398 14.586 -7.442 -3.166 1.00 61.11 H new ATOM 905 N HIS A 399 9.373 -11.922 2.258 1.00 14.22 N ATOM 906 CA HIS A 399 9.568 -13.350 2.074 1.00 71.43 C ATOM 907 C HIS A 399 8.590 -13.880 1.014 1.00 34.40 C ATOM 908 O HIS A 399 8.993 -14.515 0.050 1.00 62.43 O ATOM 909 CB HIS A 399 9.346 -14.053 3.420 1.00 23.42 C ATOM 910 CG HIS A 399 9.621 -15.529 3.445 1.00 41.33 C ATOM 911 ND1 HIS A 399 8.677 -16.459 3.781 1.00 22.13 N ATOM 912 CD2 HIS A 399 10.765 -16.220 3.248 1.00 32.11 C ATOM 913 CE1 HIS A 399 9.218 -17.653 3.801 1.00 22.12 C ATOM 914 NE2 HIS A 399 10.488 -17.539 3.480 1.00 0.22 N ATOM 0 H HIS A 399 9.104 -11.667 3.208 1.00 14.22 H new ATOM 0 HA HIS A 399 10.582 -13.549 1.726 1.00 71.43 H new ATOM 0 HB2 HIS A 399 9.979 -13.573 4.167 1.00 23.42 H new ATOM 0 HB3 HIS A 399 8.312 -13.891 3.726 1.00 23.42 H new ATOM 0 HD2 HIS A 399 11.721 -15.807 2.961 1.00 32.11 H new ATOM 0 HE1 HIS A 399 8.707 -18.574 4.040 1.00 22.12 H new ATOM 0 HE2 HIS A 399 11.156 -18.307 3.415 1.00 0.22 H new ATOM 923 N ASN A 400 7.315 -13.564 1.181 1.00 1.20 N ATOM 924 CA ASN A 400 6.279 -14.015 0.244 1.00 73.12 C ATOM 925 C ASN A 400 6.377 -13.314 -1.087 1.00 3.31 C ATOM 926 O ASN A 400 6.083 -13.909 -2.126 1.00 65.24 O ATOM 927 CB ASN A 400 4.862 -13.878 0.823 1.00 52.43 C ATOM 928 CG ASN A 400 4.585 -14.877 1.913 1.00 13.34 C ATOM 929 OD1 ASN A 400 4.168 -16.001 1.646 1.00 63.02 O ATOM 930 ND2 ASN A 400 4.766 -14.477 3.130 1.00 73.11 N ATOM 0 H ASN A 400 6.966 -12.998 1.954 1.00 1.20 H new ATOM 0 HA ASN A 400 6.465 -15.077 0.081 1.00 73.12 H new ATOM 0 HB2 ASN A 400 4.730 -12.870 1.216 1.00 52.43 H new ATOM 0 HB3 ASN A 400 4.132 -14.006 0.023 1.00 52.43 H new ATOM 0 HD21 ASN A 400 4.561 -15.103 3.909 1.00 73.11 H new ATOM 0 HD22 ASN A 400 5.114 -13.535 3.311 1.00 73.11 H new ATOM 937 N LEU A 401 6.791 -12.067 -1.056 1.00 4.53 N ATOM 938 CA LEU A 401 6.978 -11.283 -2.266 1.00 32.12 C ATOM 939 C LEU A 401 8.043 -11.912 -3.149 1.00 10.35 C ATOM 940 O LEU A 401 7.876 -12.031 -4.344 1.00 31.41 O ATOM 941 CB LEU A 401 7.391 -9.846 -1.914 1.00 53.31 C ATOM 942 CG LEU A 401 6.381 -9.010 -1.120 1.00 71.35 C ATOM 943 CD1 LEU A 401 6.972 -7.683 -0.777 1.00 10.42 C ATOM 944 CD2 LEU A 401 5.129 -8.778 -1.913 1.00 72.24 C ATOM 0 H LEU A 401 7.008 -11.565 -0.195 1.00 4.53 H new ATOM 0 HA LEU A 401 6.032 -11.263 -2.807 1.00 32.12 H new ATOM 0 HB2 LEU A 401 8.319 -9.890 -1.343 1.00 53.31 H new ATOM 0 HB3 LEU A 401 7.612 -9.319 -2.842 1.00 53.31 H new ATOM 0 HG LEU A 401 6.136 -9.563 -0.213 1.00 71.35 H new ATOM 0 HD11 LEU A 401 6.247 -7.097 -0.213 1.00 10.42 H new ATOM 0 HD12 LEU A 401 7.868 -7.829 -0.174 1.00 10.42 H new ATOM 0 HD13 LEU A 401 7.233 -7.153 -1.693 1.00 10.42 H new ATOM 0 HD21 LEU A 401 4.431 -8.182 -1.325 1.00 72.24 H new ATOM 0 HD22 LEU A 401 5.374 -8.247 -2.833 1.00 72.24 H new ATOM 0 HD23 LEU A 401 4.671 -9.736 -2.159 1.00 72.24 H new ATOM 1257 N TRP A 421 7.152 -2.858 -7.616 1.00 11.34 N ATOM 1258 CA TRP A 421 6.718 -4.179 -7.394 1.00 62.12 C ATOM 1259 C TRP A 421 5.342 -4.286 -8.015 1.00 55.11 C ATOM 1260 O TRP A 421 4.406 -3.617 -7.583 1.00 14.22 O ATOM 1261 CB TRP A 421 6.637 -4.418 -5.882 1.00 1.24 C ATOM 1262 CG TRP A 421 6.824 -5.816 -5.507 1.00 4.25 C ATOM 1263 CD1 TRP A 421 7.968 -6.337 -5.038 1.00 14.34 C ATOM 1264 CD2 TRP A 421 5.869 -6.879 -5.560 1.00 24.12 C ATOM 1265 NE1 TRP A 421 7.817 -7.664 -4.793 1.00 44.23 N ATOM 1266 CE2 TRP A 421 6.520 -8.031 -5.108 1.00 55.34 C ATOM 1267 CE3 TRP A 421 4.526 -6.966 -5.945 1.00 33.53 C ATOM 1268 CZ2 TRP A 421 5.876 -9.269 -5.031 1.00 63.55 C ATOM 1269 CZ3 TRP A 421 3.890 -8.184 -5.862 1.00 43.43 C ATOM 1270 CH2 TRP A 421 4.559 -9.321 -5.409 1.00 2.10 C ATOM 0 HA TRP A 421 7.395 -4.916 -7.827 1.00 62.12 H new ATOM 0 HB2 TRP A 421 7.394 -3.811 -5.384 1.00 1.24 H new ATOM 0 HB3 TRP A 421 5.667 -4.078 -5.519 1.00 1.24 H new ATOM 0 HD1 TRP A 421 8.879 -5.780 -4.878 1.00 14.34 H new ATOM 0 HE1 TRP A 421 8.540 -8.288 -4.436 1.00 44.23 H new ATOM 0 HE3 TRP A 421 3.998 -6.093 -6.301 1.00 33.53 H new ATOM 0 HZ2 TRP A 421 6.396 -10.151 -4.687 1.00 63.55 H new ATOM 0 HZ3 TRP A 421 2.853 -8.261 -6.153 1.00 43.43 H new ATOM 0 HH2 TRP A 421 4.029 -10.261 -5.355 1.00 2.10 H new ATOM 1281 N VAL A 422 5.208 -5.110 -9.012 1.00 1.44 N ATOM 1282 CA VAL A 422 3.949 -5.251 -9.701 1.00 71.35 C ATOM 1283 C VAL A 422 3.691 -6.679 -10.054 1.00 43.43 C ATOM 1284 O VAL A 422 4.592 -7.385 -10.500 1.00 42.43 O ATOM 1285 CB VAL A 422 3.847 -4.362 -11.004 1.00 64.33 C ATOM 1286 CG1 VAL A 422 3.869 -2.886 -10.670 1.00 41.31 C ATOM 1287 CG2 VAL A 422 4.959 -4.684 -11.999 1.00 2.33 C ATOM 0 H VAL A 422 5.958 -5.701 -9.372 1.00 1.44 H new ATOM 0 HA VAL A 422 3.189 -4.897 -9.004 1.00 71.35 H new ATOM 0 HB VAL A 422 2.891 -4.601 -11.470 1.00 64.33 H new ATOM 0 HG11 VAL A 422 3.797 -2.304 -11.589 1.00 41.31 H new ATOM 0 HG12 VAL A 422 3.026 -2.647 -10.022 1.00 41.31 H new ATOM 0 HG13 VAL A 422 4.800 -2.643 -10.158 1.00 41.31 H new ATOM 0 HG21 VAL A 422 4.853 -4.052 -12.880 1.00 2.33 H new ATOM 0 HG22 VAL A 422 5.928 -4.500 -11.534 1.00 2.33 H new ATOM 0 HG23 VAL A 422 4.892 -5.731 -12.294 1.00 2.33 H new ATOM 1297 N ILE A 423 2.470 -7.097 -9.888 1.00 11.42 N ATOM 1298 CA ILE A 423 2.078 -8.426 -10.251 1.00 34.24 C ATOM 1299 C ILE A 423 1.836 -8.399 -11.718 1.00 23.43 C ATOM 1300 O ILE A 423 1.245 -7.444 -12.220 1.00 20.53 O ATOM 1301 CB ILE A 423 0.775 -8.865 -9.497 1.00 43.30 C ATOM 1302 CG1 ILE A 423 1.060 -9.042 -8.003 1.00 52.31 C ATOM 1303 CG2 ILE A 423 0.165 -10.136 -10.096 1.00 44.34 C ATOM 1304 CD1 ILE A 423 -0.160 -9.378 -7.163 1.00 73.23 C ATOM 0 H ILE A 423 1.720 -6.527 -9.498 1.00 11.42 H new ATOM 0 HA ILE A 423 2.853 -9.143 -9.980 1.00 34.24 H new ATOM 0 HB ILE A 423 0.037 -8.072 -9.621 1.00 43.30 H new ATOM 0 HG12 ILE A 423 1.800 -9.833 -7.879 1.00 52.31 H new ATOM 0 HG13 ILE A 423 1.507 -8.124 -7.620 1.00 52.31 H new ATOM 0 HG21 ILE A 423 -0.735 -10.403 -9.543 1.00 44.34 H new ATOM 0 HG22 ILE A 423 -0.090 -9.960 -11.141 1.00 44.34 H new ATOM 0 HG23 ILE A 423 0.886 -10.951 -10.031 1.00 44.34 H new ATOM 0 HD11 ILE A 423 0.135 -9.485 -6.119 1.00 73.23 H new ATOM 0 HD12 ILE A 423 -0.895 -8.578 -7.252 1.00 73.23 H new ATOM 0 HD13 ILE A 423 -0.597 -10.313 -7.514 1.00 73.23 H new