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 -75:sc= 0.451 USER MOD Set 1.2: A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 342 ASN : amide:sc= 0.0159 X(o=0.016,f=0) USER MOD Single : A 348 SER OG : rot 180:sc= 0 USER MOD Single : A 349 TYR OH : rot 30:sc= -0.0359 USER MOD Single : A 350 SER OG : rot 180:sc= 0 USER MOD Single : A 355 LYS NZ :NH3+ -173:sc= 1.15 (180deg=1.04) USER MOD Single : A 358 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 359 SER OG : rot -24:sc= 0.00691 USER MOD Single : A 360 THR OG1 : rot -52:sc= 0.446 USER MOD Single : A 365 MET CE :methyl -127:sc= -0.597 (180deg=-2.43!) USER MOD Single : A 368 ASN : amide:sc= -0.156 K(o=-0.16,f=-3!) USER MOD Single : A 371 TYR OH : rot -27:sc= -0.0959 USER MOD Single : A 372 ASN : amide:sc= -0.995 K(o=-1,f=-0.0061) USER MOD Single : A 376 SER OG : rot 180:sc= 0 USER MOD Single : A 377 ASN : amide:sc= -0.963 K(o=-0.96,f=-0.0019) USER MOD Single : A 380 TYR OH : rot 165:sc= -0.0343 USER MOD Single : A 383 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 385 THR OG1 : rot -93:sc= 0.14 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) USER MOD Single : A 389 GLN : amide:sc= -1.5! K(o=-1.5!,f=-0.032) USER MOD Single : A 395 ASN : amide:sc= 1.01 K(o=1,f=-0.065) USER MOD Single : A 396 SER OG : rot 72:sc= 0.0823 USER MOD Single : A 399 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 400 ASN : amide:sc= 0.513 K(o=0.51,f=-0.026) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 342 -1.833 -15.137 11.290 1.00 61.53 N ATOM 2 CA ASN A 342 -1.306 -13.959 10.587 1.00 43.43 C ATOM 3 C ASN A 342 -1.487 -12.757 11.481 1.00 3.22 C ATOM 4 O ASN A 342 -2.458 -12.701 12.233 1.00 74.33 O ATOM 5 CB ASN A 342 -2.066 -13.717 9.280 1.00 14.55 C ATOM 6 CG ASN A 342 -2.076 -14.910 8.360 1.00 23.13 C ATOM 7 OD1 ASN A 342 -1.186 -15.082 7.526 1.00 64.11 O ATOM 8 ND2 ASN A 342 -3.094 -15.738 8.484 1.00 53.23 N ATOM 0 HA ASN A 342 -0.254 -14.124 10.353 1.00 43.43 H new ATOM 0 HB2 ASN A 342 -3.094 -13.439 9.513 1.00 14.55 H new ATOM 0 HB3 ASN A 342 -1.617 -12.871 8.760 1.00 14.55 H new ATOM 0 HD21 ASN A 342 -3.164 -16.555 7.877 1.00 53.23 H new ATOM 0 HD22 ASN A 342 -3.812 -15.562 9.187 1.00 53.23 H new ATOM 17 N PRO A 343 -0.578 -11.756 11.417 1.00 54.24 N ATOM 18 CA PRO A 343 -0.645 -10.571 12.294 1.00 62.25 C ATOM 19 C PRO A 343 -1.920 -9.735 12.088 1.00 42.10 C ATOM 20 O PRO A 343 -2.447 -9.156 13.025 1.00 12.43 O ATOM 21 CB PRO A 343 0.605 -9.760 11.901 1.00 52.43 C ATOM 22 CG PRO A 343 0.948 -10.234 10.535 1.00 62.44 C ATOM 23 CD PRO A 343 0.597 -11.694 10.513 1.00 70.11 C ATOM 0 HA PRO A 343 -0.675 -10.856 13.346 1.00 62.25 H new ATOM 0 HB2 PRO A 343 0.401 -8.689 11.909 1.00 52.43 H new ATOM 0 HB3 PRO A 343 1.425 -9.934 12.598 1.00 52.43 H new ATOM 0 HG2 PRO A 343 0.388 -9.685 9.778 1.00 62.44 H new ATOM 0 HG3 PRO A 343 2.006 -10.082 10.322 1.00 62.44 H new ATOM 0 HD2 PRO A 343 0.354 -12.038 9.508 1.00 70.11 H new ATOM 0 HD3 PRO A 343 1.418 -12.314 10.872 1.00 70.11 H new ATOM 31 N TRP A 344 -2.402 -9.692 10.867 1.00 12.55 N ATOM 32 CA TRP A 344 -3.587 -8.918 10.522 1.00 12.13 C ATOM 33 C TRP A 344 -4.899 -9.694 10.766 1.00 61.13 C ATOM 34 O TRP A 344 -5.920 -9.102 11.121 1.00 31.32 O ATOM 35 CB TRP A 344 -3.494 -8.463 9.057 1.00 35.44 C ATOM 36 CG TRP A 344 -3.171 -9.576 8.096 1.00 2.01 C ATOM 37 CD1 TRP A 344 -3.983 -10.600 7.721 1.00 75.14 C ATOM 38 CD2 TRP A 344 -1.958 -9.755 7.355 1.00 15.54 C ATOM 39 NE1 TRP A 344 -3.337 -11.412 6.860 1.00 20.11 N ATOM 40 CE2 TRP A 344 -2.109 -10.913 6.601 1.00 61.21 C ATOM 41 CE3 TRP A 344 -0.762 -9.059 7.261 1.00 55.23 C ATOM 42 CZ2 TRP A 344 -1.123 -11.383 5.775 1.00 25.24 C ATOM 43 CZ3 TRP A 344 0.213 -9.530 6.428 1.00 11.10 C ATOM 44 CH2 TRP A 344 0.023 -10.680 5.700 1.00 33.13 C ATOM 0 H TRP A 344 -1.988 -10.191 10.080 1.00 12.55 H new ATOM 0 HA TRP A 344 -3.615 -8.049 11.179 1.00 12.13 H new ATOM 0 HB2 TRP A 344 -4.441 -8.008 8.767 1.00 35.44 H new ATOM 0 HB3 TRP A 344 -2.730 -7.690 8.974 1.00 35.44 H new ATOM 0 HD1 TRP A 344 -4.998 -10.742 8.063 1.00 75.14 H new ATOM 0 HE1 TRP A 344 -3.718 -12.272 6.465 1.00 20.11 H new ATOM 0 HE3 TRP A 344 -0.604 -8.159 7.837 1.00 55.23 H new ATOM 0 HZ2 TRP A 344 -1.260 -12.288 5.202 1.00 25.24 H new ATOM 0 HZ3 TRP A 344 1.145 -8.992 6.340 1.00 11.10 H new ATOM 0 HH2 TRP A 344 0.813 -11.029 5.051 1.00 33.13 H new ATOM 55 N GLY A 345 -4.872 -11.003 10.580 1.00 25.14 N ATOM 56 CA GLY A 345 -6.077 -11.777 10.722 1.00 13.12 C ATOM 57 C GLY A 345 -5.995 -13.135 10.053 1.00 1.10 C ATOM 58 O GLY A 345 -5.023 -13.870 10.247 1.00 31.21 O ATOM 0 H GLY A 345 -4.039 -11.538 10.334 1.00 25.14 H new ATOM 0 HA2 GLY A 345 -6.291 -11.913 11.782 1.00 13.12 H new ATOM 0 HA3 GLY A 345 -6.912 -11.219 10.297 1.00 13.12 H new ATOM 62 N ALA A 346 -6.988 -13.443 9.228 1.00 30.52 N ATOM 63 CA ALA A 346 -7.121 -14.764 8.615 1.00 32.54 C ATOM 64 C ALA A 346 -6.537 -14.852 7.201 1.00 24.52 C ATOM 65 O ALA A 346 -6.029 -15.914 6.809 1.00 14.01 O ATOM 66 CB ALA A 346 -8.580 -15.195 8.604 1.00 52.21 C ATOM 0 H ALA A 346 -7.724 -12.788 8.964 1.00 30.52 H new ATOM 0 HA ALA A 346 -6.533 -15.443 9.232 1.00 32.54 H new ATOM 0 HB1 ALA A 346 -8.665 -16.180 8.145 1.00 52.21 H new ATOM 0 HB2 ALA A 346 -8.954 -15.238 9.627 1.00 52.21 H new ATOM 0 HB3 ALA A 346 -9.167 -14.476 8.032 1.00 52.21 H new ATOM 72 N GLU A 347 -6.607 -13.760 6.429 1.00 61.12 N ATOM 73 CA GLU A 347 -6.080 -13.777 5.054 1.00 21.54 C ATOM 74 C GLU A 347 -4.576 -14.004 5.023 1.00 3.21 C ATOM 75 O GLU A 347 -3.895 -13.861 6.029 1.00 34.05 O ATOM 76 CB GLU A 347 -6.452 -12.520 4.258 1.00 21.01 C ATOM 77 CG GLU A 347 -7.935 -12.388 3.955 1.00 64.55 C ATOM 78 CD GLU A 347 -8.239 -11.216 3.048 1.00 12.23 C ATOM 79 OE1 GLU A 347 -8.059 -11.344 1.813 1.00 12.44 O ATOM 80 OE2 GLU A 347 -8.659 -10.157 3.545 1.00 73.21 O ATOM 0 H GLU A 347 -7.013 -12.871 6.722 1.00 61.12 H new ATOM 0 HA GLU A 347 -6.562 -14.623 4.565 1.00 21.54 H new ATOM 0 HB2 GLU A 347 -6.127 -11.642 4.816 1.00 21.01 H new ATOM 0 HB3 GLU A 347 -5.900 -12.523 3.318 1.00 21.01 H new ATOM 0 HG2 GLU A 347 -8.290 -13.307 3.488 1.00 64.55 H new ATOM 0 HG3 GLU A 347 -8.485 -12.272 4.889 1.00 64.55 H new ATOM 87 N SER A 348 -4.074 -14.351 3.882 1.00 2.31 N ATOM 88 CA SER A 348 -2.679 -14.622 3.724 1.00 0.30 C ATOM 89 C SER A 348 -1.985 -13.392 3.212 1.00 41.32 C ATOM 90 O SER A 348 -2.653 -12.434 2.785 1.00 23.21 O ATOM 91 CB SER A 348 -2.492 -15.779 2.753 1.00 42.23 C ATOM 92 OG SER A 348 -3.127 -16.963 3.243 1.00 54.32 O ATOM 0 H SER A 348 -4.622 -14.455 3.028 1.00 2.31 H new ATOM 0 HA SER A 348 -2.246 -14.897 4.686 1.00 0.30 H new ATOM 0 HB2 SER A 348 -2.908 -15.514 1.781 1.00 42.23 H new ATOM 0 HB3 SER A 348 -1.429 -15.966 2.605 1.00 42.23 H new ATOM 0 HG SER A 348 -2.996 -17.693 2.603 1.00 54.32 H new ATOM 98 N TYR A 349 -0.656 -13.406 3.243 1.00 25.32 N ATOM 99 CA TYR A 349 0.133 -12.290 2.770 1.00 61.22 C ATOM 100 C TYR A 349 -0.212 -12.017 1.357 1.00 41.14 C ATOM 101 O TYR A 349 -0.713 -10.971 1.055 1.00 72.14 O ATOM 102 CB TYR A 349 1.639 -12.562 2.884 1.00 0.44 C ATOM 103 CG TYR A 349 2.151 -12.778 4.280 1.00 53.45 C ATOM 104 CD1 TYR A 349 1.918 -13.970 4.955 1.00 52.51 C ATOM 105 CD2 TYR A 349 2.882 -11.794 4.922 1.00 52.32 C ATOM 106 CE1 TYR A 349 2.395 -14.170 6.224 1.00 71.33 C ATOM 107 CE2 TYR A 349 3.361 -11.986 6.199 1.00 42.14 C ATOM 108 CZ TYR A 349 3.113 -13.175 6.846 1.00 63.03 C ATOM 109 OH TYR A 349 3.598 -13.385 8.118 1.00 61.33 O ATOM 0 H TYR A 349 -0.105 -14.189 3.595 1.00 25.32 H new ATOM 0 HA TYR A 349 -0.096 -11.427 3.395 1.00 61.22 H new ATOM 0 HB2 TYR A 349 1.878 -13.442 2.287 1.00 0.44 H new ATOM 0 HB3 TYR A 349 2.177 -11.722 2.444 1.00 0.44 H new ATOM 0 HD1 TYR A 349 1.351 -14.752 4.471 1.00 52.51 H new ATOM 0 HD2 TYR A 349 3.080 -10.862 4.414 1.00 52.32 H new ATOM 0 HE1 TYR A 349 2.208 -15.104 6.733 1.00 71.33 H new ATOM 0 HE2 TYR A 349 3.928 -11.208 6.689 1.00 42.14 H new ATOM 0 HH TYR A 349 3.782 -14.339 8.244 1.00 61.33 H new ATOM 119 N SER A 350 0.012 -12.995 0.507 1.00 72.32 N ATOM 120 CA SER A 350 -0.267 -12.870 -0.917 1.00 2.45 C ATOM 121 C SER A 350 -1.708 -12.387 -1.201 1.00 35.22 C ATOM 122 O SER A 350 -1.929 -11.639 -2.154 1.00 53.02 O ATOM 123 CB SER A 350 -0.019 -14.194 -1.600 1.00 65.22 C ATOM 124 OG SER A 350 1.308 -14.645 -1.357 1.00 54.41 O ATOM 0 H SER A 350 0.393 -13.902 0.778 1.00 72.32 H new ATOM 0 HA SER A 350 0.406 -12.111 -1.316 1.00 2.45 H new ATOM 0 HB2 SER A 350 -0.732 -14.935 -1.238 1.00 65.22 H new ATOM 0 HB3 SER A 350 -0.183 -14.092 -2.673 1.00 65.22 H new ATOM 0 HG SER A 350 1.449 -15.505 -1.806 1.00 54.41 H new ATOM 130 N ASP A 351 -2.668 -12.783 -0.354 1.00 15.10 N ATOM 131 CA ASP A 351 -4.054 -12.322 -0.514 1.00 20.12 C ATOM 132 C ASP A 351 -4.162 -10.826 -0.285 1.00 31.24 C ATOM 133 O ASP A 351 -4.775 -10.107 -1.082 1.00 32.40 O ATOM 134 CB ASP A 351 -5.041 -13.084 0.394 1.00 41.22 C ATOM 135 CG ASP A 351 -5.253 -14.516 -0.021 1.00 44.14 C ATOM 136 OD1 ASP A 351 -6.123 -14.783 -0.881 1.00 75.52 O ATOM 137 OD2 ASP A 351 -4.572 -15.393 0.504 1.00 45.01 O ATOM 0 H ASP A 351 -2.515 -13.410 0.436 1.00 15.10 H new ATOM 0 HA ASP A 351 -4.336 -12.538 -1.544 1.00 20.12 H new ATOM 0 HB2 ASP A 351 -4.671 -13.062 1.419 1.00 41.22 H new ATOM 0 HB3 ASP A 351 -6.000 -12.567 0.390 1.00 41.22 H new ATOM 142 N LEU A 352 -3.565 -10.351 0.784 1.00 24.34 N ATOM 143 CA LEU A 352 -3.581 -8.942 1.075 1.00 65.13 C ATOM 144 C LEU A 352 -2.607 -8.145 0.206 1.00 24.25 C ATOM 145 O LEU A 352 -2.885 -7.003 -0.134 1.00 74.30 O ATOM 146 CB LEU A 352 -3.328 -8.670 2.531 1.00 32.41 C ATOM 147 CG LEU A 352 -4.373 -9.138 3.533 1.00 55.13 C ATOM 148 CD1 LEU A 352 -4.023 -8.609 4.881 1.00 32.10 C ATOM 149 CD2 LEU A 352 -5.755 -8.682 3.135 1.00 11.23 C ATOM 0 H LEU A 352 -3.063 -10.922 1.464 1.00 24.34 H new ATOM 0 HA LEU A 352 -4.587 -8.601 0.830 1.00 65.13 H new ATOM 0 HB2 LEU A 352 -2.378 -9.133 2.798 1.00 32.41 H new ATOM 0 HB3 LEU A 352 -3.204 -7.594 2.654 1.00 32.41 H new ATOM 0 HG LEU A 352 -4.379 -10.228 3.553 1.00 55.13 H new ATOM 0 HD11 LEU A 352 -4.767 -8.940 5.606 1.00 32.10 H new ATOM 0 HD12 LEU A 352 -3.041 -8.980 5.174 1.00 32.10 H new ATOM 0 HD13 LEU A 352 -4.005 -7.520 4.851 1.00 32.10 H new ATOM 0 HD21 LEU A 352 -6.479 -9.032 3.870 1.00 11.23 H new ATOM 0 HD22 LEU A 352 -5.780 -7.593 3.090 1.00 11.23 H new ATOM 0 HD23 LEU A 352 -6.005 -9.091 2.156 1.00 11.23 H new ATOM 161 N ILE A 353 -1.472 -8.744 -0.143 1.00 42.21 N ATOM 162 CA ILE A 353 -0.490 -8.094 -1.020 1.00 24.04 C ATOM 163 C ILE A 353 -1.154 -7.779 -2.348 1.00 2.22 C ATOM 164 O ILE A 353 -0.995 -6.689 -2.889 1.00 45.13 O ATOM 165 CB ILE A 353 0.772 -8.986 -1.267 1.00 32.44 C ATOM 166 CG1 ILE A 353 1.479 -9.296 0.059 1.00 72.32 C ATOM 167 CG2 ILE A 353 1.738 -8.287 -2.221 1.00 63.11 C ATOM 168 CD1 ILE A 353 2.581 -10.323 -0.052 1.00 32.42 C ATOM 0 H ILE A 353 -1.205 -9.679 0.166 1.00 42.21 H new ATOM 0 HA ILE A 353 -0.151 -7.183 -0.527 1.00 24.04 H new ATOM 0 HB ILE A 353 0.446 -9.923 -1.718 1.00 32.44 H new ATOM 0 HG12 ILE A 353 1.897 -8.372 0.459 1.00 72.32 H new ATOM 0 HG13 ILE A 353 0.740 -9.649 0.778 1.00 72.32 H new ATOM 0 HG21 ILE A 353 2.611 -8.920 -2.383 1.00 63.11 H new ATOM 0 HG22 ILE A 353 1.240 -8.104 -3.173 1.00 63.11 H new ATOM 0 HG23 ILE A 353 2.053 -7.338 -1.788 1.00 63.11 H new ATOM 0 HD11 ILE A 353 3.029 -10.484 0.929 1.00 32.42 H new ATOM 0 HD12 ILE A 353 2.168 -11.262 -0.421 1.00 32.42 H new ATOM 0 HD13 ILE A 353 3.343 -9.965 -0.744 1.00 32.42 H new ATOM 180 N ALA A 354 -1.931 -8.735 -2.849 1.00 45.42 N ATOM 181 CA ALA A 354 -2.668 -8.529 -4.075 1.00 74.21 C ATOM 182 C ALA A 354 -3.675 -7.396 -3.916 1.00 74.44 C ATOM 183 O ALA A 354 -3.885 -6.652 -4.840 1.00 45.31 O ATOM 184 CB ALA A 354 -3.345 -9.799 -4.551 1.00 63.33 C ATOM 0 H ALA A 354 -2.061 -9.652 -2.422 1.00 45.42 H new ATOM 0 HA ALA A 354 -1.949 -8.244 -4.843 1.00 74.21 H new ATOM 0 HB1 ALA A 354 -3.887 -9.598 -5.475 1.00 63.33 H new ATOM 0 HB2 ALA A 354 -2.593 -10.567 -4.731 1.00 63.33 H new ATOM 0 HB3 ALA A 354 -4.043 -10.147 -3.789 1.00 63.33 H new ATOM 190 N LYS A 355 -4.286 -7.266 -2.717 1.00 1.22 N ATOM 191 CA LYS A 355 -5.210 -6.149 -2.449 1.00 72.42 C ATOM 192 C LYS A 355 -4.474 -4.824 -2.472 1.00 24.11 C ATOM 193 O LYS A 355 -4.991 -3.832 -2.992 1.00 41.45 O ATOM 194 CB LYS A 355 -5.959 -6.276 -1.111 1.00 24.43 C ATOM 195 CG LYS A 355 -6.964 -7.358 -1.015 1.00 50.43 C ATOM 196 CD LYS A 355 -7.642 -7.267 0.325 1.00 14.43 C ATOM 197 CE LYS A 355 -8.931 -8.022 0.349 1.00 11.31 C ATOM 198 NZ LYS A 355 -8.788 -9.480 0.113 1.00 14.24 N ATOM 0 H LYS A 355 -4.158 -7.909 -1.935 1.00 1.22 H new ATOM 0 HA LYS A 355 -5.952 -6.189 -3.247 1.00 72.42 H new ATOM 0 HB2 LYS A 355 -5.223 -6.424 -0.321 1.00 24.43 H new ATOM 0 HB3 LYS A 355 -6.458 -5.328 -0.909 1.00 24.43 H new ATOM 0 HG2 LYS A 355 -7.697 -7.266 -1.817 1.00 50.43 H new ATOM 0 HG3 LYS A 355 -6.485 -8.330 -1.131 1.00 50.43 H new ATOM 0 HD2 LYS A 355 -6.978 -7.658 1.095 1.00 14.43 H new ATOM 0 HD3 LYS A 355 -7.829 -6.221 0.567 1.00 14.43 H new ATOM 0 HE2 LYS A 355 -9.411 -7.867 1.315 1.00 11.31 H new ATOM 0 HE3 LYS A 355 -9.596 -7.607 -0.408 1.00 11.31 H new ATOM 0 HZ1 LYS A 355 -9.730 -9.912 0.027 1.00 14.24 H new ATOM 0 HZ2 LYS A 355 -8.253 -9.639 -0.765 1.00 14.24 H new ATOM 0 HZ3 LYS A 355 -8.280 -9.913 0.911 1.00 14.24 H new ATOM 212 N ALA A 356 -3.270 -4.809 -1.907 1.00 3.05 N ATOM 213 CA ALA A 356 -2.444 -3.609 -1.884 1.00 73.41 C ATOM 214 C ALA A 356 -2.164 -3.161 -3.290 1.00 11.43 C ATOM 215 O ALA A 356 -2.460 -2.022 -3.664 1.00 23.14 O ATOM 216 CB ALA A 356 -1.140 -3.870 -1.137 1.00 63.23 C ATOM 0 H ALA A 356 -2.844 -5.620 -1.457 1.00 3.05 H new ATOM 0 HA ALA A 356 -2.982 -2.819 -1.360 1.00 73.41 H new ATOM 0 HB1 ALA A 356 -0.537 -2.962 -1.130 1.00 63.23 H new ATOM 0 HB2 ALA A 356 -1.361 -4.166 -0.112 1.00 63.23 H new ATOM 0 HB3 ALA A 356 -0.589 -4.668 -1.634 1.00 63.23 H new ATOM 222 N LEU A 357 -1.658 -4.085 -4.085 1.00 12.12 N ATOM 223 CA LEU A 357 -1.377 -3.841 -5.491 1.00 61.13 C ATOM 224 C LEU A 357 -2.632 -3.416 -6.223 1.00 34.00 C ATOM 225 O LEU A 357 -2.600 -2.509 -7.027 1.00 72.32 O ATOM 226 CB LEU A 357 -0.835 -5.111 -6.167 1.00 65.52 C ATOM 227 CG LEU A 357 0.663 -5.347 -6.142 1.00 34.54 C ATOM 228 CD1 LEU A 357 1.347 -4.302 -6.997 1.00 65.11 C ATOM 229 CD2 LEU A 357 1.205 -5.314 -4.730 1.00 41.20 C ATOM 0 H LEU A 357 -1.429 -5.029 -3.775 1.00 12.12 H new ATOM 0 HA LEU A 357 -0.632 -3.047 -5.539 1.00 61.13 H new ATOM 0 HB2 LEU A 357 -1.316 -5.970 -5.699 1.00 65.52 H new ATOM 0 HB3 LEU A 357 -1.153 -5.096 -7.209 1.00 65.52 H new ATOM 0 HG LEU A 357 0.866 -6.339 -6.545 1.00 34.54 H new ATOM 0 HD11 LEU A 357 2.424 -4.468 -6.982 1.00 65.11 H new ATOM 0 HD12 LEU A 357 0.983 -4.375 -8.022 1.00 65.11 H new ATOM 0 HD13 LEU A 357 1.127 -3.309 -6.604 1.00 65.11 H new ATOM 0 HD21 LEU A 357 2.281 -5.487 -4.749 1.00 41.20 H new ATOM 0 HD22 LEU A 357 1.002 -4.340 -4.285 1.00 41.20 H new ATOM 0 HD23 LEU A 357 0.723 -6.092 -4.137 1.00 41.20 H new ATOM 241 N LYS A 358 -3.750 -4.067 -5.892 1.00 41.34 N ATOM 242 CA LYS A 358 -4.996 -3.890 -6.508 1.00 13.20 C ATOM 243 C LYS A 358 -5.516 -2.453 -6.364 1.00 32.54 C ATOM 244 O LYS A 358 -6.311 -1.983 -7.184 1.00 51.13 O ATOM 245 CB LYS A 358 -5.933 -4.899 -5.889 1.00 4.02 C ATOM 246 CG LYS A 358 -7.302 -4.818 -6.339 1.00 2.14 C ATOM 247 CD LYS A 358 -8.158 -5.856 -5.646 1.00 54.44 C ATOM 248 CE LYS A 358 -9.579 -5.819 -6.146 1.00 44.44 C ATOM 249 NZ LYS A 358 -10.437 -6.788 -5.437 1.00 41.41 N ATOM 0 H LYS A 358 -3.774 -4.760 -5.144 1.00 41.34 H new ATOM 0 HA LYS A 358 -4.916 -4.051 -7.583 1.00 13.20 H new ATOM 0 HB2 LYS A 358 -5.556 -5.900 -6.100 1.00 4.02 H new ATOM 0 HB3 LYS A 358 -5.914 -4.773 -4.806 1.00 4.02 H new ATOM 0 HG2 LYS A 358 -7.697 -3.822 -6.139 1.00 2.14 H new ATOM 0 HG3 LYS A 358 -7.344 -4.967 -7.418 1.00 2.14 H new ATOM 0 HD2 LYS A 358 -7.737 -6.848 -5.814 1.00 54.44 H new ATOM 0 HD3 LYS A 358 -8.145 -5.682 -4.570 1.00 54.44 H new ATOM 0 HE2 LYS A 358 -9.983 -4.815 -6.018 1.00 44.44 H new ATOM 0 HE3 LYS A 358 -9.594 -6.035 -7.214 1.00 44.44 H new ATOM 0 HZ1 LYS A 358 -11.406 -6.731 -5.810 1.00 41.41 H new ATOM 0 HZ2 LYS A 358 -10.067 -7.749 -5.580 1.00 41.41 H new ATOM 0 HZ3 LYS A 358 -10.444 -6.567 -4.421 1.00 41.41 H new ATOM 263 N SER A 359 -5.026 -1.753 -5.354 1.00 64.22 N ATOM 264 CA SER A 359 -5.416 -0.384 -5.100 1.00 53.41 C ATOM 265 C SER A 359 -4.813 0.562 -6.191 1.00 72.33 C ATOM 266 O SER A 359 -5.186 1.737 -6.298 1.00 64.43 O ATOM 267 CB SER A 359 -4.957 0.012 -3.673 1.00 14.42 C ATOM 268 OG SER A 359 -5.420 1.302 -3.285 1.00 60.04 O ATOM 0 H SER A 359 -4.346 -2.122 -4.689 1.00 64.22 H new ATOM 0 HA SER A 359 -6.500 -0.285 -5.154 1.00 53.41 H new ATOM 0 HB2 SER A 359 -5.319 -0.729 -2.960 1.00 14.42 H new ATOM 0 HB3 SER A 359 -3.868 -0.008 -3.627 1.00 14.42 H new ATOM 0 HG SER A 359 -5.595 1.841 -4.085 1.00 60.04 H new ATOM 274 N THR A 360 -3.896 0.033 -6.991 1.00 60.42 N ATOM 275 CA THR A 360 -3.269 0.786 -8.061 1.00 61.03 C ATOM 276 C THR A 360 -2.783 -0.216 -9.132 1.00 41.43 C ATOM 277 O THR A 360 -1.787 0.006 -9.833 1.00 73.32 O ATOM 278 CB THR A 360 -2.071 1.604 -7.494 1.00 24.54 C ATOM 279 OG1 THR A 360 -1.541 2.454 -8.513 1.00 62.44 O ATOM 280 CG2 THR A 360 -0.969 0.677 -6.992 1.00 3.21 C ATOM 0 H THR A 360 -3.569 -0.930 -6.914 1.00 60.42 H new ATOM 0 HA THR A 360 -3.978 1.485 -8.505 1.00 61.03 H new ATOM 0 HB THR A 360 -2.433 2.204 -6.659 1.00 24.54 H new ATOM 0 HG1 THR A 360 -1.351 1.924 -9.315 1.00 62.44 H new ATOM 0 HG21 THR A 360 -0.143 1.272 -6.601 1.00 3.21 H new ATOM 0 HG22 THR A 360 -1.363 0.039 -6.201 1.00 3.21 H new ATOM 0 HG23 THR A 360 -0.612 0.057 -7.815 1.00 3.21 H new ATOM 288 N PHE A 361 -3.579 -1.251 -9.318 1.00 74.34 N ATOM 289 CA PHE A 361 -3.235 -2.427 -10.131 1.00 63.53 C ATOM 290 C PHE A 361 -3.085 -2.061 -11.596 1.00 74.25 C ATOM 291 O PHE A 361 -2.514 -2.809 -12.380 1.00 3.52 O ATOM 292 CB PHE A 361 -4.348 -3.445 -9.980 1.00 51.32 C ATOM 293 CG PHE A 361 -3.918 -4.886 -10.092 1.00 50.22 C ATOM 294 CD1 PHE A 361 -3.193 -5.478 -9.069 1.00 63.44 C ATOM 295 CD2 PHE A 361 -4.248 -5.649 -11.193 1.00 12.43 C ATOM 296 CE1 PHE A 361 -2.808 -6.795 -9.141 1.00 11.13 C ATOM 297 CE2 PHE A 361 -3.867 -6.977 -11.268 1.00 34.42 C ATOM 298 CZ PHE A 361 -3.148 -7.550 -10.241 1.00 71.54 C ATOM 0 H PHE A 361 -4.509 -1.310 -8.902 1.00 74.34 H new ATOM 0 HA PHE A 361 -2.283 -2.832 -9.788 1.00 63.53 H new ATOM 0 HB2 PHE A 361 -4.824 -3.299 -9.010 1.00 51.32 H new ATOM 0 HB3 PHE A 361 -5.105 -3.248 -10.739 1.00 51.32 H new ATOM 0 HD1 PHE A 361 -2.926 -4.894 -8.201 1.00 63.44 H new ATOM 0 HD2 PHE A 361 -4.808 -5.206 -12.003 1.00 12.43 H new ATOM 0 HE1 PHE A 361 -2.240 -7.237 -8.336 1.00 11.13 H new ATOM 0 HE2 PHE A 361 -4.134 -7.566 -12.133 1.00 34.42 H new ATOM 0 HZ PHE A 361 -2.853 -8.587 -10.299 1.00 71.54 H new ATOM 308 N ASP A 362 -3.599 -0.910 -11.950 1.00 71.23 N ATOM 309 CA ASP A 362 -3.554 -0.438 -13.325 1.00 64.41 C ATOM 310 C ASP A 362 -2.268 0.288 -13.602 1.00 60.33 C ATOM 311 O ASP A 362 -1.952 0.609 -14.755 1.00 65.35 O ATOM 312 CB ASP A 362 -4.753 0.453 -13.664 1.00 32.01 C ATOM 313 CG ASP A 362 -6.064 -0.285 -13.608 1.00 22.23 C ATOM 314 OD1 ASP A 362 -6.396 -0.998 -14.582 1.00 13.25 O ATOM 315 OD2 ASP A 362 -6.774 -0.179 -12.582 1.00 73.42 O ATOM 0 H ASP A 362 -4.060 -0.271 -11.302 1.00 71.23 H new ATOM 0 HA ASP A 362 -3.604 -1.318 -13.966 1.00 64.41 H new ATOM 0 HB2 ASP A 362 -4.784 1.292 -12.969 1.00 32.01 H new ATOM 0 HB3 ASP A 362 -4.619 0.870 -14.662 1.00 32.01 H new ATOM 320 N GLY A 363 -1.525 0.545 -12.556 1.00 23.32 N ATOM 321 CA GLY A 363 -0.281 1.198 -12.680 1.00 22.23 C ATOM 322 C GLY A 363 0.808 0.339 -12.118 1.00 2.31 C ATOM 323 O GLY A 363 1.151 -0.688 -12.695 1.00 74.52 O ATOM 0 H GLY A 363 -1.781 0.300 -11.599 1.00 23.32 H new ATOM 0 HA2 GLY A 363 -0.079 1.416 -13.729 1.00 22.23 H new ATOM 0 HA3 GLY A 363 -0.309 2.153 -12.156 1.00 22.23 H new ATOM 327 N ARG A 364 1.340 0.732 -11.000 1.00 51.13 N ATOM 328 CA ARG A 364 2.416 0.011 -10.359 1.00 71.02 C ATOM 329 C ARG A 364 2.448 0.404 -8.903 1.00 0.43 C ATOM 330 O ARG A 364 1.818 1.386 -8.524 1.00 11.25 O ATOM 331 CB ARG A 364 3.716 0.396 -11.045 1.00 32.55 C ATOM 332 CG ARG A 364 3.995 1.880 -10.964 1.00 11.52 C ATOM 333 CD ARG A 364 5.089 2.300 -11.897 1.00 3.32 C ATOM 334 NE ARG A 364 4.728 2.077 -13.303 1.00 33.42 N ATOM 335 CZ ARG A 364 5.561 2.196 -14.344 1.00 51.13 C ATOM 336 NH1 ARG A 364 6.841 2.480 -14.154 1.00 63.41 N ATOM 337 NH2 ARG A 364 5.105 2.019 -15.576 1.00 65.23 N ATOM 0 H ARG A 364 1.042 1.568 -10.497 1.00 51.13 H new ATOM 0 HA ARG A 364 2.275 -1.067 -10.434 1.00 71.02 H new ATOM 0 HB2 ARG A 364 4.540 -0.151 -10.588 1.00 32.55 H new ATOM 0 HB3 ARG A 364 3.674 0.094 -12.091 1.00 32.55 H new ATOM 0 HG2 ARG A 364 3.086 2.433 -11.200 1.00 11.52 H new ATOM 0 HG3 ARG A 364 4.270 2.141 -9.942 1.00 11.52 H new ATOM 0 HD2 ARG A 364 5.312 3.356 -11.743 1.00 3.32 H new ATOM 0 HD3 ARG A 364 5.998 1.745 -11.663 1.00 3.32 H new ATOM 0 HE ARG A 364 3.764 1.810 -13.502 1.00 33.42 H new ATOM 0 HH11 ARG A 364 7.200 2.610 -13.208 1.00 63.41 H new ATOM 0 HH12 ARG A 364 7.468 2.569 -14.954 1.00 63.41 H new ATOM 0 HH21 ARG A 364 4.122 1.793 -15.728 1.00 65.23 H new ATOM 0 HH22 ARG A 364 5.737 2.109 -16.372 1.00 65.23 H new ATOM 351 N MET A 365 3.155 -0.330 -8.092 1.00 1.14 N ATOM 352 CA MET A 365 3.236 -0.001 -6.693 1.00 40.13 C ATOM 353 C MET A 365 4.659 -0.222 -6.266 1.00 72.22 C ATOM 354 O MET A 365 5.366 -0.983 -6.888 1.00 31.54 O ATOM 355 CB MET A 365 2.301 -0.922 -5.879 1.00 71.23 C ATOM 356 CG MET A 365 1.849 -0.352 -4.563 1.00 63.30 C ATOM 357 SD MET A 365 0.600 -1.334 -3.763 1.00 15.41 S ATOM 358 CE MET A 365 0.169 -0.266 -2.396 1.00 71.13 C ATOM 0 H MET A 365 3.682 -1.157 -8.371 1.00 1.14 H new ATOM 0 HA MET A 365 2.932 1.032 -6.522 1.00 40.13 H new ATOM 0 HB2 MET A 365 1.422 -1.150 -6.482 1.00 71.23 H new ATOM 0 HB3 MET A 365 2.814 -1.866 -5.694 1.00 71.23 H new ATOM 0 HG2 MET A 365 2.709 -0.260 -3.900 1.00 63.30 H new ATOM 0 HG3 MET A 365 1.462 0.654 -4.724 1.00 63.30 H new ATOM 0 HE1 MET A 365 0.244 -0.822 -1.462 1.00 71.13 H new ATOM 0 HE2 MET A 365 0.852 0.583 -2.369 1.00 71.13 H new ATOM 0 HE3 MET A 365 -0.852 0.093 -2.523 1.00 71.13 H new ATOM 368 N ARG A 366 5.108 0.466 -5.275 1.00 0.11 N ATOM 369 CA ARG A 366 6.422 0.186 -4.764 1.00 15.14 C ATOM 370 C ARG A 366 6.326 -0.724 -3.594 1.00 3.11 C ATOM 371 O ARG A 366 5.293 -0.747 -2.918 1.00 54.01 O ATOM 372 CB ARG A 366 7.172 1.428 -4.361 1.00 51.15 C ATOM 373 CG ARG A 366 7.567 2.283 -5.518 1.00 14.52 C ATOM 374 CD ARG A 366 8.494 3.364 -5.070 1.00 35.51 C ATOM 375 NE ARG A 366 7.858 4.303 -4.133 1.00 13.20 N ATOM 376 CZ ARG A 366 8.487 5.012 -3.185 1.00 14.40 C ATOM 377 NH1 ARG A 366 9.801 4.899 -3.017 1.00 40.01 N ATOM 378 NH2 ARG A 366 7.791 5.843 -2.410 1.00 70.54 N ATOM 0 H ARG A 366 4.603 1.216 -4.803 1.00 0.11 H new ATOM 0 HA ARG A 366 6.979 -0.285 -5.574 1.00 15.14 H new ATOM 0 HB2 ARG A 366 6.553 2.013 -3.681 1.00 51.15 H new ATOM 0 HB3 ARG A 366 8.067 1.140 -3.809 1.00 51.15 H new ATOM 0 HG2 ARG A 366 8.050 1.673 -6.281 1.00 14.52 H new ATOM 0 HG3 ARG A 366 6.680 2.721 -5.975 1.00 14.52 H new ATOM 0 HD2 ARG A 366 9.366 2.916 -4.593 1.00 35.51 H new ATOM 0 HD3 ARG A 366 8.854 3.913 -5.940 1.00 35.51 H new ATOM 0 HE ARG A 366 6.848 4.426 -4.212 1.00 13.20 H new ATOM 0 HH11 ARG A 366 10.339 4.269 -3.612 1.00 40.01 H new ATOM 0 HH12 ARG A 366 10.271 5.442 -2.293 1.00 40.01 H new ATOM 0 HH21 ARG A 366 6.784 5.938 -2.539 1.00 70.54 H new ATOM 0 HH22 ARG A 366 8.266 6.384 -1.687 1.00 70.54 H new ATOM 392 N LEU A 367 7.374 -1.465 -3.345 1.00 30.23 N ATOM 393 CA LEU A 367 7.475 -2.322 -2.186 1.00 42.11 C ATOM 394 C LEU A 367 7.182 -1.539 -0.893 1.00 42.20 C ATOM 395 O LEU A 367 6.488 -2.027 0.001 1.00 21.04 O ATOM 396 CB LEU A 367 8.857 -2.976 -2.183 1.00 54.30 C ATOM 397 CG LEU A 367 9.278 -3.745 -0.947 1.00 0.54 C ATOM 398 CD1 LEU A 367 8.246 -4.775 -0.581 1.00 1.43 C ATOM 399 CD2 LEU A 367 10.580 -4.423 -1.238 1.00 53.54 C ATOM 0 H LEU A 367 8.195 -1.493 -3.949 1.00 30.23 H new ATOM 0 HA LEU A 367 6.723 -3.109 -2.232 1.00 42.11 H new ATOM 0 HB2 LEU A 367 8.906 -3.657 -3.033 1.00 54.30 H new ATOM 0 HB3 LEU A 367 9.596 -2.195 -2.358 1.00 54.30 H new ATOM 0 HG LEU A 367 9.381 -3.056 -0.109 1.00 0.54 H new ATOM 0 HD11 LEU A 367 8.570 -5.314 0.309 1.00 1.43 H new ATOM 0 HD12 LEU A 367 7.295 -4.282 -0.380 1.00 1.43 H new ATOM 0 HD13 LEU A 367 8.124 -5.477 -1.406 1.00 1.43 H new ATOM 0 HD21 LEU A 367 10.903 -4.983 -0.360 1.00 53.54 H new ATOM 0 HD22 LEU A 367 10.455 -5.105 -2.079 1.00 53.54 H new ATOM 0 HD23 LEU A 367 11.332 -3.675 -1.487 1.00 53.54 H new ATOM 411 N ASN A 368 7.670 -0.306 -0.830 1.00 61.33 N ATOM 412 CA ASN A 368 7.419 0.569 0.321 1.00 40.41 C ATOM 413 C ASN A 368 5.939 0.906 0.410 1.00 65.12 C ATOM 414 O ASN A 368 5.364 0.974 1.492 1.00 11.01 O ATOM 415 CB ASN A 368 8.210 1.890 0.225 1.00 70.23 C ATOM 416 CG ASN A 368 9.719 1.733 0.117 1.00 61.03 C ATOM 417 OD1 ASN A 368 10.234 0.777 -0.477 1.00 63.54 O ATOM 418 ND2 ASN A 368 10.434 2.647 0.707 1.00 31.33 N ATOM 0 H ASN A 368 8.243 0.116 -1.561 1.00 61.33 H new ATOM 0 HA ASN A 368 7.745 0.027 1.208 1.00 40.41 H new ATOM 0 HB2 ASN A 368 7.855 2.445 -0.643 1.00 70.23 H new ATOM 0 HB3 ASN A 368 7.985 2.494 1.104 1.00 70.23 H new ATOM 0 HD21 ASN A 368 11.452 2.589 0.689 1.00 31.33 H new ATOM 0 HD22 ASN A 368 9.976 3.421 1.187 1.00 31.33 H new ATOM 425 N GLU A 369 5.317 1.083 -0.740 1.00 55.32 N ATOM 426 CA GLU A 369 3.916 1.462 -0.814 1.00 53.43 C ATOM 427 C GLU A 369 3.019 0.329 -0.383 1.00 5.50 C ATOM 428 O GLU A 369 2.005 0.553 0.261 1.00 15.32 O ATOM 429 CB GLU A 369 3.570 1.963 -2.198 1.00 4.10 C ATOM 430 CG GLU A 369 4.356 3.192 -2.582 1.00 4.21 C ATOM 431 CD GLU A 369 4.158 4.309 -1.599 1.00 4.42 C ATOM 432 OE1 GLU A 369 3.115 4.980 -1.669 1.00 62.24 O ATOM 433 OE2 GLU A 369 5.047 4.529 -0.748 1.00 62.24 O ATOM 0 H GLU A 369 5.766 0.969 -1.649 1.00 55.32 H new ATOM 0 HA GLU A 369 3.747 2.282 -0.117 1.00 53.43 H new ATOM 0 HB2 GLU A 369 3.760 1.173 -2.925 1.00 4.10 H new ATOM 0 HB3 GLU A 369 2.505 2.189 -2.243 1.00 4.10 H new ATOM 0 HG2 GLU A 369 5.415 2.943 -2.640 1.00 4.21 H new ATOM 0 HG3 GLU A 369 4.051 3.523 -3.575 1.00 4.21 H new ATOM 440 N ILE A 370 3.407 -0.885 -0.742 1.00 12.25 N ATOM 441 CA ILE A 370 2.732 -2.093 -0.277 1.00 22.21 C ATOM 442 C ILE A 370 2.659 -2.080 1.251 1.00 74.33 C ATOM 443 O ILE A 370 1.611 -2.345 1.834 1.00 2.11 O ATOM 444 CB ILE A 370 3.492 -3.345 -0.789 1.00 23.22 C ATOM 445 CG1 ILE A 370 3.368 -3.419 -2.317 1.00 41.02 C ATOM 446 CG2 ILE A 370 3.008 -4.651 -0.120 1.00 23.12 C ATOM 447 CD1 ILE A 370 4.200 -4.495 -2.941 1.00 71.42 C ATOM 0 H ILE A 370 4.197 -1.063 -1.362 1.00 12.25 H new ATOM 0 HA ILE A 370 1.716 -2.126 -0.670 1.00 22.21 H new ATOM 0 HB ILE A 370 4.541 -3.242 -0.513 1.00 23.22 H new ATOM 0 HG12 ILE A 370 2.323 -3.583 -2.579 1.00 41.02 H new ATOM 0 HG13 ILE A 370 3.656 -2.458 -2.742 1.00 41.02 H new ATOM 0 HG21 ILE A 370 3.574 -5.494 -0.516 1.00 23.12 H new ATOM 0 HG22 ILE A 370 3.160 -4.586 0.957 1.00 23.12 H new ATOM 0 HG23 ILE A 370 1.948 -4.796 -0.329 1.00 23.12 H new ATOM 0 HD11 ILE A 370 4.059 -4.484 -4.022 1.00 71.42 H new ATOM 0 HD12 ILE A 370 5.251 -4.322 -2.711 1.00 71.42 H new ATOM 0 HD13 ILE A 370 3.897 -5.465 -2.546 1.00 71.42 H new ATOM 459 N TYR A 371 3.768 -1.712 1.883 1.00 23.42 N ATOM 460 CA TYR A 371 3.815 -1.579 3.341 1.00 52.23 C ATOM 461 C TYR A 371 2.823 -0.526 3.837 1.00 14.14 C ATOM 462 O TYR A 371 2.113 -0.743 4.822 1.00 22.02 O ATOM 463 CB TYR A 371 5.225 -1.245 3.836 1.00 41.12 C ATOM 464 CG TYR A 371 6.269 -2.287 3.524 1.00 45.31 C ATOM 465 CD1 TYR A 371 6.007 -3.637 3.695 1.00 21.44 C ATOM 466 CD2 TYR A 371 7.520 -1.918 3.061 1.00 45.10 C ATOM 467 CE1 TYR A 371 6.962 -4.586 3.414 1.00 22.54 C ATOM 468 CE2 TYR A 371 8.482 -2.860 2.780 1.00 35.23 C ATOM 469 CZ TYR A 371 8.197 -4.193 2.958 1.00 50.30 C ATOM 470 OH TYR A 371 9.161 -5.139 2.695 1.00 45.32 O ATOM 0 H TYR A 371 4.648 -1.500 1.412 1.00 23.42 H new ATOM 0 HA TYR A 371 3.530 -2.547 3.754 1.00 52.23 H new ATOM 0 HB2 TYR A 371 5.535 -0.298 3.395 1.00 41.12 H new ATOM 0 HB3 TYR A 371 5.190 -1.098 4.915 1.00 41.12 H new ATOM 0 HD1 TYR A 371 5.038 -3.949 4.055 1.00 21.44 H new ATOM 0 HD2 TYR A 371 7.745 -0.871 2.918 1.00 45.10 H new ATOM 0 HE1 TYR A 371 6.742 -5.634 3.551 1.00 22.54 H new ATOM 0 HE2 TYR A 371 9.454 -2.555 2.422 1.00 35.23 H new ATOM 0 HH TYR A 371 9.007 -5.928 3.256 1.00 45.32 H new ATOM 480 N ASN A 372 2.764 0.595 3.132 1.00 41.23 N ATOM 481 CA ASN A 372 1.834 1.696 3.482 1.00 45.13 C ATOM 482 C ASN A 372 0.394 1.248 3.429 1.00 34.42 C ATOM 483 O ASN A 372 -0.413 1.659 4.260 1.00 2.42 O ATOM 484 CB ASN A 372 2.012 2.962 2.610 1.00 52.31 C ATOM 485 CG ASN A 372 3.280 3.748 2.895 1.00 73.23 C ATOM 486 OD1 ASN A 372 3.304 4.637 3.749 1.00 54.34 O ATOM 487 ND2 ASN A 372 4.335 3.451 2.193 1.00 43.21 N ATOM 0 H ASN A 372 3.342 0.780 2.313 1.00 41.23 H new ATOM 0 HA ASN A 372 2.094 1.967 4.505 1.00 45.13 H new ATOM 0 HB2 ASN A 372 2.009 2.668 1.560 1.00 52.31 H new ATOM 0 HB3 ASN A 372 1.153 3.615 2.760 1.00 52.31 H new ATOM 0 HD21 ASN A 372 5.207 3.958 2.344 1.00 43.21 H new ATOM 0 HD22 ASN A 372 4.290 2.711 1.492 1.00 43.21 H new ATOM 494 N TRP A 373 0.070 0.396 2.465 1.00 50.03 N ATOM 495 CA TRP A 373 -1.279 -0.114 2.327 1.00 13.04 C ATOM 496 C TRP A 373 -1.708 -0.851 3.578 1.00 13.54 C ATOM 497 O TRP A 373 -2.757 -0.553 4.143 1.00 34.23 O ATOM 498 CB TRP A 373 -1.417 -1.018 1.109 1.00 64.32 C ATOM 499 CG TRP A 373 -2.813 -1.546 0.919 1.00 53.41 C ATOM 500 CD1 TRP A 373 -3.811 -0.970 0.205 1.00 24.45 C ATOM 501 CD2 TRP A 373 -3.355 -2.761 1.459 1.00 23.32 C ATOM 502 NE1 TRP A 373 -4.941 -1.743 0.272 1.00 33.35 N ATOM 503 CE2 TRP A 373 -4.683 -2.854 1.029 1.00 42.52 C ATOM 504 CE3 TRP A 373 -2.837 -3.768 2.263 1.00 35.35 C ATOM 505 CZ2 TRP A 373 -5.504 -3.931 1.374 1.00 40.14 C ATOM 506 CZ3 TRP A 373 -3.644 -4.828 2.609 1.00 30.21 C ATOM 507 CH2 TRP A 373 -4.964 -4.903 2.161 1.00 42.02 C ATOM 0 H TRP A 373 0.727 0.046 1.768 1.00 50.03 H new ATOM 0 HA TRP A 373 -1.936 0.744 2.183 1.00 13.04 H new ATOM 0 HB2 TRP A 373 -1.120 -0.465 0.218 1.00 64.32 H new ATOM 0 HB3 TRP A 373 -0.728 -1.857 1.207 1.00 64.32 H new ATOM 0 HD1 TRP A 373 -3.728 -0.039 -0.337 1.00 24.45 H new ATOM 0 HE1 TRP A 373 -5.833 -1.525 -0.172 1.00 33.35 H new ATOM 0 HE3 TRP A 373 -1.816 -3.720 2.612 1.00 35.35 H new ATOM 0 HZ2 TRP A 373 -6.526 -3.990 1.030 1.00 40.14 H new ATOM 0 HZ3 TRP A 373 -3.250 -5.614 3.237 1.00 30.21 H new ATOM 0 HH2 TRP A 373 -5.571 -5.750 2.445 1.00 42.02 H new ATOM 518 N PHE A 374 -0.890 -1.805 4.017 1.00 2.52 N ATOM 519 CA PHE A 374 -1.194 -2.575 5.227 1.00 33.32 C ATOM 520 C PHE A 374 -1.295 -1.672 6.421 1.00 34.24 C ATOM 521 O PHE A 374 -2.189 -1.810 7.231 1.00 40.42 O ATOM 522 CB PHE A 374 -0.149 -3.660 5.508 1.00 22.21 C ATOM 523 CG PHE A 374 -0.094 -4.786 4.528 1.00 33.42 C ATOM 524 CD1 PHE A 374 0.643 -4.682 3.377 1.00 3.43 C ATOM 525 CD2 PHE A 374 -0.773 -5.959 4.775 1.00 23.43 C ATOM 526 CE1 PHE A 374 0.705 -5.726 2.477 1.00 43.31 C ATOM 527 CE2 PHE A 374 -0.720 -7.005 3.885 1.00 64.31 C ATOM 528 CZ PHE A 374 0.023 -6.890 2.733 1.00 11.34 C ATOM 0 H PHE A 374 -0.017 -2.064 3.559 1.00 2.52 H new ATOM 0 HA PHE A 374 -2.152 -3.063 5.048 1.00 33.32 H new ATOM 0 HB2 PHE A 374 0.833 -3.189 5.546 1.00 22.21 H new ATOM 0 HB3 PHE A 374 -0.342 -4.075 6.497 1.00 22.21 H new ATOM 0 HD1 PHE A 374 1.183 -3.770 3.172 1.00 3.43 H new ATOM 0 HD2 PHE A 374 -1.354 -6.058 5.680 1.00 23.43 H new ATOM 0 HE1 PHE A 374 1.288 -5.628 1.573 1.00 43.31 H new ATOM 0 HE2 PHE A 374 -1.261 -7.917 4.090 1.00 64.31 H new ATOM 0 HZ PHE A 374 0.070 -7.711 2.033 1.00 11.34 H new ATOM 538 N ALA A 375 -0.392 -0.738 6.507 1.00 11.12 N ATOM 539 CA ALA A 375 -0.361 0.194 7.617 1.00 13.00 C ATOM 540 C ALA A 375 -1.619 1.056 7.649 1.00 44.31 C ATOM 541 O ALA A 375 -2.172 1.332 8.709 1.00 61.31 O ATOM 542 CB ALA A 375 0.879 1.058 7.541 1.00 12.03 C ATOM 0 H ALA A 375 0.345 -0.594 5.817 1.00 11.12 H new ATOM 0 HA ALA A 375 -0.330 -0.380 8.543 1.00 13.00 H new ATOM 0 HB1 ALA A 375 0.890 1.753 8.380 1.00 12.03 H new ATOM 0 HB2 ALA A 375 1.766 0.426 7.582 1.00 12.03 H new ATOM 0 HB3 ALA A 375 0.875 1.618 6.606 1.00 12.03 H new ATOM 548 N SER A 376 -2.059 1.480 6.497 1.00 12.23 N ATOM 549 CA SER A 376 -3.228 2.304 6.402 1.00 31.32 C ATOM 550 C SER A 376 -4.528 1.484 6.512 1.00 52.02 C ATOM 551 O SER A 376 -5.432 1.864 7.261 1.00 32.15 O ATOM 552 CB SER A 376 -3.208 3.155 5.119 1.00 10.21 C ATOM 553 OG SER A 376 -4.268 4.106 5.108 1.00 72.20 O ATOM 0 H SER A 376 -1.619 1.265 5.602 1.00 12.23 H new ATOM 0 HA SER A 376 -3.210 2.983 7.254 1.00 31.32 H new ATOM 0 HB2 SER A 376 -2.252 3.673 5.039 1.00 10.21 H new ATOM 0 HB3 SER A 376 -3.292 2.505 4.248 1.00 10.21 H new ATOM 0 HG SER A 376 -4.227 4.632 4.282 1.00 72.20 H new ATOM 559 N ASN A 377 -4.617 0.341 5.816 1.00 41.03 N ATOM 560 CA ASN A 377 -5.882 -0.415 5.802 1.00 33.13 C ATOM 561 C ASN A 377 -6.043 -1.281 7.032 1.00 73.30 C ATOM 562 O ASN A 377 -7.160 -1.618 7.421 1.00 61.53 O ATOM 563 CB ASN A 377 -6.097 -1.290 4.520 1.00 12.34 C ATOM 564 CG ASN A 377 -6.282 -0.525 3.192 1.00 4.51 C ATOM 565 OD1 ASN A 377 -7.081 -0.934 2.349 1.00 72.41 O ATOM 566 ND2 ASN A 377 -5.503 0.497 2.950 1.00 60.15 N ATOM 0 H ASN A 377 -3.858 -0.071 5.273 1.00 41.03 H new ATOM 0 HA ASN A 377 -6.651 0.358 5.797 1.00 33.13 H new ATOM 0 HB2 ASN A 377 -5.242 -1.957 4.414 1.00 12.34 H new ATOM 0 HB3 ASN A 377 -6.974 -1.918 4.678 1.00 12.34 H new ATOM 0 HD21 ASN A 377 -5.550 0.972 2.049 1.00 60.15 H new ATOM 0 HD22 ASN A 377 -4.848 0.819 3.663 1.00 60.15 H new ATOM 573 N VAL A 378 -4.948 -1.647 7.643 1.00 10.22 N ATOM 574 CA VAL A 378 -4.986 -2.491 8.807 1.00 54.53 C ATOM 575 C VAL A 378 -4.524 -1.697 10.022 1.00 12.31 C ATOM 576 O VAL A 378 -3.379 -1.231 10.070 1.00 74.43 O ATOM 577 CB VAL A 378 -4.103 -3.749 8.627 1.00 42.11 C ATOM 578 CG1 VAL A 378 -4.175 -4.658 9.847 1.00 73.12 C ATOM 579 CG2 VAL A 378 -4.494 -4.509 7.364 1.00 74.01 C ATOM 0 H VAL A 378 -4.011 -1.371 7.351 1.00 10.22 H new ATOM 0 HA VAL A 378 -6.012 -2.827 8.953 1.00 54.53 H new ATOM 0 HB VAL A 378 -3.071 -3.416 8.522 1.00 42.11 H new ATOM 0 HG11 VAL A 378 -3.543 -5.532 9.687 1.00 73.12 H new ATOM 0 HG12 VAL A 378 -3.828 -4.115 10.726 1.00 73.12 H new ATOM 0 HG13 VAL A 378 -5.205 -4.978 10.002 1.00 73.12 H new ATOM 0 HG21 VAL A 378 -3.860 -5.389 7.258 1.00 74.01 H new ATOM 0 HG22 VAL A 378 -5.537 -4.819 7.434 1.00 74.01 H new ATOM 0 HG23 VAL A 378 -4.365 -3.863 6.496 1.00 74.01 H new ATOM 589 N PRO A 379 -5.398 -1.549 11.025 1.00 63.15 N ATOM 590 CA PRO A 379 -5.110 -0.744 12.219 1.00 24.50 C ATOM 591 C PRO A 379 -3.934 -1.296 13.022 1.00 40.14 C ATOM 592 O PRO A 379 -3.203 -0.543 13.671 1.00 63.25 O ATOM 593 CB PRO A 379 -6.410 -0.800 13.036 1.00 62.23 C ATOM 594 CG PRO A 379 -7.169 -1.972 12.507 1.00 60.53 C ATOM 595 CD PRO A 379 -6.739 -2.161 11.077 1.00 14.33 C ATOM 0 HA PRO A 379 -4.817 0.273 11.956 1.00 24.50 H new ATOM 0 HB2 PRO A 379 -6.200 -0.917 14.099 1.00 62.23 H new ATOM 0 HB3 PRO A 379 -6.983 0.121 12.924 1.00 62.23 H new ATOM 0 HG2 PRO A 379 -6.959 -2.866 13.095 1.00 60.53 H new ATOM 0 HG3 PRO A 379 -8.243 -1.796 12.567 1.00 60.53 H new ATOM 0 HD2 PRO A 379 -6.707 -3.216 10.806 1.00 14.33 H new ATOM 0 HD3 PRO A 379 -7.427 -1.675 10.385 1.00 14.33 H new ATOM 603 N TYR A 380 -3.733 -2.606 12.938 1.00 22.51 N ATOM 604 CA TYR A 380 -2.661 -3.267 13.636 1.00 73.44 C ATOM 605 C TYR A 380 -1.314 -2.765 13.117 1.00 34.23 C ATOM 606 O TYR A 380 -0.403 -2.479 13.891 1.00 24.31 O ATOM 607 CB TYR A 380 -2.808 -4.774 13.433 1.00 53.11 C ATOM 608 CG TYR A 380 -1.840 -5.621 14.204 1.00 73.33 C ATOM 609 CD1 TYR A 380 -1.955 -5.740 15.577 1.00 52.33 C ATOM 610 CD2 TYR A 380 -0.833 -6.325 13.563 1.00 61.01 C ATOM 611 CE1 TYR A 380 -1.097 -6.530 16.298 1.00 14.41 C ATOM 612 CE2 TYR A 380 0.037 -7.120 14.273 1.00 35.20 C ATOM 613 CZ TYR A 380 -0.101 -7.220 15.649 1.00 72.34 C ATOM 614 OH TYR A 380 0.754 -8.017 16.376 1.00 43.02 O ATOM 0 H TYR A 380 -4.315 -3.232 12.381 1.00 22.51 H new ATOM 0 HA TYR A 380 -2.706 -3.045 14.702 1.00 73.44 H new ATOM 0 HB2 TYR A 380 -3.821 -5.064 13.711 1.00 53.11 H new ATOM 0 HB3 TYR A 380 -2.693 -4.994 12.372 1.00 53.11 H new ATOM 0 HD1 TYR A 380 -2.736 -5.200 16.092 1.00 52.33 H new ATOM 0 HD2 TYR A 380 -0.730 -6.248 12.491 1.00 61.01 H new ATOM 0 HE1 TYR A 380 -1.203 -6.610 17.370 1.00 14.41 H new ATOM 0 HE2 TYR A 380 0.820 -7.661 13.763 1.00 35.20 H new ATOM 0 HH TYR A 380 1.238 -8.616 15.770 1.00 43.02 H new ATOM 624 N PHE A 381 -1.205 -2.637 11.806 1.00 61.24 N ATOM 625 CA PHE A 381 0.012 -2.160 11.195 1.00 74.35 C ATOM 626 C PHE A 381 0.156 -0.682 11.336 1.00 2.43 C ATOM 627 O PHE A 381 1.262 -0.172 11.376 1.00 63.53 O ATOM 628 CB PHE A 381 0.153 -2.619 9.774 1.00 30.30 C ATOM 629 CG PHE A 381 0.166 -4.088 9.686 1.00 25.25 C ATOM 630 CD1 PHE A 381 1.054 -4.834 10.443 1.00 35.04 C ATOM 631 CD2 PHE A 381 -0.704 -4.730 8.865 1.00 61.10 C ATOM 632 CE1 PHE A 381 1.055 -6.191 10.373 1.00 1.30 C ATOM 633 CE2 PHE A 381 -0.709 -6.078 8.783 1.00 15.23 C ATOM 634 CZ PHE A 381 0.174 -6.818 9.545 1.00 20.42 C ATOM 0 H PHE A 381 -1.951 -2.859 11.146 1.00 61.24 H new ATOM 0 HA PHE A 381 0.841 -2.610 11.741 1.00 74.35 H new ATOM 0 HB2 PHE A 381 -0.670 -2.224 9.179 1.00 30.30 H new ATOM 0 HB3 PHE A 381 1.074 -2.219 9.350 1.00 30.30 H new ATOM 0 HD1 PHE A 381 1.753 -4.332 11.096 1.00 35.04 H new ATOM 0 HD2 PHE A 381 -1.400 -4.156 8.271 1.00 61.10 H new ATOM 0 HE1 PHE A 381 1.748 -6.767 10.968 1.00 1.30 H new ATOM 0 HE2 PHE A 381 -1.403 -6.577 8.122 1.00 15.23 H new ATOM 0 HZ PHE A 381 0.166 -7.896 9.484 1.00 20.42 H new ATOM 644 N GLY A 382 -0.974 0.008 11.410 1.00 70.14 N ATOM 645 CA GLY A 382 -0.962 1.435 11.652 1.00 20.30 C ATOM 646 C GLY A 382 -0.283 1.758 12.979 1.00 72.54 C ATOM 647 O GLY A 382 0.287 2.833 13.158 1.00 71.42 O ATOM 0 H GLY A 382 -1.903 -0.399 11.306 1.00 70.14 H new ATOM 0 HA2 GLY A 382 -0.440 1.941 10.840 1.00 20.30 H new ATOM 0 HA3 GLY A 382 -1.984 1.815 11.660 1.00 20.30 H new ATOM 651 N ASN A 383 -0.341 0.804 13.899 1.00 34.15 N ATOM 652 CA ASN A 383 0.309 0.907 15.197 1.00 34.22 C ATOM 653 C ASN A 383 1.765 0.442 15.133 1.00 62.54 C ATOM 654 O ASN A 383 2.499 0.525 16.116 1.00 41.23 O ATOM 655 CB ASN A 383 -0.462 0.089 16.239 1.00 53.01 C ATOM 656 CG ASN A 383 -1.819 0.674 16.562 1.00 75.51 C ATOM 657 OD1 ASN A 383 -2.006 1.888 16.528 1.00 12.32 O ATOM 658 ND2 ASN A 383 -2.769 -0.168 16.862 1.00 1.44 N ATOM 0 H ASN A 383 -0.846 -0.072 13.763 1.00 34.15 H new ATOM 0 HA ASN A 383 0.307 1.957 15.490 1.00 34.22 H new ATOM 0 HB2 ASN A 383 -0.589 -0.929 15.872 1.00 53.01 H new ATOM 0 HB3 ASN A 383 0.128 0.027 17.153 1.00 53.01 H new ATOM 0 HD21 ASN A 383 -3.705 0.175 17.078 1.00 1.44 H new ATOM 0 HD22 ASN A 383 -2.576 -1.169 16.880 1.00 1.44 H new ATOM 665 N ARG A 384 2.184 -0.039 13.981 1.00 73.14 N ATOM 666 CA ARG A 384 3.548 -0.521 13.772 1.00 44.32 C ATOM 667 C ARG A 384 4.252 0.240 12.674 1.00 32.32 C ATOM 668 O ARG A 384 5.184 -0.267 12.087 1.00 5.11 O ATOM 669 CB ARG A 384 3.579 -2.005 13.418 1.00 1.23 C ATOM 670 CG ARG A 384 3.221 -2.961 14.530 1.00 75.34 C ATOM 671 CD ARG A 384 3.475 -4.375 14.062 1.00 72.01 C ATOM 672 NE ARG A 384 3.255 -5.379 15.097 1.00 10.50 N ATOM 673 CZ ARG A 384 3.845 -6.586 15.108 1.00 24.13 C ATOM 674 NH1 ARG A 384 4.764 -6.890 14.196 1.00 52.33 N ATOM 675 NH2 ARG A 384 3.532 -7.467 16.037 1.00 12.14 N ATOM 0 H ARG A 384 1.591 -0.110 13.154 1.00 73.14 H new ATOM 0 HA ARG A 384 4.066 -0.360 14.718 1.00 44.32 H new ATOM 0 HB2 ARG A 384 2.894 -2.174 12.587 1.00 1.23 H new ATOM 0 HB3 ARG A 384 4.579 -2.252 13.062 1.00 1.23 H new ATOM 0 HG2 ARG A 384 3.815 -2.746 15.418 1.00 75.34 H new ATOM 0 HG3 ARG A 384 2.175 -2.839 14.810 1.00 75.34 H new ATOM 0 HD2 ARG A 384 2.825 -4.591 13.214 1.00 72.01 H new ATOM 0 HD3 ARG A 384 4.502 -4.452 13.705 1.00 72.01 H new ATOM 0 HE ARG A 384 2.615 -5.151 15.858 1.00 10.50 H new ATOM 0 HH11 ARG A 384 5.023 -6.206 13.485 1.00 52.33 H new ATOM 0 HH12 ARG A 384 5.210 -7.807 14.207 1.00 52.33 H new ATOM 0 HH21 ARG A 384 2.841 -7.233 16.749 1.00 12.14 H new ATOM 0 HH22 ARG A 384 3.981 -8.383 16.043 1.00 12.14 H new ATOM 689 N THR A 385 3.864 1.457 12.453 1.00 72.43 N ATOM 690 CA THR A 385 4.435 2.256 11.391 1.00 1.35 C ATOM 691 C THR A 385 5.838 2.806 11.706 1.00 35.13 C ATOM 692 O THR A 385 6.438 3.495 10.883 1.00 61.13 O ATOM 693 CB THR A 385 3.490 3.395 11.013 1.00 41.24 C ATOM 694 OG1 THR A 385 3.068 4.079 12.208 1.00 23.24 O ATOM 695 CG2 THR A 385 2.289 2.850 10.279 1.00 2.40 C ATOM 0 H THR A 385 3.144 1.933 12.997 1.00 72.43 H new ATOM 0 HA THR A 385 4.560 1.581 10.544 1.00 1.35 H new ATOM 0 HB THR A 385 4.010 4.094 10.359 1.00 41.24 H new ATOM 0 HG1 THR A 385 2.221 3.698 12.521 1.00 23.24 H new ATOM 0 HG21 THR A 385 1.622 3.670 10.014 1.00 2.40 H new ATOM 0 HG22 THR A 385 2.617 2.341 9.372 1.00 2.40 H new ATOM 0 HG23 THR A 385 1.760 2.144 10.920 1.00 2.40 H new ATOM 703 N SER A 386 6.368 2.499 12.871 1.00 32.43 N ATOM 704 CA SER A 386 7.676 2.973 13.205 1.00 44.33 C ATOM 705 C SER A 386 8.717 2.067 12.546 1.00 2.42 C ATOM 706 O SER A 386 8.421 0.910 12.237 1.00 40.52 O ATOM 707 CB SER A 386 7.843 3.049 14.713 1.00 34.21 C ATOM 708 OG SER A 386 6.858 3.914 15.277 1.00 3.23 O ATOM 0 H SER A 386 5.914 1.931 13.587 1.00 32.43 H new ATOM 0 HA SER A 386 7.819 3.985 12.825 1.00 44.33 H new ATOM 0 HB2 SER A 386 7.753 2.053 15.146 1.00 34.21 H new ATOM 0 HB3 SER A 386 8.840 3.414 14.957 1.00 34.21 H new ATOM 0 HG SER A 386 6.975 3.953 16.249 1.00 3.23 H new ATOM 714 N GLN A 387 9.908 2.585 12.342 1.00 53.42 N ATOM 715 CA GLN A 387 10.966 1.893 11.609 1.00 70.13 C ATOM 716 C GLN A 387 11.266 0.496 12.165 1.00 11.41 C ATOM 717 O GLN A 387 11.236 -0.491 11.421 1.00 73.25 O ATOM 718 CB GLN A 387 12.225 2.755 11.566 1.00 74.34 C ATOM 719 CG GLN A 387 13.377 2.155 10.799 1.00 70.35 C ATOM 720 CD GLN A 387 14.572 3.069 10.771 1.00 22.11 C ATOM 721 OE1 GLN A 387 15.432 3.018 11.650 1.00 32.02 O ATOM 722 NE2 GLN A 387 14.644 3.901 9.771 1.00 31.54 N ATOM 0 H GLN A 387 10.180 3.508 12.681 1.00 53.42 H new ATOM 0 HA GLN A 387 10.605 1.738 10.592 1.00 70.13 H new ATOM 0 HB2 GLN A 387 11.974 3.718 11.122 1.00 74.34 H new ATOM 0 HB3 GLN A 387 12.550 2.950 12.588 1.00 74.34 H new ATOM 0 HG2 GLN A 387 13.658 1.204 11.252 1.00 70.35 H new ATOM 0 HG3 GLN A 387 13.061 1.941 9.778 1.00 70.35 H new ATOM 0 HE21 GLN A 387 13.910 3.912 9.063 1.00 31.54 H new ATOM 0 HE22 GLN A 387 15.434 4.541 9.696 1.00 31.54 H new ATOM 731 N GLU A 388 11.511 0.398 13.460 1.00 22.24 N ATOM 732 CA GLU A 388 11.807 -0.900 14.061 1.00 13.05 C ATOM 733 C GLU A 388 10.535 -1.692 14.311 1.00 2.31 C ATOM 734 O GLU A 388 10.566 -2.906 14.462 1.00 4.31 O ATOM 735 CB GLU A 388 12.602 -0.756 15.356 1.00 51.44 C ATOM 736 CG GLU A 388 13.920 -0.038 15.183 1.00 44.25 C ATOM 737 CD GLU A 388 14.751 -0.032 16.435 1.00 21.32 C ATOM 738 OE1 GLU A 388 14.515 0.805 17.309 1.00 33.34 O ATOM 739 OE2 GLU A 388 15.669 -0.877 16.561 1.00 11.22 O ATOM 0 H GLU A 388 11.512 1.184 14.110 1.00 22.24 H new ATOM 0 HA GLU A 388 12.423 -1.448 13.347 1.00 13.05 H new ATOM 0 HB2 GLU A 388 11.997 -0.216 16.085 1.00 51.44 H new ATOM 0 HB3 GLU A 388 12.790 -1.747 15.769 1.00 51.44 H new ATOM 0 HG2 GLU A 388 14.484 -0.513 14.381 1.00 44.25 H new ATOM 0 HG3 GLU A 388 13.730 0.990 14.874 1.00 44.25 H new ATOM 746 N GLN A 389 9.416 -1.003 14.341 1.00 10.44 N ATOM 747 CA GLN A 389 8.146 -1.649 14.582 1.00 14.12 C ATOM 748 C GLN A 389 7.553 -2.293 13.357 1.00 44.10 C ATOM 749 O GLN A 389 6.662 -3.132 13.454 1.00 12.40 O ATOM 750 CB GLN A 389 7.167 -0.731 15.220 1.00 21.43 C ATOM 751 CG GLN A 389 7.632 -0.271 16.582 1.00 23.03 C ATOM 752 CD GLN A 389 6.492 0.099 17.445 1.00 2.13 C ATOM 753 OE1 GLN A 389 6.557 -0.006 18.667 1.00 65.41 O ATOM 754 NE2 GLN A 389 5.430 0.484 16.849 1.00 42.51 N ATOM 0 H GLN A 389 9.360 0.006 14.201 1.00 10.44 H new ATOM 0 HA GLN A 389 8.366 -2.456 15.280 1.00 14.12 H new ATOM 0 HB2 GLN A 389 7.010 0.136 14.578 1.00 21.43 H new ATOM 0 HB3 GLN A 389 6.205 -1.235 15.316 1.00 21.43 H new ATOM 0 HG2 GLN A 389 8.208 -1.064 17.058 1.00 23.03 H new ATOM 0 HG3 GLN A 389 8.298 0.584 16.471 1.00 23.03 H new ATOM 0 HE21 GLN A 389 5.415 0.559 15.832 1.00 42.51 H new ATOM 0 HE22 GLN A 389 4.597 0.717 17.390 1.00 42.51 H new ATOM 763 N SER A 390 8.035 -1.910 12.209 1.00 42.35 N ATOM 764 CA SER A 390 7.499 -2.427 10.991 1.00 74.54 C ATOM 765 C SER A 390 8.420 -3.434 10.316 1.00 25.45 C ATOM 766 O SER A 390 7.959 -4.284 9.552 1.00 55.32 O ATOM 767 CB SER A 390 7.159 -1.275 10.065 1.00 23.21 C ATOM 768 OG SER A 390 8.303 -0.463 9.832 1.00 14.42 O ATOM 0 H SER A 390 8.797 -1.242 12.095 1.00 42.35 H new ATOM 0 HA SER A 390 6.591 -2.980 11.232 1.00 74.54 H new ATOM 0 HB2 SER A 390 6.783 -1.662 9.118 1.00 23.21 H new ATOM 0 HB3 SER A 390 6.363 -0.673 10.503 1.00 23.21 H new ATOM 0 HG SER A 390 8.483 0.084 10.625 1.00 14.42 H new ATOM 774 N ALA A 391 9.701 -3.363 10.642 1.00 53.03 N ATOM 775 CA ALA A 391 10.746 -4.177 10.010 1.00 4.14 C ATOM 776 C ALA A 391 10.405 -5.671 9.919 1.00 70.33 C ATOM 777 O ALA A 391 10.483 -6.259 8.842 1.00 34.14 O ATOM 778 CB ALA A 391 12.067 -3.973 10.724 1.00 2.25 C ATOM 0 H ALA A 391 10.056 -2.733 11.361 1.00 53.03 H new ATOM 0 HA ALA A 391 10.822 -3.830 8.980 1.00 4.14 H new ATOM 0 HB1 ALA A 391 12.836 -4.581 10.248 1.00 2.25 H new ATOM 0 HB2 ALA A 391 12.351 -2.922 10.671 1.00 2.25 H new ATOM 0 HB3 ALA A 391 11.966 -4.269 11.768 1.00 2.25 H new ATOM 784 N GLY A 392 10.005 -6.266 11.014 1.00 70.14 N ATOM 785 CA GLY A 392 9.742 -7.690 11.016 1.00 20.13 C ATOM 786 C GLY A 392 8.587 -8.108 10.147 1.00 41.11 C ATOM 787 O GLY A 392 8.701 -9.103 9.412 1.00 53.20 O ATOM 0 H GLY A 392 9.855 -5.797 11.907 1.00 70.14 H new ATOM 0 HA2 GLY A 392 10.639 -8.214 10.685 1.00 20.13 H new ATOM 0 HA3 GLY A 392 9.546 -8.010 12.039 1.00 20.13 H new ATOM 791 N TRP A 393 7.476 -7.374 10.188 1.00 52.15 N ATOM 792 CA TRP A 393 6.359 -7.761 9.362 1.00 54.51 C ATOM 793 C TRP A 393 6.646 -7.451 7.891 1.00 42.12 C ATOM 794 O TRP A 393 6.130 -8.123 6.991 1.00 43.05 O ATOM 795 CB TRP A 393 4.975 -7.249 9.865 1.00 74.20 C ATOM 796 CG TRP A 393 4.774 -5.778 9.879 1.00 34.33 C ATOM 797 CD1 TRP A 393 5.122 -4.919 10.855 1.00 73.13 C ATOM 798 CD2 TRP A 393 4.127 -5.010 8.875 1.00 51.13 C ATOM 799 NE1 TRP A 393 4.745 -3.637 10.511 1.00 5.43 N ATOM 800 CE2 TRP A 393 4.138 -3.669 9.291 1.00 64.23 C ATOM 801 CE3 TRP A 393 3.551 -5.334 7.660 1.00 64.05 C ATOM 802 CZ2 TRP A 393 3.590 -2.640 8.523 1.00 11.52 C ATOM 803 CZ3 TRP A 393 3.006 -4.323 6.894 1.00 13.53 C ATOM 804 CH2 TRP A 393 3.029 -2.991 7.323 1.00 23.40 C ATOM 0 H TRP A 393 7.337 -6.543 10.763 1.00 52.15 H new ATOM 0 HA TRP A 393 6.258 -8.843 9.451 1.00 54.51 H new ATOM 0 HB2 TRP A 393 4.200 -7.693 9.240 1.00 74.20 H new ATOM 0 HB3 TRP A 393 4.821 -7.623 10.877 1.00 74.20 H new ATOM 0 HD1 TRP A 393 5.622 -5.193 11.772 1.00 73.13 H new ATOM 0 HE1 TRP A 393 4.896 -2.802 11.077 1.00 5.43 H new ATOM 0 HE3 TRP A 393 3.528 -6.358 7.317 1.00 64.05 H new ATOM 0 HZ2 TRP A 393 3.607 -1.614 8.859 1.00 11.52 H new ATOM 0 HZ3 TRP A 393 2.553 -4.565 5.944 1.00 13.53 H new ATOM 0 HH2 TRP A 393 2.596 -2.225 6.696 1.00 23.40 H new ATOM 815 N LYS A 394 7.514 -6.441 7.655 1.00 34.22 N ATOM 816 CA LYS A 394 8.019 -6.174 6.320 1.00 71.30 C ATOM 817 C LYS A 394 8.754 -7.377 5.789 1.00 14.34 C ATOM 818 O LYS A 394 8.555 -7.778 4.641 1.00 75.34 O ATOM 819 CB LYS A 394 8.959 -4.982 6.309 1.00 61.23 C ATOM 820 CG LYS A 394 8.278 -3.689 6.598 1.00 52.21 C ATOM 821 CD LYS A 394 9.240 -2.542 6.560 1.00 14.23 C ATOM 822 CE LYS A 394 8.499 -1.275 6.808 1.00 24.14 C ATOM 823 NZ LYS A 394 9.368 -0.087 6.729 1.00 11.34 N ATOM 0 H LYS A 394 7.867 -5.811 8.375 1.00 34.22 H new ATOM 0 HA LYS A 394 7.160 -5.951 5.687 1.00 71.30 H new ATOM 0 HB2 LYS A 394 9.746 -5.142 7.046 1.00 61.23 H new ATOM 0 HB3 LYS A 394 9.443 -4.919 5.334 1.00 61.23 H new ATOM 0 HG2 LYS A 394 7.484 -3.524 5.870 1.00 52.21 H new ATOM 0 HG3 LYS A 394 7.805 -3.737 7.579 1.00 52.21 H new ATOM 0 HD2 LYS A 394 10.016 -2.677 7.313 1.00 14.23 H new ATOM 0 HD3 LYS A 394 9.739 -2.502 5.592 1.00 14.23 H new ATOM 0 HE2 LYS A 394 7.693 -1.181 6.080 1.00 24.14 H new ATOM 0 HE3 LYS A 394 8.035 -1.316 7.793 1.00 24.14 H new ATOM 0 HZ1 LYS A 394 8.804 0.768 6.909 1.00 11.34 H new ATOM 0 HZ2 LYS A 394 10.122 -0.161 7.441 1.00 11.34 H new ATOM 0 HZ3 LYS A 394 9.792 -0.029 5.781 1.00 11.34 H new ATOM 837 N ASN A 395 9.592 -7.979 6.639 1.00 22.10 N ATOM 838 CA ASN A 395 10.361 -9.164 6.238 1.00 20.33 C ATOM 839 C ASN A 395 9.468 -10.325 5.864 1.00 40.20 C ATOM 840 O ASN A 395 9.765 -11.071 4.923 1.00 43.13 O ATOM 841 CB ASN A 395 11.403 -9.584 7.293 1.00 34.42 C ATOM 842 CG ASN A 395 12.647 -8.715 7.276 1.00 74.33 C ATOM 843 OD1 ASN A 395 13.602 -8.997 6.551 1.00 24.14 O ATOM 844 ND2 ASN A 395 12.663 -7.679 8.049 1.00 5.14 N ATOM 0 H ASN A 395 9.755 -7.671 7.598 1.00 22.10 H new ATOM 0 HA ASN A 395 10.912 -8.870 5.345 1.00 20.33 H new ATOM 0 HB2 ASN A 395 10.948 -9.539 8.283 1.00 34.42 H new ATOM 0 HB3 ASN A 395 11.689 -10.622 7.120 1.00 34.42 H new ATOM 0 HD21 ASN A 395 13.481 -7.070 8.069 1.00 5.14 H new ATOM 0 HD22 ASN A 395 11.857 -7.470 8.639 1.00 5.14 H new ATOM 851 N SER A 396 8.377 -10.466 6.568 1.00 63.42 N ATOM 852 CA SER A 396 7.439 -11.526 6.311 1.00 72.14 C ATOM 853 C SER A 396 6.716 -11.322 4.960 1.00 51.23 C ATOM 854 O SER A 396 6.545 -12.274 4.177 1.00 53.42 O ATOM 855 CB SER A 396 6.477 -11.626 7.474 1.00 25.11 C ATOM 856 OG SER A 396 7.197 -11.858 8.677 1.00 23.22 O ATOM 0 H SER A 396 8.113 -9.849 7.336 1.00 63.42 H new ATOM 0 HA SER A 396 7.972 -12.473 6.224 1.00 72.14 H new ATOM 0 HB2 SER A 396 5.897 -10.707 7.558 1.00 25.11 H new ATOM 0 HB3 SER A 396 5.768 -12.436 7.302 1.00 25.11 H new ATOM 0 HG SER A 396 7.673 -11.041 8.936 1.00 23.22 H new ATOM 862 N ILE A 397 6.311 -10.086 4.683 1.00 55.22 N ATOM 863 CA ILE A 397 5.707 -9.752 3.391 1.00 0.13 C ATOM 864 C ILE A 397 6.711 -9.995 2.283 1.00 63.14 C ATOM 865 O ILE A 397 6.398 -10.639 1.280 1.00 51.52 O ATOM 866 CB ILE A 397 5.244 -8.258 3.337 1.00 3.04 C ATOM 867 CG1 ILE A 397 4.064 -8.018 4.266 1.00 31.43 C ATOM 868 CG2 ILE A 397 4.889 -7.826 1.909 1.00 25.32 C ATOM 869 CD1 ILE A 397 3.673 -6.573 4.385 1.00 45.45 C ATOM 0 H ILE A 397 6.388 -9.301 5.330 1.00 55.22 H new ATOM 0 HA ILE A 397 4.832 -10.388 3.261 1.00 0.13 H new ATOM 0 HB ILE A 397 6.084 -7.650 3.674 1.00 3.04 H new ATOM 0 HG12 ILE A 397 3.208 -8.588 3.906 1.00 31.43 H new ATOM 0 HG13 ILE A 397 4.309 -8.402 5.256 1.00 31.43 H new ATOM 0 HG21 ILE A 397 4.572 -6.783 1.913 1.00 25.32 H new ATOM 0 HG22 ILE A 397 5.763 -7.938 1.267 1.00 25.32 H new ATOM 0 HG23 ILE A 397 4.079 -8.450 1.531 1.00 25.32 H new ATOM 0 HD11 ILE A 397 2.825 -6.480 5.064 1.00 45.45 H new ATOM 0 HD12 ILE A 397 4.514 -5.999 4.775 1.00 45.45 H new ATOM 0 HD13 ILE A 397 3.396 -6.189 3.403 1.00 45.45 H new ATOM 881 N ARG A 398 7.932 -9.519 2.507 1.00 71.15 N ATOM 882 CA ARG A 398 8.987 -9.566 1.552 1.00 21.45 C ATOM 883 C ARG A 398 9.255 -11.019 1.105 1.00 52.23 C ATOM 884 O ARG A 398 9.440 -11.285 -0.085 1.00 22.32 O ATOM 885 CB ARG A 398 10.221 -8.953 2.201 1.00 64.32 C ATOM 886 CG ARG A 398 11.182 -8.261 1.263 1.00 63.30 C ATOM 887 CD ARG A 398 11.699 -9.161 0.171 1.00 74.32 C ATOM 888 NE ARG A 398 12.633 -8.488 -0.720 1.00 1.14 N ATOM 889 CZ ARG A 398 13.172 -9.051 -1.803 1.00 74.41 C ATOM 890 NH1 ARG A 398 12.843 -10.297 -2.146 1.00 4.12 N ATOM 891 NH2 ARG A 398 14.024 -8.365 -2.554 1.00 43.31 N ATOM 0 H ARG A 398 8.202 -9.082 3.388 1.00 71.15 H new ATOM 0 HA ARG A 398 8.718 -9.005 0.657 1.00 21.45 H new ATOM 0 HB2 ARG A 398 9.894 -8.234 2.952 1.00 64.32 H new ATOM 0 HB3 ARG A 398 10.760 -9.740 2.728 1.00 64.32 H new ATOM 0 HG2 ARG A 398 10.684 -7.403 0.812 1.00 63.30 H new ATOM 0 HG3 ARG A 398 12.025 -7.876 1.837 1.00 63.30 H new ATOM 0 HD2 ARG A 398 12.190 -10.024 0.620 1.00 74.32 H new ATOM 0 HD3 ARG A 398 10.858 -9.539 -0.410 1.00 74.32 H new ATOM 0 HE ARG A 398 12.892 -7.526 -0.503 1.00 1.14 H new ATOM 0 HH11 ARG A 398 12.177 -10.823 -1.580 1.00 4.12 H new ATOM 0 HH12 ARG A 398 13.257 -10.724 -2.975 1.00 4.12 H new ATOM 0 HH21 ARG A 398 14.267 -7.407 -2.304 1.00 43.31 H new ATOM 0 HH22 ARG A 398 14.436 -8.796 -3.382 1.00 43.31 H new ATOM 905 N HIS A 399 9.242 -11.940 2.058 1.00 25.53 N ATOM 906 CA HIS A 399 9.495 -13.353 1.769 1.00 11.41 C ATOM 907 C HIS A 399 8.408 -13.929 0.853 1.00 54.13 C ATOM 908 O HIS A 399 8.687 -14.744 -0.016 1.00 64.24 O ATOM 909 CB HIS A 399 9.594 -14.157 3.074 1.00 14.23 C ATOM 910 CG HIS A 399 9.963 -15.604 2.889 1.00 23.51 C ATOM 911 ND1 HIS A 399 9.091 -16.646 3.110 1.00 30.43 N ATOM 912 CD2 HIS A 399 11.133 -16.175 2.528 1.00 5.12 C ATOM 913 CE1 HIS A 399 9.707 -17.784 2.892 1.00 1.42 C ATOM 914 NE2 HIS A 399 10.945 -17.529 2.537 1.00 75.43 N ATOM 0 H HIS A 399 9.059 -11.738 3.041 1.00 25.53 H new ATOM 0 HA HIS A 399 10.448 -13.430 1.245 1.00 11.41 H new ATOM 0 HB2 HIS A 399 10.334 -13.686 3.721 1.00 14.23 H new ATOM 0 HB3 HIS A 399 8.637 -14.103 3.593 1.00 14.23 H new ATOM 0 HD2 HIS A 399 12.048 -15.658 2.278 1.00 5.12 H new ATOM 0 HE1 HIS A 399 9.269 -18.766 2.989 1.00 1.42 H new ATOM 0 HE2 HIS A 399 11.651 -18.227 2.306 1.00 75.43 H new ATOM 923 N ASN A 400 7.176 -13.488 1.054 1.00 51.34 N ATOM 924 CA ASN A 400 6.057 -13.940 0.223 1.00 43.44 C ATOM 925 C ASN A 400 6.087 -13.333 -1.156 1.00 23.12 C ATOM 926 O ASN A 400 5.656 -13.955 -2.120 1.00 63.14 O ATOM 927 CB ASN A 400 4.684 -13.710 0.882 1.00 60.10 C ATOM 928 CG ASN A 400 4.399 -14.673 2.015 1.00 41.40 C ATOM 929 OD1 ASN A 400 3.837 -15.747 1.809 1.00 50.52 O ATOM 930 ND2 ASN A 400 4.737 -14.293 3.200 1.00 24.42 N ATOM 0 H ASN A 400 6.920 -12.820 1.781 1.00 51.34 H new ATOM 0 HA ASN A 400 6.192 -15.017 0.123 1.00 43.44 H new ATOM 0 HB2 ASN A 400 4.636 -12.689 1.261 1.00 60.10 H new ATOM 0 HB3 ASN A 400 3.904 -13.807 0.126 1.00 60.10 H new ATOM 0 HD21 ASN A 400 4.539 -14.890 4.003 1.00 24.42 H new ATOM 0 HD22 ASN A 400 5.202 -13.395 3.334 1.00 24.42 H new ATOM 937 N LEU A 401 6.598 -12.120 -1.253 1.00 3.34 N ATOM 938 CA LEU A 401 6.630 -11.386 -2.519 1.00 11.21 C ATOM 939 C LEU A 401 7.353 -12.168 -3.627 1.00 62.35 C ATOM 940 O LEU A 401 6.824 -12.332 -4.729 1.00 33.13 O ATOM 941 CB LEU A 401 7.366 -10.057 -2.329 1.00 44.12 C ATOM 942 CG LEU A 401 6.802 -9.052 -1.321 1.00 53.54 C ATOM 943 CD1 LEU A 401 7.743 -7.905 -1.224 1.00 54.15 C ATOM 944 CD2 LEU A 401 5.450 -8.513 -1.753 1.00 44.21 C ATOM 0 H LEU A 401 7.002 -11.612 -0.466 1.00 3.34 H new ATOM 0 HA LEU A 401 5.594 -11.227 -2.818 1.00 11.21 H new ATOM 0 HB2 LEU A 401 8.391 -10.284 -2.034 1.00 44.12 H new ATOM 0 HB3 LEU A 401 7.415 -9.563 -3.299 1.00 44.12 H new ATOM 0 HG LEU A 401 6.681 -9.563 -0.366 1.00 53.54 H new ATOM 0 HD11 LEU A 401 7.358 -7.178 -0.510 1.00 54.15 H new ATOM 0 HD12 LEU A 401 8.717 -8.261 -0.889 1.00 54.15 H new ATOM 0 HD13 LEU A 401 7.845 -7.434 -2.202 1.00 54.15 H new ATOM 0 HD21 LEU A 401 5.087 -7.804 -1.009 1.00 44.21 H new ATOM 0 HD22 LEU A 401 5.549 -8.011 -2.715 1.00 44.21 H new ATOM 0 HD23 LEU A 401 4.742 -9.337 -1.845 1.00 44.21 H new ATOM 1257 N TRP A 421 7.157 -2.719 -7.857 1.00 41.22 N ATOM 1258 CA TRP A 421 6.718 -4.033 -7.504 1.00 35.44 C ATOM 1259 C TRP A 421 5.360 -4.257 -8.180 1.00 53.35 C ATOM 1260 O TRP A 421 4.413 -3.495 -7.951 1.00 73.11 O ATOM 1261 CB TRP A 421 6.577 -4.168 -5.957 1.00 31.11 C ATOM 1262 CG TRP A 421 6.652 -5.556 -5.483 1.00 20.02 C ATOM 1263 CD1 TRP A 421 7.715 -6.107 -4.874 1.00 1.00 C ATOM 1264 CD2 TRP A 421 5.648 -6.576 -5.574 1.00 61.41 C ATOM 1265 NE1 TRP A 421 7.464 -7.408 -4.583 1.00 31.25 N ATOM 1266 CE2 TRP A 421 6.186 -7.727 -5.007 1.00 13.32 C ATOM 1267 CE3 TRP A 421 4.355 -6.625 -6.084 1.00 71.41 C ATOM 1268 CZ2 TRP A 421 5.471 -8.925 -4.935 1.00 43.41 C ATOM 1269 CZ3 TRP A 421 3.650 -7.801 -6.005 1.00 21.15 C ATOM 1270 CH2 TRP A 421 4.208 -8.940 -5.435 1.00 21.32 C ATOM 0 HA TRP A 421 7.443 -4.777 -7.834 1.00 35.44 H new ATOM 0 HB2 TRP A 421 7.362 -3.585 -5.476 1.00 31.11 H new ATOM 0 HB3 TRP A 421 5.625 -3.737 -5.647 1.00 31.11 H new ATOM 0 HD1 TRP A 421 8.636 -5.589 -4.649 1.00 1.00 H new ATOM 0 HE1 TRP A 421 8.113 -8.048 -4.125 1.00 31.25 H new ATOM 0 HE3 TRP A 421 3.911 -5.750 -6.536 1.00 71.41 H new ATOM 0 HZ2 TRP A 421 5.908 -9.810 -4.496 1.00 43.41 H new ATOM 0 HZ3 TRP A 421 2.643 -7.842 -6.393 1.00 21.15 H new ATOM 0 HH2 TRP A 421 3.629 -9.850 -5.389 1.00 21.32 H new ATOM 1281 N VAL A 422 5.277 -5.261 -9.035 1.00 3.52 N ATOM 1282 CA VAL A 422 4.042 -5.580 -9.746 1.00 3.23 C ATOM 1283 C VAL A 422 3.844 -7.095 -9.799 1.00 22.34 C ATOM 1284 O VAL A 422 4.809 -7.862 -9.643 1.00 44.11 O ATOM 1285 CB VAL A 422 4.023 -5.010 -11.208 1.00 33.34 C ATOM 1286 CG1 VAL A 422 4.066 -3.487 -11.217 1.00 43.01 C ATOM 1287 CG2 VAL A 422 5.176 -5.574 -12.030 1.00 30.01 C ATOM 0 H VAL A 422 6.058 -5.878 -9.258 1.00 3.52 H new ATOM 0 HA VAL A 422 3.230 -5.108 -9.193 1.00 3.23 H new ATOM 0 HB VAL A 422 3.084 -5.324 -11.663 1.00 33.34 H new ATOM 0 HG11 VAL A 422 4.051 -3.129 -12.246 1.00 43.01 H new ATOM 0 HG12 VAL A 422 3.200 -3.095 -10.684 1.00 43.01 H new ATOM 0 HG13 VAL A 422 4.978 -3.146 -10.727 1.00 43.01 H new ATOM 0 HG21 VAL A 422 5.139 -5.163 -13.039 1.00 30.01 H new ATOM 0 HG22 VAL A 422 6.123 -5.304 -11.562 1.00 30.01 H new ATOM 0 HG23 VAL A 422 5.092 -6.660 -12.078 1.00 30.01 H new ATOM 1297 N ILE A 423 2.619 -7.522 -10.009 1.00 41.11 N ATOM 1298 CA ILE A 423 2.322 -8.936 -10.108 1.00 53.14 C ATOM 1299 C ILE A 423 2.331 -9.339 -11.574 1.00 31.03 C ATOM 1300 O ILE A 423 1.797 -8.622 -12.422 1.00 14.05 O ATOM 1301 CB ILE A 423 0.943 -9.297 -9.460 1.00 42.14 C ATOM 1302 CG1 ILE A 423 0.936 -8.892 -7.978 1.00 14.32 C ATOM 1303 CG2 ILE A 423 0.641 -10.796 -9.604 1.00 54.44 C ATOM 1304 CD1 ILE A 423 -0.353 -9.208 -7.239 1.00 11.25 C ATOM 0 H ILE A 423 1.810 -6.910 -10.115 1.00 41.11 H new ATOM 0 HA ILE A 423 3.086 -9.485 -9.558 1.00 53.14 H new ATOM 0 HB ILE A 423 0.163 -8.744 -9.984 1.00 42.14 H new ATOM 0 HG12 ILE A 423 1.761 -9.396 -7.474 1.00 14.32 H new ATOM 0 HG13 ILE A 423 1.126 -7.821 -7.907 1.00 14.32 H new ATOM 0 HG21 ILE A 423 -0.322 -11.019 -9.145 1.00 54.44 H new ATOM 0 HG22 ILE A 423 0.610 -11.061 -10.661 1.00 54.44 H new ATOM 0 HG23 ILE A 423 1.421 -11.374 -9.108 1.00 54.44 H new ATOM 0 HD11 ILE A 423 -0.265 -8.887 -6.201 1.00 11.25 H new ATOM 0 HD12 ILE A 423 -1.182 -8.682 -7.713 1.00 11.25 H new ATOM 0 HD13 ILE A 423 -0.538 -10.282 -7.272 1.00 11.25 H new