USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 494 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 342 ASN : amide:sc= 0.252 K(o=0.25,f=-1.3) USER MOD Single : A 348 SER OG : rot 118:sc= 0.164 USER MOD Single : A 349 TYR OH : rot 30:sc= -0.333 USER MOD Single : A 350 SER OG : rot 180:sc= 0 USER MOD Single : A 355 LYS NZ :NH3+ -168:sc=-0.00721 (180deg=-0.159) USER MOD Single : A 358 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 359 SER OG : rot 66:sc= 0.601 USER MOD Single : A 360 THR OG1 : rot -51:sc= 0.233 USER MOD Single : A 365 MET CE :methyl -113:sc= -0.144 (180deg=-1.63) USER MOD Single : A 368 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 371 TYR OH : rot 180:sc= -0.0445 USER MOD Single : A 372 ASN : amide:sc= -0.837 X(o=-0.84,f=-0.73) USER MOD Single : A 376 SER OG : rot 180:sc= 0 USER MOD Single : A 377 ASN : amide:sc= 0.78 K(o=0.78,f=0) USER MOD Single : A 380 TYR OH : rot 180:sc= 0 USER MOD Single : A 383 ASN : amide:sc= 1.13 K(o=1.1,f=-0.09) USER MOD Single : A 385 THR OG1 : rot 180:sc= 0 USER MOD Single : A 386 SER OG : rot 180:sc= 0 USER MOD Single : A 387 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 389 GLN : amide:sc= -2.03! K(o=-2!,f=-0.074) USER MOD Single : A 390 SER OG : rot -79:sc= 1.22 USER MOD Single : A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 395 ASN : amide:sc= 1.14 K(o=1.1,f=-0.13) USER MOD Single : A 396 SER OG : rot 66:sc= 1.02 USER MOD Single : A 399 HIS : no HD1:sc= -1.41 K(o=-1.4,f=-2.6!) USER MOD Single : A 400 ASN : amide:sc= -0.472 X(o=-0.47,f=-0.0052) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 342 -0.905 -15.317 10.613 1.00 73.00 N ATOM 2 CA ASN A 342 -0.532 -14.068 9.941 1.00 25.14 C ATOM 3 C ASN A 342 -0.841 -12.913 10.870 1.00 23.10 C ATOM 4 O ASN A 342 -1.834 -12.952 11.575 1.00 32.03 O ATOM 5 CB ASN A 342 -1.286 -13.915 8.610 1.00 25.24 C ATOM 6 CG ASN A 342 -0.993 -15.051 7.652 1.00 72.44 C ATOM 7 OD1 ASN A 342 0.088 -15.616 7.656 1.00 62.01 O ATOM 8 ND2 ASN A 342 -1.940 -15.384 6.831 1.00 41.13 N ATOM 0 HA ASN A 342 0.533 -14.080 9.710 1.00 25.14 H new ATOM 0 HB2 ASN A 342 -2.358 -13.873 8.804 1.00 25.24 H new ATOM 0 HB3 ASN A 342 -1.009 -12.969 8.144 1.00 25.24 H new ATOM 0 HD21 ASN A 342 -1.793 -16.139 6.162 1.00 41.13 H new ATOM 0 HD22 ASN A 342 -2.832 -14.890 6.855 1.00 41.13 H new ATOM 17 N PRO A 343 -0.011 -11.850 10.877 1.00 62.00 N ATOM 18 CA PRO A 343 -0.127 -10.743 11.856 1.00 12.23 C ATOM 19 C PRO A 343 -1.501 -10.023 11.876 1.00 12.22 C ATOM 20 O PRO A 343 -1.917 -9.520 12.903 1.00 62.52 O ATOM 21 CB PRO A 343 1.005 -9.776 11.447 1.00 41.14 C ATOM 22 CG PRO A 343 1.351 -10.149 10.048 1.00 71.30 C ATOM 23 CD PRO A 343 1.115 -11.631 9.947 1.00 61.40 C ATOM 0 HA PRO A 343 -0.044 -11.126 12.873 1.00 12.23 H new ATOM 0 HB2 PRO A 343 0.678 -8.738 11.508 1.00 41.14 H new ATOM 0 HB3 PRO A 343 1.867 -9.878 12.106 1.00 41.14 H new ATOM 0 HG2 PRO A 343 0.732 -9.605 9.334 1.00 71.30 H new ATOM 0 HG3 PRO A 343 2.389 -9.902 9.823 1.00 71.30 H new ATOM 0 HD2 PRO A 343 0.863 -11.932 8.930 1.00 61.40 H new ATOM 0 HD3 PRO A 343 1.997 -12.201 10.239 1.00 61.40 H new ATOM 31 N TRP A 344 -2.180 -9.989 10.754 1.00 54.53 N ATOM 32 CA TRP A 344 -3.478 -9.306 10.647 1.00 14.21 C ATOM 33 C TRP A 344 -4.667 -10.267 10.872 1.00 50.43 C ATOM 34 O TRP A 344 -5.746 -9.841 11.295 1.00 1.34 O ATOM 35 CB TRP A 344 -3.598 -8.670 9.256 1.00 65.21 C ATOM 36 CG TRP A 344 -3.362 -9.653 8.145 1.00 71.34 C ATOM 37 CD1 TRP A 344 -4.241 -10.566 7.637 1.00 71.11 C ATOM 38 CD2 TRP A 344 -2.163 -9.809 7.394 1.00 44.13 C ATOM 39 NE1 TRP A 344 -3.637 -11.285 6.662 1.00 74.12 N ATOM 40 CE2 TRP A 344 -2.375 -10.834 6.483 1.00 45.15 C ATOM 41 CE3 TRP A 344 -0.938 -9.186 7.411 1.00 13.21 C ATOM 42 CZ2 TRP A 344 -1.405 -11.247 5.598 1.00 74.10 C ATOM 43 CZ3 TRP A 344 0.030 -9.592 6.524 1.00 21.22 C ATOM 44 CH2 TRP A 344 -0.216 -10.614 5.631 1.00 51.55 C ATOM 0 H TRP A 344 -1.865 -10.426 9.888 1.00 54.53 H new ATOM 0 HA TRP A 344 -3.518 -8.545 11.427 1.00 14.21 H new ATOM 0 HB2 TRP A 344 -4.591 -8.234 9.145 1.00 65.21 H new ATOM 0 HB3 TRP A 344 -2.881 -7.854 9.171 1.00 65.21 H new ATOM 0 HD1 TRP A 344 -5.262 -10.695 7.963 1.00 71.11 H new ATOM 0 HE1 TRP A 344 -4.068 -12.050 6.142 1.00 74.12 H new ATOM 0 HE3 TRP A 344 -0.739 -8.389 8.112 1.00 13.21 H new ATOM 0 HZ2 TRP A 344 -1.591 -12.051 4.901 1.00 74.10 H new ATOM 0 HZ3 TRP A 344 0.994 -9.105 6.526 1.00 21.22 H new ATOM 0 HH2 TRP A 344 0.561 -10.913 4.943 1.00 51.55 H new ATOM 55 N GLY A 345 -4.461 -11.546 10.582 1.00 71.01 N ATOM 56 CA GLY A 345 -5.536 -12.511 10.649 1.00 34.54 C ATOM 57 C GLY A 345 -5.205 -13.768 9.861 1.00 61.55 C ATOM 58 O GLY A 345 -4.073 -14.242 9.910 1.00 74.31 O ATOM 0 H GLY A 345 -3.560 -11.932 10.300 1.00 71.01 H new ATOM 0 HA2 GLY A 345 -5.728 -12.772 11.690 1.00 34.54 H new ATOM 0 HA3 GLY A 345 -6.451 -12.066 10.259 1.00 34.54 H new ATOM 62 N ALA A 346 -6.173 -14.282 9.109 1.00 23.34 N ATOM 63 CA ALA A 346 -5.993 -15.533 8.357 1.00 32.04 C ATOM 64 C ALA A 346 -5.757 -15.306 6.856 1.00 51.14 C ATOM 65 O ALA A 346 -5.295 -16.216 6.150 1.00 50.22 O ATOM 66 CB ALA A 346 -7.182 -16.452 8.570 1.00 21.43 C ATOM 0 H ALA A 346 -7.093 -13.856 9.000 1.00 23.34 H new ATOM 0 HA ALA A 346 -5.091 -16.004 8.747 1.00 32.04 H new ATOM 0 HB1 ALA A 346 -7.035 -17.374 8.007 1.00 21.43 H new ATOM 0 HB2 ALA A 346 -7.276 -16.685 9.631 1.00 21.43 H new ATOM 0 HB3 ALA A 346 -8.090 -15.958 8.225 1.00 21.43 H new ATOM 72 N GLU A 347 -6.094 -14.113 6.371 1.00 14.12 N ATOM 73 CA GLU A 347 -5.868 -13.723 4.964 1.00 63.03 C ATOM 74 C GLU A 347 -4.410 -13.894 4.640 1.00 51.30 C ATOM 75 O GLU A 347 -3.569 -13.694 5.502 1.00 14.31 O ATOM 76 CB GLU A 347 -6.292 -12.255 4.744 1.00 60.11 C ATOM 77 CG GLU A 347 -7.801 -11.985 4.836 1.00 62.22 C ATOM 78 CD GLU A 347 -8.428 -12.499 6.108 1.00 41.22 C ATOM 79 OE1 GLU A 347 -8.111 -11.978 7.193 1.00 51.41 O ATOM 80 OE2 GLU A 347 -9.186 -13.477 6.044 1.00 12.12 O ATOM 0 H GLU A 347 -6.531 -13.384 6.934 1.00 14.12 H new ATOM 0 HA GLU A 347 -6.466 -14.356 4.308 1.00 63.03 H new ATOM 0 HB2 GLU A 347 -5.783 -11.633 5.481 1.00 60.11 H new ATOM 0 HB3 GLU A 347 -5.942 -11.937 3.762 1.00 60.11 H new ATOM 0 HG2 GLU A 347 -7.975 -10.911 4.763 1.00 62.22 H new ATOM 0 HG3 GLU A 347 -8.297 -12.448 3.983 1.00 62.22 H new ATOM 87 N SER A 348 -4.099 -14.250 3.439 1.00 24.11 N ATOM 88 CA SER A 348 -2.732 -14.505 3.104 1.00 42.35 C ATOM 89 C SER A 348 -2.066 -13.197 2.793 1.00 51.43 C ATOM 90 O SER A 348 -2.760 -12.207 2.486 1.00 61.15 O ATOM 91 CB SER A 348 -2.648 -15.418 1.893 1.00 14.04 C ATOM 92 OG SER A 348 -3.441 -16.582 2.063 1.00 11.33 O ATOM 0 H SER A 348 -4.765 -14.371 2.676 1.00 24.11 H new ATOM 0 HA SER A 348 -2.235 -14.994 3.942 1.00 42.35 H new ATOM 0 HB2 SER A 348 -2.978 -14.878 1.006 1.00 14.04 H new ATOM 0 HB3 SER A 348 -1.610 -15.705 1.724 1.00 14.04 H new ATOM 0 HG SER A 348 -4.139 -16.605 1.376 1.00 11.33 H new ATOM 98 N TYR A 349 -0.749 -13.172 2.880 1.00 13.32 N ATOM 99 CA TYR A 349 0.004 -11.992 2.545 1.00 42.11 C ATOM 100 C TYR A 349 -0.316 -11.605 1.156 1.00 12.54 C ATOM 101 O TYR A 349 -0.880 -10.566 0.939 1.00 3.03 O ATOM 102 CB TYR A 349 1.506 -12.222 2.674 1.00 23.22 C ATOM 103 CG TYR A 349 2.010 -12.452 4.069 1.00 51.00 C ATOM 104 CD1 TYR A 349 1.684 -13.600 4.778 1.00 44.43 C ATOM 105 CD2 TYR A 349 2.827 -11.519 4.676 1.00 10.40 C ATOM 106 CE1 TYR A 349 2.160 -13.804 6.046 1.00 63.54 C ATOM 107 CE2 TYR A 349 3.313 -11.723 5.946 1.00 1.42 C ATOM 108 CZ TYR A 349 2.975 -12.869 6.625 1.00 51.23 C ATOM 109 OH TYR A 349 3.473 -13.098 7.885 1.00 61.22 O ATOM 0 H TYR A 349 -0.182 -13.964 3.182 1.00 13.32 H new ATOM 0 HA TYR A 349 -0.270 -11.200 3.242 1.00 42.11 H new ATOM 0 HB2 TYR A 349 1.777 -13.083 2.062 1.00 23.22 H new ATOM 0 HB3 TYR A 349 2.025 -11.359 2.257 1.00 23.22 H new ATOM 0 HD1 TYR A 349 1.046 -14.343 4.323 1.00 44.43 H new ATOM 0 HD2 TYR A 349 3.088 -10.615 4.145 1.00 10.40 H new ATOM 0 HE1 TYR A 349 1.893 -14.700 6.587 1.00 63.54 H new ATOM 0 HE2 TYR A 349 3.956 -10.988 6.407 1.00 1.42 H new ATOM 0 HH TYR A 349 3.576 -14.062 8.026 1.00 61.22 H new ATOM 119 N SER A 350 -0.009 -12.484 0.225 1.00 43.42 N ATOM 120 CA SER A 350 -0.253 -12.245 -1.190 1.00 31.54 C ATOM 121 C SER A 350 -1.723 -11.833 -1.486 1.00 3.43 C ATOM 122 O SER A 350 -1.971 -11.060 -2.406 1.00 4.51 O ATOM 123 CB SER A 350 0.123 -13.478 -1.979 1.00 31.12 C ATOM 124 OG SER A 350 1.481 -13.844 -1.739 1.00 23.52 O ATOM 0 H SER A 350 0.418 -13.388 0.425 1.00 43.42 H new ATOM 0 HA SER A 350 0.369 -11.404 -1.496 1.00 31.54 H new ATOM 0 HB2 SER A 350 -0.534 -14.304 -1.705 1.00 31.12 H new ATOM 0 HB3 SER A 350 -0.025 -13.292 -3.043 1.00 31.12 H new ATOM 0 HG SER A 350 1.701 -14.645 -2.259 1.00 23.52 H new ATOM 130 N ASP A 351 -2.673 -12.324 -0.679 1.00 23.11 N ATOM 131 CA ASP A 351 -4.085 -11.946 -0.842 1.00 63.42 C ATOM 132 C ASP A 351 -4.320 -10.493 -0.470 1.00 63.45 C ATOM 133 O ASP A 351 -5.003 -9.761 -1.194 1.00 65.14 O ATOM 134 CB ASP A 351 -5.052 -12.889 -0.088 1.00 0.55 C ATOM 135 CG ASP A 351 -5.201 -14.240 -0.765 1.00 3.24 C ATOM 136 OD1 ASP A 351 -5.850 -14.316 -1.838 1.00 75.04 O ATOM 137 OD2 ASP A 351 -4.686 -15.247 -0.238 1.00 74.12 O ATOM 0 H ASP A 351 -2.494 -12.976 0.085 1.00 23.11 H new ATOM 0 HA ASP A 351 -4.311 -12.060 -1.902 1.00 63.42 H new ATOM 0 HB2 ASP A 351 -4.690 -13.035 0.930 1.00 0.55 H new ATOM 0 HB3 ASP A 351 -6.031 -12.415 -0.013 1.00 0.55 H new ATOM 142 N LEU A 352 -3.767 -10.062 0.650 1.00 42.41 N ATOM 143 CA LEU A 352 -3.862 -8.667 1.028 1.00 11.04 C ATOM 144 C LEU A 352 -2.923 -7.779 0.212 1.00 11.01 C ATOM 145 O LEU A 352 -3.255 -6.634 -0.085 1.00 10.14 O ATOM 146 CB LEU A 352 -3.605 -8.453 2.500 1.00 33.21 C ATOM 147 CG LEU A 352 -4.636 -8.959 3.494 1.00 4.54 C ATOM 148 CD1 LEU A 352 -4.241 -8.504 4.860 1.00 2.55 C ATOM 149 CD2 LEU A 352 -6.017 -8.447 3.152 1.00 73.32 C ATOM 0 H LEU A 352 -3.254 -10.651 1.305 1.00 42.41 H new ATOM 0 HA LEU A 352 -4.890 -8.376 0.810 1.00 11.04 H new ATOM 0 HB2 LEU A 352 -2.652 -8.923 2.742 1.00 33.21 H new ATOM 0 HB3 LEU A 352 -3.484 -7.382 2.664 1.00 33.21 H new ATOM 0 HG LEU A 352 -4.669 -10.048 3.456 1.00 4.54 H new ATOM 0 HD11 LEU A 352 -4.971 -8.859 5.587 1.00 2.55 H new ATOM 0 HD12 LEU A 352 -3.258 -8.905 5.107 1.00 2.55 H new ATOM 0 HD13 LEU A 352 -4.205 -7.415 4.884 1.00 2.55 H new ATOM 0 HD21 LEU A 352 -6.735 -8.824 3.880 1.00 73.32 H new ATOM 0 HD22 LEU A 352 -6.017 -7.357 3.174 1.00 73.32 H new ATOM 0 HD23 LEU A 352 -6.296 -8.790 2.156 1.00 73.32 H new ATOM 161 N ILE A 353 -1.757 -8.304 -0.139 1.00 22.23 N ATOM 162 CA ILE A 353 -0.785 -7.565 -0.948 1.00 34.04 C ATOM 163 C ILE A 353 -1.407 -7.235 -2.295 1.00 3.03 C ATOM 164 O ILE A 353 -1.219 -6.143 -2.832 1.00 21.34 O ATOM 165 CB ILE A 353 0.530 -8.373 -1.165 1.00 35.43 C ATOM 166 CG1 ILE A 353 1.217 -8.687 0.167 1.00 70.31 C ATOM 167 CG2 ILE A 353 1.483 -7.609 -2.060 1.00 14.20 C ATOM 168 CD1 ILE A 353 2.389 -9.628 0.042 1.00 65.45 C ATOM 0 H ILE A 353 -1.456 -9.243 0.123 1.00 22.23 H new ATOM 0 HA ILE A 353 -0.525 -6.652 -0.412 1.00 34.04 H new ATOM 0 HB ILE A 353 0.261 -9.313 -1.646 1.00 35.43 H new ATOM 0 HG12 ILE A 353 1.558 -7.755 0.617 1.00 70.31 H new ATOM 0 HG13 ILE A 353 0.486 -9.121 0.849 1.00 70.31 H new ATOM 0 HG21 ILE A 353 2.395 -8.189 -2.200 1.00 14.20 H new ATOM 0 HG22 ILE A 353 1.012 -7.434 -3.028 1.00 14.20 H new ATOM 0 HG23 ILE A 353 1.728 -6.653 -1.598 1.00 14.20 H new ATOM 0 HD11 ILE A 353 2.823 -9.802 1.027 1.00 65.45 H new ATOM 0 HD12 ILE A 353 2.052 -10.575 -0.378 1.00 65.45 H new ATOM 0 HD13 ILE A 353 3.141 -9.188 -0.613 1.00 65.45 H new ATOM 180 N ALA A 354 -2.166 -8.186 -2.828 1.00 62.32 N ATOM 181 CA ALA A 354 -2.879 -7.968 -4.064 1.00 21.10 C ATOM 182 C ALA A 354 -3.827 -6.789 -3.936 1.00 64.32 C ATOM 183 O ALA A 354 -3.894 -5.982 -4.827 1.00 43.33 O ATOM 184 CB ALA A 354 -3.616 -9.211 -4.526 1.00 1.43 C ATOM 0 H ALA A 354 -2.298 -9.111 -2.418 1.00 62.32 H new ATOM 0 HA ALA A 354 -2.138 -7.735 -4.829 1.00 21.10 H new ATOM 0 HB1 ALA A 354 -4.138 -8.999 -5.459 1.00 1.43 H new ATOM 0 HB2 ALA A 354 -2.902 -10.019 -4.685 1.00 1.43 H new ATOM 0 HB3 ALA A 354 -4.339 -9.509 -3.766 1.00 1.43 H new ATOM 190 N LYS A 355 -4.530 -6.681 -2.793 1.00 62.32 N ATOM 191 CA LYS A 355 -5.443 -5.539 -2.546 1.00 11.32 C ATOM 192 C LYS A 355 -4.693 -4.218 -2.637 1.00 22.32 C ATOM 193 O LYS A 355 -5.228 -3.214 -3.161 1.00 10.33 O ATOM 194 CB LYS A 355 -6.091 -5.600 -1.164 1.00 23.10 C ATOM 195 CG LYS A 355 -7.070 -6.663 -0.901 1.00 42.53 C ATOM 196 CD LYS A 355 -7.550 -6.452 0.499 1.00 21.52 C ATOM 197 CE LYS A 355 -8.585 -7.418 0.898 1.00 42.43 C ATOM 198 NZ LYS A 355 -9.821 -7.264 0.114 1.00 32.10 N ATOM 0 H LYS A 355 -4.488 -7.359 -2.032 1.00 62.32 H new ATOM 0 HA LYS A 355 -6.216 -5.604 -3.312 1.00 11.32 H new ATOM 0 HB2 LYS A 355 -5.294 -5.692 -0.427 1.00 23.10 H new ATOM 0 HB3 LYS A 355 -6.582 -4.644 -0.984 1.00 23.10 H new ATOM 0 HG2 LYS A 355 -7.898 -6.613 -1.608 1.00 42.53 H new ATOM 0 HG3 LYS A 355 -6.615 -7.647 -1.012 1.00 42.53 H new ATOM 0 HD2 LYS A 355 -6.705 -6.528 1.183 1.00 21.52 H new ATOM 0 HD3 LYS A 355 -7.947 -5.441 0.594 1.00 21.52 H new ATOM 0 HE2 LYS A 355 -8.202 -8.431 0.774 1.00 42.43 H new ATOM 0 HE3 LYS A 355 -8.810 -7.290 1.957 1.00 42.43 H new ATOM 0 HZ1 LYS A 355 -10.584 -7.816 0.556 1.00 32.10 H new ATOM 0 HZ2 LYS A 355 -10.092 -6.260 0.086 1.00 32.10 H new ATOM 0 HZ3 LYS A 355 -9.662 -7.607 -0.855 1.00 32.10 H new ATOM 212 N ALA A 356 -3.468 -4.212 -2.123 1.00 65.40 N ATOM 213 CA ALA A 356 -2.629 -3.037 -2.156 1.00 5.12 C ATOM 214 C ALA A 356 -2.332 -2.679 -3.585 1.00 4.34 C ATOM 215 O ALA A 356 -2.620 -1.559 -4.026 1.00 23.11 O ATOM 216 CB ALA A 356 -1.335 -3.284 -1.385 1.00 44.00 C ATOM 0 H ALA A 356 -3.037 -5.021 -1.676 1.00 65.40 H new ATOM 0 HA ALA A 356 -3.152 -2.207 -1.680 1.00 5.12 H new ATOM 0 HB1 ALA A 356 -0.714 -2.389 -1.420 1.00 44.00 H new ATOM 0 HB2 ALA A 356 -1.569 -3.523 -0.348 1.00 44.00 H new ATOM 0 HB3 ALA A 356 -0.796 -4.117 -1.836 1.00 44.00 H new ATOM 222 N LEU A 357 -1.823 -3.659 -4.326 1.00 33.14 N ATOM 223 CA LEU A 357 -1.527 -3.500 -5.745 1.00 20.21 C ATOM 224 C LEU A 357 -2.760 -3.040 -6.492 1.00 12.20 C ATOM 225 O LEU A 357 -2.694 -2.134 -7.300 1.00 14.15 O ATOM 226 CB LEU A 357 -1.039 -4.829 -6.362 1.00 52.31 C ATOM 227 CG LEU A 357 0.454 -5.150 -6.309 1.00 3.31 C ATOM 228 CD1 LEU A 357 1.203 -4.217 -7.231 1.00 14.15 C ATOM 229 CD2 LEU A 357 0.993 -5.042 -4.900 1.00 72.01 C ATOM 0 H LEU A 357 -1.604 -4.585 -3.959 1.00 33.14 H new ATOM 0 HA LEU A 357 -0.739 -2.752 -5.835 1.00 20.21 H new ATOM 0 HB2 LEU A 357 -1.571 -5.641 -5.865 1.00 52.31 H new ATOM 0 HB3 LEU A 357 -1.344 -4.841 -7.408 1.00 52.31 H new ATOM 0 HG LEU A 357 0.597 -6.180 -6.637 1.00 3.31 H new ATOM 0 HD11 LEU A 357 2.268 -4.446 -7.193 1.00 14.15 H new ATOM 0 HD12 LEU A 357 0.840 -4.345 -8.251 1.00 14.15 H new ATOM 0 HD13 LEU A 357 1.042 -3.186 -6.915 1.00 14.15 H new ATOM 0 HD21 LEU A 357 2.057 -5.277 -4.899 1.00 72.01 H new ATOM 0 HD22 LEU A 357 0.845 -4.027 -4.530 1.00 72.01 H new ATOM 0 HD23 LEU A 357 0.466 -5.744 -4.254 1.00 72.01 H new ATOM 241 N LYS A 358 -3.893 -3.668 -6.183 1.00 64.05 N ATOM 242 CA LYS A 358 -5.157 -3.371 -6.805 1.00 65.10 C ATOM 243 C LYS A 358 -5.617 -1.928 -6.636 1.00 50.21 C ATOM 244 O LYS A 358 -6.472 -1.464 -7.374 1.00 21.21 O ATOM 245 CB LYS A 358 -6.241 -4.340 -6.361 1.00 61.31 C ATOM 246 CG LYS A 358 -6.038 -5.751 -6.865 1.00 10.13 C ATOM 247 CD LYS A 358 -7.135 -6.662 -6.382 1.00 52.03 C ATOM 248 CE LYS A 358 -6.949 -8.084 -6.880 1.00 52.10 C ATOM 249 NZ LYS A 358 -8.015 -8.979 -6.391 1.00 14.31 N ATOM 0 H LYS A 358 -3.947 -4.407 -5.481 1.00 64.05 H new ATOM 0 HA LYS A 358 -4.982 -3.503 -7.873 1.00 65.10 H new ATOM 0 HB2 LYS A 358 -6.279 -4.355 -5.272 1.00 61.31 H new ATOM 0 HB3 LYS A 358 -7.207 -3.975 -6.709 1.00 61.31 H new ATOM 0 HG2 LYS A 358 -6.014 -5.751 -7.955 1.00 10.13 H new ATOM 0 HG3 LYS A 358 -5.073 -6.127 -6.525 1.00 10.13 H new ATOM 0 HD2 LYS A 358 -7.156 -6.659 -5.292 1.00 52.03 H new ATOM 0 HD3 LYS A 358 -8.099 -6.282 -6.721 1.00 52.03 H new ATOM 0 HE2 LYS A 358 -6.941 -8.089 -7.970 1.00 52.10 H new ATOM 0 HE3 LYS A 358 -5.980 -8.460 -6.552 1.00 52.10 H new ATOM 0 HZ1 LYS A 358 -7.854 -9.941 -6.752 1.00 14.31 H new ATOM 0 HZ2 LYS A 358 -8.006 -8.994 -5.351 1.00 14.31 H new ATOM 0 HZ3 LYS A 358 -8.938 -8.634 -6.725 1.00 14.31 H new ATOM 263 N SER A 359 -5.037 -1.212 -5.691 1.00 14.22 N ATOM 264 CA SER A 359 -5.385 0.150 -5.459 1.00 71.14 C ATOM 265 C SER A 359 -4.758 1.076 -6.533 1.00 63.34 C ATOM 266 O SER A 359 -5.015 2.283 -6.561 1.00 3.12 O ATOM 267 CB SER A 359 -4.923 0.526 -4.064 1.00 1.52 C ATOM 268 OG SER A 359 -5.502 -0.349 -3.090 1.00 20.53 O ATOM 0 H SER A 359 -4.312 -1.572 -5.070 1.00 14.22 H new ATOM 0 HA SER A 359 -6.465 0.276 -5.532 1.00 71.14 H new ATOM 0 HB2 SER A 359 -3.836 0.473 -4.008 1.00 1.52 H new ATOM 0 HB3 SER A 359 -5.203 1.557 -3.847 1.00 1.52 H new ATOM 0 HG SER A 359 -5.154 -1.256 -3.218 1.00 20.53 H new ATOM 274 N THR A 360 -3.940 0.495 -7.401 1.00 43.32 N ATOM 275 CA THR A 360 -3.300 1.219 -8.469 1.00 73.50 C ATOM 276 C THR A 360 -2.774 0.178 -9.502 1.00 52.25 C ATOM 277 O THR A 360 -1.773 0.383 -10.195 1.00 24.43 O ATOM 278 CB THR A 360 -2.135 2.076 -7.883 1.00 15.35 C ATOM 279 OG1 THR A 360 -1.591 2.944 -8.889 1.00 35.33 O ATOM 280 CG2 THR A 360 -1.038 1.185 -7.313 1.00 1.31 C ATOM 0 H THR A 360 -3.707 -0.498 -7.376 1.00 43.32 H new ATOM 0 HA THR A 360 -3.997 1.896 -8.963 1.00 73.50 H new ATOM 0 HB THR A 360 -2.540 2.685 -7.075 1.00 15.35 H new ATOM 0 HG1 THR A 360 -1.378 2.422 -9.691 1.00 35.33 H new ATOM 0 HG21 THR A 360 -0.237 1.806 -6.911 1.00 1.31 H new ATOM 0 HG22 THR A 360 -1.450 0.564 -6.518 1.00 1.31 H new ATOM 0 HG23 THR A 360 -0.641 0.547 -8.102 1.00 1.31 H new ATOM 288 N PHE A 361 -3.563 -0.884 -9.665 1.00 53.23 N ATOM 289 CA PHE A 361 -3.194 -2.102 -10.424 1.00 31.21 C ATOM 290 C PHE A 361 -2.983 -1.800 -11.886 1.00 63.35 C ATOM 291 O PHE A 361 -2.316 -2.556 -12.607 1.00 61.34 O ATOM 292 CB PHE A 361 -4.328 -3.096 -10.314 1.00 23.21 C ATOM 293 CG PHE A 361 -3.919 -4.541 -10.438 1.00 1.01 C ATOM 294 CD1 PHE A 361 -3.339 -5.193 -9.361 1.00 60.23 C ATOM 295 CD2 PHE A 361 -4.127 -5.250 -11.610 1.00 42.40 C ATOM 296 CE1 PHE A 361 -2.979 -6.513 -9.444 1.00 24.45 C ATOM 297 CE2 PHE A 361 -3.768 -6.583 -11.700 1.00 41.44 C ATOM 298 CZ PHE A 361 -3.194 -7.215 -10.613 1.00 34.33 C ATOM 0 H PHE A 361 -4.501 -0.933 -9.267 1.00 53.23 H new ATOM 0 HA PHE A 361 -2.266 -2.496 -10.009 1.00 31.21 H new ATOM 0 HB2 PHE A 361 -4.824 -2.955 -9.354 1.00 23.21 H new ATOM 0 HB3 PHE A 361 -5.063 -2.874 -11.088 1.00 23.21 H new ATOM 0 HD1 PHE A 361 -3.168 -4.652 -8.442 1.00 60.23 H new ATOM 0 HD2 PHE A 361 -4.574 -4.758 -12.461 1.00 42.40 H new ATOM 0 HE1 PHE A 361 -2.527 -7.004 -8.595 1.00 24.45 H new ATOM 0 HE2 PHE A 361 -3.936 -7.128 -12.617 1.00 41.44 H new ATOM 0 HZ PHE A 361 -2.914 -8.256 -10.678 1.00 34.33 H new ATOM 308 N ASP A 362 -3.517 -0.686 -12.312 1.00 74.13 N ATOM 309 CA ASP A 362 -3.458 -0.300 -13.713 1.00 31.41 C ATOM 310 C ASP A 362 -2.110 0.282 -14.034 1.00 22.13 C ATOM 311 O ASP A 362 -1.770 0.506 -15.191 1.00 2.13 O ATOM 312 CB ASP A 362 -4.563 0.696 -14.077 1.00 45.54 C ATOM 313 CG ASP A 362 -5.955 0.146 -13.891 1.00 44.35 C ATOM 314 OD1 ASP A 362 -6.416 -0.647 -14.729 1.00 32.01 O ATOM 315 OD2 ASP A 362 -6.631 0.524 -12.907 1.00 21.43 O ATOM 0 H ASP A 362 -4.003 -0.020 -11.711 1.00 74.13 H new ATOM 0 HA ASP A 362 -3.615 -1.199 -14.309 1.00 31.41 H new ATOM 0 HB2 ASP A 362 -4.450 1.591 -13.465 1.00 45.54 H new ATOM 0 HB3 ASP A 362 -4.438 1.002 -15.116 1.00 45.54 H new ATOM 320 N GLY A 363 -1.350 0.538 -13.009 1.00 13.35 N ATOM 321 CA GLY A 363 -0.029 1.025 -13.176 1.00 23.15 C ATOM 322 C GLY A 363 0.952 0.128 -12.485 1.00 25.30 C ATOM 323 O GLY A 363 1.283 -0.952 -12.992 1.00 13.32 O ATOM 0 H GLY A 363 -1.637 0.412 -12.038 1.00 13.35 H new ATOM 0 HA2 GLY A 363 0.211 1.087 -14.238 1.00 23.15 H new ATOM 0 HA3 GLY A 363 0.046 2.035 -12.773 1.00 23.15 H new ATOM 327 N ARG A 364 1.401 0.539 -11.327 1.00 42.32 N ATOM 328 CA ARG A 364 2.375 -0.212 -10.568 1.00 20.23 C ATOM 329 C ARG A 364 2.331 0.230 -9.124 1.00 0.44 C ATOM 330 O ARG A 364 1.869 1.340 -8.841 1.00 43.40 O ATOM 331 CB ARG A 364 3.794 0.000 -11.193 1.00 31.11 C ATOM 332 CG ARG A 364 4.319 1.464 -11.251 1.00 20.21 C ATOM 333 CD ARG A 364 4.717 1.980 -9.880 1.00 62.23 C ATOM 334 NE ARG A 364 5.018 3.399 -9.856 1.00 41.30 N ATOM 335 CZ ARG A 364 4.466 4.253 -8.986 1.00 71.14 C ATOM 336 NH1 ARG A 364 3.443 3.857 -8.215 1.00 34.44 N ATOM 337 NH2 ARG A 364 4.888 5.505 -8.921 1.00 62.01 N ATOM 0 H ARG A 364 1.102 1.406 -10.880 1.00 42.32 H new ATOM 0 HA ARG A 364 2.146 -1.277 -10.603 1.00 20.23 H new ATOM 0 HB2 ARG A 364 4.509 -0.596 -10.625 1.00 31.11 H new ATOM 0 HB3 ARG A 364 3.782 -0.398 -12.208 1.00 31.11 H new ATOM 0 HG2 ARG A 364 5.177 1.515 -11.921 1.00 20.21 H new ATOM 0 HG3 ARG A 364 3.548 2.109 -11.671 1.00 20.21 H new ATOM 0 HD2 ARG A 364 3.910 1.777 -9.177 1.00 62.23 H new ATOM 0 HD3 ARG A 364 5.589 1.427 -9.532 1.00 62.23 H new ATOM 0 HE ARG A 364 5.684 3.764 -10.537 1.00 41.30 H new ATOM 0 HH11 ARG A 364 3.085 2.905 -8.292 1.00 34.44 H new ATOM 0 HH12 ARG A 364 3.022 4.508 -7.552 1.00 34.44 H new ATOM 0 HH21 ARG A 364 5.637 5.823 -9.536 1.00 62.01 H new ATOM 0 HH22 ARG A 364 4.464 6.152 -8.256 1.00 62.01 H new ATOM 351 N MET A 365 2.816 -0.580 -8.219 1.00 54.02 N ATOM 352 CA MET A 365 2.888 -0.145 -6.849 1.00 3.24 C ATOM 353 C MET A 365 4.287 -0.362 -6.383 1.00 3.45 C ATOM 354 O MET A 365 4.912 -1.370 -6.727 1.00 62.35 O ATOM 355 CB MET A 365 1.932 -0.910 -5.939 1.00 32.33 C ATOM 356 CG MET A 365 1.570 -0.148 -4.700 1.00 4.43 C ATOM 357 SD MET A 365 0.421 -1.001 -3.653 1.00 31.14 S ATOM 358 CE MET A 365 0.058 0.294 -2.485 1.00 42.24 C ATOM 0 H MET A 365 3.160 -1.523 -8.399 1.00 54.02 H new ATOM 0 HA MET A 365 2.598 0.905 -6.802 1.00 3.24 H new ATOM 0 HB2 MET A 365 1.023 -1.147 -6.492 1.00 32.33 H new ATOM 0 HB3 MET A 365 2.389 -1.858 -5.656 1.00 32.33 H new ATOM 0 HG2 MET A 365 2.478 0.062 -4.134 1.00 4.43 H new ATOM 0 HG3 MET A 365 1.143 0.813 -4.986 1.00 4.43 H new ATOM 0 HE1 MET A 365 0.449 0.020 -1.505 1.00 42.24 H new ATOM 0 HE2 MET A 365 0.524 1.223 -2.815 1.00 42.24 H new ATOM 0 HE3 MET A 365 -1.021 0.433 -2.419 1.00 42.24 H new ATOM 368 N ARG A 366 4.801 0.565 -5.654 1.00 53.22 N ATOM 369 CA ARG A 366 6.120 0.430 -5.146 1.00 23.43 C ATOM 370 C ARG A 366 6.108 -0.365 -3.874 1.00 2.33 C ATOM 371 O ARG A 366 5.135 -0.322 -3.114 1.00 3.44 O ATOM 372 CB ARG A 366 6.745 1.767 -4.970 1.00 61.24 C ATOM 373 CG ARG A 366 6.936 2.451 -6.299 1.00 34.15 C ATOM 374 CD ARG A 366 7.510 3.787 -6.127 1.00 32.02 C ATOM 375 NE ARG A 366 6.600 4.672 -5.399 1.00 52.52 N ATOM 376 CZ ARG A 366 6.939 5.832 -4.825 1.00 3.02 C ATOM 377 NH1 ARG A 366 8.183 6.299 -4.937 1.00 63.33 N ATOM 378 NH2 ARG A 366 6.028 6.525 -4.151 1.00 42.04 N ATOM 0 H ARG A 366 4.325 1.429 -5.395 1.00 53.22 H new ATOM 0 HA ARG A 366 6.730 -0.118 -5.864 1.00 23.43 H new ATOM 0 HB2 ARG A 366 6.118 2.384 -4.326 1.00 61.24 H new ATOM 0 HB3 ARG A 366 7.708 1.660 -4.470 1.00 61.24 H new ATOM 0 HG2 ARG A 366 7.590 1.849 -6.930 1.00 34.15 H new ATOM 0 HG3 ARG A 366 5.978 2.527 -6.813 1.00 34.15 H new ATOM 0 HD2 ARG A 366 8.455 3.712 -5.588 1.00 32.02 H new ATOM 0 HD3 ARG A 366 7.733 4.217 -7.104 1.00 32.02 H new ATOM 0 HE ARG A 366 5.626 4.380 -5.323 1.00 52.52 H new ATOM 0 HH11 ARG A 366 8.880 5.771 -5.462 1.00 63.33 H new ATOM 0 HH12 ARG A 366 8.437 7.184 -4.498 1.00 63.33 H new ATOM 0 HH21 ARG A 366 5.074 6.172 -4.073 1.00 42.04 H new ATOM 0 HH22 ARG A 366 6.282 7.410 -3.712 1.00 42.04 H new ATOM 392 N LEU A 367 7.166 -1.089 -3.648 1.00 54.03 N ATOM 393 CA LEU A 367 7.287 -1.992 -2.515 1.00 71.44 C ATOM 394 C LEU A 367 7.086 -1.286 -1.154 1.00 71.32 C ATOM 395 O LEU A 367 6.424 -1.828 -0.265 1.00 0.23 O ATOM 396 CB LEU A 367 8.603 -2.766 -2.641 1.00 63.24 C ATOM 397 CG LEU A 367 8.984 -3.797 -1.569 1.00 23.31 C ATOM 398 CD1 LEU A 367 7.828 -4.732 -1.233 1.00 43.24 C ATOM 399 CD2 LEU A 367 10.118 -4.620 -2.124 1.00 73.05 C ATOM 0 H LEU A 367 7.989 -1.076 -4.250 1.00 54.03 H new ATOM 0 HA LEU A 367 6.471 -2.715 -2.538 1.00 71.44 H new ATOM 0 HB2 LEU A 367 8.586 -3.284 -3.600 1.00 63.24 H new ATOM 0 HB3 LEU A 367 9.409 -2.033 -2.689 1.00 63.24 H new ATOM 0 HG LEU A 367 9.258 -3.270 -0.655 1.00 23.31 H new ATOM 0 HD11 LEU A 367 8.145 -5.443 -0.470 1.00 43.24 H new ATOM 0 HD12 LEU A 367 6.986 -4.150 -0.858 1.00 43.24 H new ATOM 0 HD13 LEU A 367 7.525 -5.273 -2.130 1.00 43.24 H new ATOM 0 HD21 LEU A 367 10.419 -5.367 -1.389 1.00 73.05 H new ATOM 0 HD22 LEU A 367 9.793 -5.119 -3.037 1.00 73.05 H new ATOM 0 HD23 LEU A 367 10.964 -3.970 -2.348 1.00 73.05 H new ATOM 411 N ASN A 368 7.600 -0.066 -1.014 1.00 25.12 N ATOM 412 CA ASN A 368 7.378 0.706 0.225 1.00 42.41 C ATOM 413 C ASN A 368 5.922 1.131 0.369 1.00 33.45 C ATOM 414 O ASN A 368 5.405 1.233 1.482 1.00 3.21 O ATOM 415 CB ASN A 368 8.299 1.939 0.353 1.00 31.22 C ATOM 416 CG ASN A 368 9.763 1.597 0.564 1.00 13.24 C ATOM 417 OD1 ASN A 368 10.214 1.411 1.699 1.00 11.10 O ATOM 418 ND2 ASN A 368 10.516 1.557 -0.496 1.00 54.20 N ATOM 0 H ASN A 368 8.162 0.408 -1.721 1.00 25.12 H new ATOM 0 HA ASN A 368 7.634 0.026 1.037 1.00 42.41 H new ATOM 0 HB2 ASN A 368 8.204 2.545 -0.548 1.00 31.22 H new ATOM 0 HB3 ASN A 368 7.956 2.551 1.187 1.00 31.22 H new ATOM 0 HD21 ASN A 368 11.514 1.367 -0.406 1.00 54.20 H new ATOM 0 HD22 ASN A 368 10.108 1.716 -1.417 1.00 54.20 H new ATOM 425 N GLU A 369 5.252 1.334 -0.757 1.00 43.25 N ATOM 426 CA GLU A 369 3.862 1.775 -0.754 1.00 33.03 C ATOM 427 C GLU A 369 2.954 0.641 -0.347 1.00 11.44 C ATOM 428 O GLU A 369 1.949 0.857 0.313 1.00 62.32 O ATOM 429 CB GLU A 369 3.465 2.323 -2.104 1.00 64.10 C ATOM 430 CG GLU A 369 4.344 3.455 -2.563 1.00 12.14 C ATOM 431 CD GLU A 369 3.934 3.994 -3.889 1.00 63.23 C ATOM 432 OE1 GLU A 369 3.960 3.243 -4.881 1.00 43.34 O ATOM 433 OE2 GLU A 369 3.579 5.180 -3.970 1.00 13.52 O ATOM 0 H GLU A 369 5.649 1.200 -1.687 1.00 43.25 H new ATOM 0 HA GLU A 369 3.759 2.579 -0.025 1.00 33.03 H new ATOM 0 HB2 GLU A 369 3.502 1.520 -2.841 1.00 64.10 H new ATOM 0 HB3 GLU A 369 2.432 2.668 -2.060 1.00 64.10 H new ATOM 0 HG2 GLU A 369 4.315 4.256 -1.824 1.00 12.14 H new ATOM 0 HG3 GLU A 369 5.376 3.110 -2.618 1.00 12.14 H new ATOM 440 N ILE A 370 3.306 -0.568 -0.769 1.00 52.54 N ATOM 441 CA ILE A 370 2.632 -1.784 -0.311 1.00 72.35 C ATOM 442 C ILE A 370 2.628 -1.827 1.214 1.00 32.21 C ATOM 443 O ILE A 370 1.594 -2.068 1.831 1.00 30.11 O ATOM 444 CB ILE A 370 3.364 -3.024 -0.883 1.00 55.52 C ATOM 445 CG1 ILE A 370 3.167 -3.065 -2.396 1.00 75.41 C ATOM 446 CG2 ILE A 370 2.916 -4.355 -0.217 1.00 65.02 C ATOM 447 CD1 ILE A 370 3.962 -4.123 -3.060 1.00 23.44 C ATOM 0 H ILE A 370 4.061 -0.736 -1.434 1.00 52.54 H new ATOM 0 HA ILE A 370 1.600 -1.786 -0.663 1.00 72.35 H new ATOM 0 HB ILE A 370 4.425 -2.925 -0.652 1.00 55.52 H new ATOM 0 HG12 ILE A 370 2.111 -3.223 -2.614 1.00 75.41 H new ATOM 0 HG13 ILE A 370 3.439 -2.097 -2.817 1.00 75.41 H new ATOM 0 HG21 ILE A 370 3.464 -5.186 -0.660 1.00 65.02 H new ATOM 0 HG22 ILE A 370 3.122 -4.314 0.853 1.00 65.02 H new ATOM 0 HG23 ILE A 370 1.847 -4.500 -0.376 1.00 65.02 H new ATOM 0 HD11 ILE A 370 3.776 -4.098 -4.134 1.00 23.44 H new ATOM 0 HD12 ILE A 370 5.022 -3.954 -2.871 1.00 23.44 H new ATOM 0 HD13 ILE A 370 3.674 -5.097 -2.665 1.00 23.44 H new ATOM 459 N TYR A 371 3.778 -1.542 1.812 1.00 32.34 N ATOM 460 CA TYR A 371 3.886 -1.502 3.265 1.00 74.23 C ATOM 461 C TYR A 371 2.991 -0.405 3.841 1.00 25.15 C ATOM 462 O TYR A 371 2.296 -0.609 4.840 1.00 22.15 O ATOM 463 CB TYR A 371 5.337 -1.300 3.724 1.00 51.34 C ATOM 464 CG TYR A 371 6.304 -2.375 3.266 1.00 43.43 C ATOM 465 CD1 TYR A 371 5.999 -3.721 3.394 1.00 41.23 C ATOM 466 CD2 TYR A 371 7.538 -2.037 2.729 1.00 40.24 C ATOM 467 CE1 TYR A 371 6.888 -4.690 2.996 1.00 1.22 C ATOM 468 CE2 TYR A 371 8.432 -3.006 2.326 1.00 55.12 C ATOM 469 CZ TYR A 371 8.100 -4.330 2.462 1.00 61.31 C ATOM 470 OH TYR A 371 8.986 -5.301 2.064 1.00 64.43 O ATOM 0 H TYR A 371 4.645 -1.336 1.316 1.00 32.34 H new ATOM 0 HA TYR A 371 3.550 -2.468 3.642 1.00 74.23 H new ATOM 0 HB2 TYR A 371 5.688 -0.335 3.358 1.00 51.34 H new ATOM 0 HB3 TYR A 371 5.356 -1.254 4.813 1.00 51.34 H new ATOM 0 HD1 TYR A 371 5.047 -4.013 3.813 1.00 41.23 H new ATOM 0 HD2 TYR A 371 7.803 -0.995 2.625 1.00 40.24 H new ATOM 0 HE1 TYR A 371 6.633 -5.734 3.103 1.00 1.22 H new ATOM 0 HE2 TYR A 371 9.387 -2.725 1.906 1.00 55.12 H new ATOM 0 HH TYR A 371 9.795 -4.879 1.707 1.00 64.43 H new ATOM 480 N ASN A 372 2.994 0.743 3.183 1.00 32.33 N ATOM 481 CA ASN A 372 2.163 1.892 3.591 1.00 74.52 C ATOM 482 C ASN A 372 0.693 1.521 3.581 1.00 63.40 C ATOM 483 O ASN A 372 -0.053 1.888 4.489 1.00 61.45 O ATOM 484 CB ASN A 372 2.379 3.121 2.688 1.00 14.24 C ATOM 485 CG ASN A 372 3.782 3.685 2.739 1.00 50.54 C ATOM 486 OD1 ASN A 372 4.474 3.588 3.746 1.00 53.21 O ATOM 487 ND2 ASN A 372 4.204 4.300 1.661 1.00 61.33 N ATOM 0 H ASN A 372 3.564 0.916 2.355 1.00 32.33 H new ATOM 0 HA ASN A 372 2.473 2.154 4.603 1.00 74.52 H new ATOM 0 HB2 ASN A 372 2.146 2.848 1.659 1.00 14.24 H new ATOM 0 HB3 ASN A 372 1.675 3.900 2.979 1.00 14.24 H new ATOM 0 HD21 ASN A 372 5.135 4.716 1.643 1.00 61.33 H new ATOM 0 HD22 ASN A 372 3.601 4.362 0.840 1.00 61.33 H new ATOM 494 N TRP A 373 0.285 0.776 2.549 1.00 34.31 N ATOM 495 CA TRP A 373 -1.087 0.315 2.402 1.00 70.03 C ATOM 496 C TRP A 373 -1.515 -0.465 3.628 1.00 3.14 C ATOM 497 O TRP A 373 -2.588 -0.209 4.189 1.00 13.44 O ATOM 498 CB TRP A 373 -1.233 -0.565 1.152 1.00 14.21 C ATOM 499 CG TRP A 373 -2.637 -1.081 0.915 1.00 21.11 C ATOM 500 CD1 TRP A 373 -3.587 -0.527 0.109 1.00 74.41 C ATOM 501 CD2 TRP A 373 -3.238 -2.261 1.490 1.00 3.01 C ATOM 502 NE1 TRP A 373 -4.734 -1.283 0.143 1.00 4.32 N ATOM 503 CE2 TRP A 373 -4.544 -2.353 0.988 1.00 35.22 C ATOM 504 CE3 TRP A 373 -2.790 -3.241 2.379 1.00 15.35 C ATOM 505 CZ2 TRP A 373 -5.408 -3.390 1.351 1.00 42.34 C ATOM 506 CZ3 TRP A 373 -3.644 -4.262 2.733 1.00 11.22 C ATOM 507 CH2 TRP A 373 -4.936 -4.330 2.220 1.00 63.32 C ATOM 0 H TRP A 373 0.903 0.478 1.794 1.00 34.31 H new ATOM 0 HA TRP A 373 -1.728 1.190 2.293 1.00 70.03 H new ATOM 0 HB2 TRP A 373 -0.916 0.007 0.280 1.00 14.21 H new ATOM 0 HB3 TRP A 373 -0.556 -1.415 1.239 1.00 14.21 H new ATOM 0 HD1 TRP A 373 -3.457 0.374 -0.471 1.00 74.41 H new ATOM 0 HE1 TRP A 373 -5.590 -1.083 -0.375 1.00 4.32 H new ATOM 0 HE3 TRP A 373 -1.789 -3.199 2.783 1.00 15.35 H new ATOM 0 HZ2 TRP A 373 -6.412 -3.445 0.958 1.00 42.34 H new ATOM 0 HZ3 TRP A 373 -3.305 -5.023 3.420 1.00 11.22 H new ATOM 0 HH2 TRP A 373 -5.579 -5.145 2.516 1.00 63.32 H new ATOM 518 N PHE A 374 -0.681 -1.410 4.043 1.00 41.21 N ATOM 519 CA PHE A 374 -0.975 -2.240 5.204 1.00 54.21 C ATOM 520 C PHE A 374 -1.130 -1.429 6.463 1.00 0.31 C ATOM 521 O PHE A 374 -2.071 -1.624 7.209 1.00 25.32 O ATOM 522 CB PHE A 374 0.057 -3.348 5.403 1.00 71.10 C ATOM 523 CG PHE A 374 -0.047 -4.494 4.443 1.00 34.54 C ATOM 524 CD1 PHE A 374 -0.841 -5.583 4.749 1.00 31.02 C ATOM 525 CD2 PHE A 374 0.647 -4.497 3.254 1.00 44.00 C ATOM 526 CE1 PHE A 374 -0.944 -6.648 3.888 1.00 32.11 C ATOM 527 CE2 PHE A 374 0.548 -5.562 2.382 1.00 71.13 C ATOM 528 CZ PHE A 374 -0.250 -6.639 2.703 1.00 61.43 C ATOM 0 H PHE A 374 0.208 -1.621 3.590 1.00 41.21 H new ATOM 0 HA PHE A 374 -1.934 -2.714 4.994 1.00 54.21 H new ATOM 0 HB2 PHE A 374 1.053 -2.914 5.320 1.00 71.10 H new ATOM 0 HB3 PHE A 374 -0.039 -3.734 6.418 1.00 71.10 H new ATOM 0 HD1 PHE A 374 -1.389 -5.597 5.680 1.00 31.02 H new ATOM 0 HD2 PHE A 374 1.276 -3.656 3.001 1.00 44.00 H new ATOM 0 HE1 PHE A 374 -1.570 -7.491 4.142 1.00 32.11 H new ATOM 0 HE2 PHE A 374 1.094 -5.552 1.450 1.00 71.13 H new ATOM 0 HZ PHE A 374 -0.329 -7.475 2.024 1.00 61.43 H new ATOM 538 N ALA A 375 -0.235 -0.510 6.681 1.00 11.11 N ATOM 539 CA ALA A 375 -0.283 0.328 7.878 1.00 11.04 C ATOM 540 C ALA A 375 -1.525 1.228 7.864 1.00 2.52 C ATOM 541 O ALA A 375 -2.149 1.490 8.902 1.00 33.54 O ATOM 542 CB ALA A 375 0.979 1.160 7.976 1.00 61.40 C ATOM 0 H ALA A 375 0.544 -0.310 6.054 1.00 11.11 H new ATOM 0 HA ALA A 375 -0.348 -0.318 8.754 1.00 11.04 H new ATOM 0 HB1 ALA A 375 0.936 1.782 8.870 1.00 61.40 H new ATOM 0 HB2 ALA A 375 1.846 0.501 8.033 1.00 61.40 H new ATOM 0 HB3 ALA A 375 1.065 1.796 7.095 1.00 61.40 H new ATOM 548 N SER A 376 -1.872 1.672 6.693 1.00 20.43 N ATOM 549 CA SER A 376 -2.991 2.555 6.487 1.00 63.03 C ATOM 550 C SER A 376 -4.345 1.812 6.613 1.00 41.25 C ATOM 551 O SER A 376 -5.285 2.332 7.212 1.00 44.02 O ATOM 552 CB SER A 376 -2.856 3.222 5.101 1.00 13.53 C ATOM 553 OG SER A 376 -3.870 4.187 4.862 1.00 34.22 O ATOM 0 H SER A 376 -1.378 1.428 5.834 1.00 20.43 H new ATOM 0 HA SER A 376 -2.980 3.318 7.265 1.00 63.03 H new ATOM 0 HB2 SER A 376 -1.879 3.699 5.024 1.00 13.53 H new ATOM 0 HB3 SER A 376 -2.898 2.456 4.327 1.00 13.53 H new ATOM 0 HG SER A 376 -3.742 4.583 3.975 1.00 34.22 H new ATOM 559 N ASN A 377 -4.437 0.603 6.068 1.00 33.33 N ATOM 560 CA ASN A 377 -5.723 -0.115 6.055 1.00 44.33 C ATOM 561 C ASN A 377 -5.868 -1.106 7.195 1.00 21.14 C ATOM 562 O ASN A 377 -6.983 -1.405 7.624 1.00 31.22 O ATOM 563 CB ASN A 377 -5.953 -0.822 4.702 1.00 42.32 C ATOM 564 CG ASN A 377 -6.169 0.143 3.549 1.00 44.02 C ATOM 565 OD1 ASN A 377 -7.310 0.500 3.217 1.00 72.02 O ATOM 566 ND2 ASN A 377 -5.100 0.578 2.941 1.00 35.32 N ATOM 0 H ASN A 377 -3.660 0.102 5.637 1.00 33.33 H new ATOM 0 HA ASN A 377 -6.490 0.646 6.197 1.00 44.33 H new ATOM 0 HB2 ASN A 377 -5.094 -1.456 4.480 1.00 42.32 H new ATOM 0 HB3 ASN A 377 -6.820 -1.478 4.785 1.00 42.32 H new ATOM 0 HD21 ASN A 377 -5.186 1.234 2.165 1.00 35.32 H new ATOM 0 HD22 ASN A 377 -4.178 0.262 3.242 1.00 35.32 H new ATOM 573 N VAL A 378 -4.772 -1.594 7.708 1.00 60.10 N ATOM 574 CA VAL A 378 -4.821 -2.558 8.786 1.00 32.03 C ATOM 575 C VAL A 378 -4.396 -1.885 10.083 1.00 44.52 C ATOM 576 O VAL A 378 -3.249 -1.442 10.209 1.00 60.45 O ATOM 577 CB VAL A 378 -3.906 -3.787 8.509 1.00 1.43 C ATOM 578 CG1 VAL A 378 -4.019 -4.817 9.624 1.00 44.34 C ATOM 579 CG2 VAL A 378 -4.231 -4.420 7.160 1.00 71.01 C ATOM 0 H VAL A 378 -3.832 -1.344 7.401 1.00 60.10 H new ATOM 0 HA VAL A 378 -5.846 -2.921 8.866 1.00 32.03 H new ATOM 0 HB VAL A 378 -2.876 -3.431 8.478 1.00 1.43 H new ATOM 0 HG11 VAL A 378 -3.369 -5.664 9.404 1.00 44.34 H new ATOM 0 HG12 VAL A 378 -3.718 -4.365 10.569 1.00 44.34 H new ATOM 0 HG13 VAL A 378 -5.051 -5.161 9.699 1.00 44.34 H new ATOM 0 HG21 VAL A 378 -3.577 -5.276 6.993 1.00 71.01 H new ATOM 0 HG22 VAL A 378 -5.270 -4.750 7.154 1.00 71.01 H new ATOM 0 HG23 VAL A 378 -4.079 -3.687 6.368 1.00 71.01 H new ATOM 589 N PRO A 379 -5.311 -1.806 11.069 1.00 55.44 N ATOM 590 CA PRO A 379 -5.036 -1.143 12.345 1.00 23.13 C ATOM 591 C PRO A 379 -3.843 -1.764 13.083 1.00 1.32 C ATOM 592 O PRO A 379 -3.100 -1.071 13.779 1.00 12.11 O ATOM 593 CB PRO A 379 -6.319 -1.301 13.168 1.00 60.15 C ATOM 594 CG PRO A 379 -7.322 -2.003 12.306 1.00 21.42 C ATOM 595 CD PRO A 379 -6.676 -2.354 10.997 1.00 13.32 C ATOM 0 HA PRO A 379 -4.767 -0.099 12.186 1.00 23.13 H new ATOM 0 HB2 PRO A 379 -6.125 -1.874 14.075 1.00 60.15 H new ATOM 0 HB3 PRO A 379 -6.696 -0.327 13.481 1.00 60.15 H new ATOM 0 HG2 PRO A 379 -7.681 -2.904 12.803 1.00 21.42 H new ATOM 0 HG3 PRO A 379 -8.189 -1.364 12.139 1.00 21.42 H new ATOM 0 HD2 PRO A 379 -6.658 -3.433 10.846 1.00 13.32 H new ATOM 0 HD3 PRO A 379 -7.227 -1.925 10.160 1.00 13.32 H new ATOM 603 N TYR A 380 -3.659 -3.073 12.911 1.00 15.03 N ATOM 604 CA TYR A 380 -2.546 -3.786 13.501 1.00 24.14 C ATOM 605 C TYR A 380 -1.227 -3.172 13.031 1.00 33.54 C ATOM 606 O TYR A 380 -0.321 -2.921 13.833 1.00 0.04 O ATOM 607 CB TYR A 380 -2.626 -5.249 13.072 1.00 35.30 C ATOM 608 CG TYR A 380 -1.632 -6.143 13.728 1.00 2.45 C ATOM 609 CD1 TYR A 380 -1.896 -6.674 14.969 1.00 52.33 C ATOM 610 CD2 TYR A 380 -0.438 -6.471 13.111 1.00 55.23 C ATOM 611 CE1 TYR A 380 -1.010 -7.498 15.588 1.00 45.33 C ATOM 612 CE2 TYR A 380 0.463 -7.305 13.722 1.00 12.05 C ATOM 613 CZ TYR A 380 0.171 -7.817 14.968 1.00 11.35 C ATOM 614 OH TYR A 380 1.055 -8.663 15.588 1.00 23.13 O ATOM 0 H TYR A 380 -4.282 -3.661 12.357 1.00 15.03 H new ATOM 0 HA TYR A 380 -2.591 -3.716 14.588 1.00 24.14 H new ATOM 0 HB2 TYR A 380 -3.627 -5.622 13.286 1.00 35.30 H new ATOM 0 HB3 TYR A 380 -2.489 -5.305 11.992 1.00 35.30 H new ATOM 0 HD1 TYR A 380 -2.826 -6.431 15.461 1.00 52.33 H new ATOM 0 HD2 TYR A 380 -0.213 -6.065 12.136 1.00 55.23 H new ATOM 0 HE1 TYR A 380 -1.235 -7.900 16.565 1.00 45.33 H new ATOM 0 HE2 TYR A 380 1.392 -7.558 13.232 1.00 12.05 H new ATOM 0 HH TYR A 380 1.842 -8.789 15.018 1.00 23.13 H new ATOM 624 N PHE A 381 -1.140 -2.908 11.737 1.00 44.34 N ATOM 625 CA PHE A 381 0.051 -2.343 11.146 1.00 21.14 C ATOM 626 C PHE A 381 0.201 -0.883 11.412 1.00 31.11 C ATOM 627 O PHE A 381 1.306 -0.386 11.461 1.00 4.12 O ATOM 628 CB PHE A 381 0.187 -2.665 9.690 1.00 24.14 C ATOM 629 CG PHE A 381 0.354 -4.111 9.450 1.00 15.21 C ATOM 630 CD1 PHE A 381 1.298 -4.829 10.159 1.00 3.15 C ATOM 631 CD2 PHE A 381 -0.401 -4.756 8.514 1.00 52.02 C ATOM 632 CE1 PHE A 381 1.477 -6.159 9.931 1.00 33.31 C ATOM 633 CE2 PHE A 381 -0.230 -6.083 8.282 1.00 72.45 C ATOM 634 CZ PHE A 381 0.719 -6.789 8.995 1.00 23.12 C ATOM 0 H PHE A 381 -1.894 -3.081 11.072 1.00 44.34 H new ATOM 0 HA PHE A 381 0.883 -2.833 11.652 1.00 21.14 H new ATOM 0 HB2 PHE A 381 -0.695 -2.310 9.158 1.00 24.14 H new ATOM 0 HB3 PHE A 381 1.043 -2.130 9.280 1.00 24.14 H new ATOM 0 HD1 PHE A 381 1.901 -4.329 10.903 1.00 3.15 H new ATOM 0 HD2 PHE A 381 -1.142 -4.206 7.952 1.00 52.02 H new ATOM 0 HE1 PHE A 381 2.218 -6.711 10.491 1.00 33.31 H new ATOM 0 HE2 PHE A 381 -0.835 -6.585 7.541 1.00 72.45 H new ATOM 0 HZ PHE A 381 0.859 -7.844 8.809 1.00 23.12 H new ATOM 644 N GLY A 382 -0.911 -0.192 11.583 1.00 45.31 N ATOM 645 CA GLY A 382 -0.869 1.221 11.940 1.00 31.34 C ATOM 646 C GLY A 382 -0.175 1.428 13.295 1.00 34.35 C ATOM 647 O GLY A 382 0.291 2.522 13.620 1.00 42.41 O ATOM 0 H GLY A 382 -1.849 -0.579 11.482 1.00 45.31 H new ATOM 0 HA2 GLY A 382 -0.340 1.779 11.168 1.00 31.34 H new ATOM 0 HA3 GLY A 382 -1.883 1.619 11.982 1.00 31.34 H new ATOM 651 N ASN A 383 -0.114 0.348 14.068 1.00 24.22 N ATOM 652 CA ASN A 383 0.568 0.306 15.355 1.00 4.31 C ATOM 653 C ASN A 383 2.007 -0.182 15.203 1.00 24.45 C ATOM 654 O ASN A 383 2.778 -0.203 16.164 1.00 20.44 O ATOM 655 CB ASN A 383 -0.197 -0.585 16.342 1.00 43.40 C ATOM 656 CG ASN A 383 -1.444 0.067 16.903 1.00 41.12 C ATOM 657 OD1 ASN A 383 -1.394 0.716 17.943 1.00 22.11 O ATOM 658 ND2 ASN A 383 -2.548 -0.068 16.229 1.00 71.41 N ATOM 0 H ASN A 383 -0.546 -0.540 13.811 1.00 24.22 H new ATOM 0 HA ASN A 383 0.596 1.321 15.750 1.00 4.31 H new ATOM 0 HB2 ASN A 383 -0.475 -1.512 15.842 1.00 43.40 H new ATOM 0 HB3 ASN A 383 0.465 -0.853 17.165 1.00 43.40 H new ATOM 0 HD21 ASN A 383 -3.406 0.372 16.562 1.00 71.41 H new ATOM 0 HD22 ASN A 383 -2.556 -0.614 15.368 1.00 71.41 H new ATOM 665 N ARG A 384 2.350 -0.608 14.009 1.00 4.11 N ATOM 666 CA ARG A 384 3.694 -1.041 13.681 1.00 63.13 C ATOM 667 C ARG A 384 4.238 -0.236 12.525 1.00 23.31 C ATOM 668 O ARG A 384 4.540 -0.779 11.461 1.00 55.44 O ATOM 669 CB ARG A 384 3.777 -2.551 13.395 1.00 33.50 C ATOM 670 CG ARG A 384 3.511 -3.435 14.598 1.00 51.23 C ATOM 671 CD ARG A 384 3.733 -4.906 14.272 1.00 63.13 C ATOM 672 NE ARG A 384 3.567 -5.743 15.463 1.00 24.05 N ATOM 673 CZ ARG A 384 3.972 -7.017 15.596 1.00 55.51 C ATOM 674 NH1 ARG A 384 4.572 -7.655 14.588 1.00 2.01 N ATOM 675 NH2 ARG A 384 3.776 -7.645 16.749 1.00 22.43 N ATOM 0 H ARG A 384 1.698 -0.665 13.227 1.00 4.11 H new ATOM 0 HA ARG A 384 4.315 -0.860 14.559 1.00 63.13 H new ATOM 0 HB2 ARG A 384 3.060 -2.799 12.612 1.00 33.50 H new ATOM 0 HB3 ARG A 384 4.768 -2.780 13.004 1.00 33.50 H new ATOM 0 HG2 ARG A 384 4.165 -3.141 15.418 1.00 51.23 H new ATOM 0 HG3 ARG A 384 2.486 -3.288 14.939 1.00 51.23 H new ATOM 0 HD2 ARG A 384 3.029 -5.221 13.502 1.00 63.13 H new ATOM 0 HD3 ARG A 384 4.734 -5.044 13.864 1.00 63.13 H new ATOM 0 HE ARG A 384 3.101 -5.319 16.265 1.00 24.05 H new ATOM 0 HH11 ARG A 384 4.728 -7.175 13.702 1.00 2.01 H new ATOM 0 HH12 ARG A 384 4.874 -8.622 14.704 1.00 2.01 H new ATOM 0 HH21 ARG A 384 3.322 -7.160 17.523 1.00 22.43 H new ATOM 0 HH22 ARG A 384 4.080 -8.612 16.861 1.00 22.43 H new ATOM 689 N THR A 385 4.340 1.052 12.725 1.00 34.51 N ATOM 690 CA THR A 385 4.768 1.948 11.673 1.00 34.12 C ATOM 691 C THR A 385 6.182 2.465 11.865 1.00 11.13 C ATOM 692 O THR A 385 6.787 2.988 10.927 1.00 32.32 O ATOM 693 CB THR A 385 3.788 3.120 11.497 1.00 42.04 C ATOM 694 OG1 THR A 385 3.541 3.758 12.774 1.00 53.34 O ATOM 695 CG2 THR A 385 2.486 2.633 10.894 1.00 31.33 C ATOM 0 H THR A 385 4.132 1.510 13.612 1.00 34.51 H new ATOM 0 HA THR A 385 4.770 1.352 10.761 1.00 34.12 H new ATOM 0 HB THR A 385 4.233 3.849 10.819 1.00 42.04 H new ATOM 0 HG1 THR A 385 2.917 4.504 12.652 1.00 53.34 H new ATOM 0 HG21 THR A 385 1.803 3.474 10.776 1.00 31.33 H new ATOM 0 HG22 THR A 385 2.681 2.184 9.920 1.00 31.33 H new ATOM 0 HG23 THR A 385 2.036 1.890 11.552 1.00 31.33 H new ATOM 703 N SER A 386 6.726 2.324 13.061 1.00 4.40 N ATOM 704 CA SER A 386 8.067 2.780 13.307 1.00 42.11 C ATOM 705 C SER A 386 9.061 1.837 12.627 1.00 71.42 C ATOM 706 O SER A 386 8.680 0.743 12.206 1.00 50.22 O ATOM 707 CB SER A 386 8.300 2.935 14.797 1.00 10.11 C ATOM 708 OG SER A 386 7.370 3.870 15.327 1.00 10.14 O ATOM 0 H SER A 386 6.260 1.901 13.864 1.00 4.40 H new ATOM 0 HA SER A 386 8.220 3.767 12.871 1.00 42.11 H new ATOM 0 HB2 SER A 386 8.188 1.972 15.296 1.00 10.11 H new ATOM 0 HB3 SER A 386 9.319 3.274 14.983 1.00 10.11 H new ATOM 0 HG SER A 386 7.519 3.969 16.291 1.00 10.14 H new ATOM 714 N GLN A 387 10.305 2.244 12.519 1.00 74.11 N ATOM 715 CA GLN A 387 11.292 1.512 11.724 1.00 64.43 C ATOM 716 C GLN A 387 11.478 0.067 12.180 1.00 1.45 C ATOM 717 O GLN A 387 11.340 -0.860 11.384 1.00 1.13 O ATOM 718 CB GLN A 387 12.618 2.252 11.708 1.00 1.21 C ATOM 719 CG GLN A 387 12.497 3.674 11.187 1.00 42.14 C ATOM 720 CD GLN A 387 13.813 4.401 11.169 1.00 64.43 C ATOM 721 OE1 GLN A 387 14.863 3.797 10.990 1.00 4.21 O ATOM 722 NE2 GLN A 387 13.773 5.688 11.378 1.00 22.13 N ATOM 0 H GLN A 387 10.669 3.083 12.971 1.00 74.11 H new ATOM 0 HA GLN A 387 10.900 1.462 10.708 1.00 64.43 H new ATOM 0 HB2 GLN A 387 13.028 2.274 12.718 1.00 1.21 H new ATOM 0 HB3 GLN A 387 13.327 1.703 11.088 1.00 1.21 H new ATOM 0 HG2 GLN A 387 12.085 3.653 10.178 1.00 42.14 H new ATOM 0 HG3 GLN A 387 11.791 4.225 11.808 1.00 42.14 H new ATOM 0 HE21 GLN A 387 12.877 6.154 11.523 1.00 22.13 H new ATOM 0 HE22 GLN A 387 14.638 6.229 11.397 1.00 22.13 H new ATOM 731 N GLU A 388 11.734 -0.135 13.442 1.00 62.12 N ATOM 732 CA GLU A 388 11.948 -1.479 13.951 1.00 34.24 C ATOM 733 C GLU A 388 10.614 -2.172 14.183 1.00 5.45 C ATOM 734 O GLU A 388 10.535 -3.399 14.243 1.00 3.44 O ATOM 735 CB GLU A 388 12.790 -1.442 15.221 1.00 43.22 C ATOM 736 CG GLU A 388 14.167 -0.822 15.013 1.00 70.44 C ATOM 737 CD GLU A 388 15.047 -1.630 14.085 1.00 3.10 C ATOM 738 OE1 GLU A 388 14.975 -1.445 12.849 1.00 54.43 O ATOM 739 OE2 GLU A 388 15.822 -2.465 14.582 1.00 11.20 O ATOM 0 H GLU A 388 11.801 0.604 14.142 1.00 62.12 H new ATOM 0 HA GLU A 388 12.499 -2.056 13.208 1.00 34.24 H new ATOM 0 HB2 GLU A 388 12.257 -0.878 15.986 1.00 43.22 H new ATOM 0 HB3 GLU A 388 12.910 -2.457 15.599 1.00 43.22 H new ATOM 0 HG2 GLU A 388 14.049 0.183 14.609 1.00 70.44 H new ATOM 0 HG3 GLU A 388 14.663 -0.721 15.978 1.00 70.44 H new ATOM 746 N GLN A 389 9.567 -1.370 14.292 1.00 24.32 N ATOM 747 CA GLN A 389 8.210 -1.864 14.452 1.00 73.34 C ATOM 748 C GLN A 389 7.660 -2.436 13.161 1.00 12.52 C ATOM 749 O GLN A 389 6.768 -3.265 13.187 1.00 65.13 O ATOM 750 CB GLN A 389 7.288 -0.748 14.952 1.00 62.11 C ATOM 751 CG GLN A 389 7.476 -0.382 16.414 1.00 31.32 C ATOM 752 CD GLN A 389 6.995 -1.477 17.354 1.00 73.33 C ATOM 753 OE1 GLN A 389 7.530 -1.657 18.445 1.00 44.44 O ATOM 754 NE2 GLN A 389 5.949 -2.171 16.965 1.00 74.32 N ATOM 0 H GLN A 389 9.636 -0.353 14.272 1.00 24.32 H new ATOM 0 HA GLN A 389 8.246 -2.666 15.189 1.00 73.34 H new ATOM 0 HB2 GLN A 389 7.453 0.142 14.344 1.00 62.11 H new ATOM 0 HB3 GLN A 389 6.253 -1.053 14.797 1.00 62.11 H new ATOM 0 HG2 GLN A 389 8.531 -0.183 16.603 1.00 31.32 H new ATOM 0 HG3 GLN A 389 6.934 0.540 16.627 1.00 31.32 H new ATOM 0 HE21 GLN A 389 5.531 -1.994 16.052 1.00 74.32 H new ATOM 0 HE22 GLN A 389 5.556 -2.886 17.576 1.00 74.32 H new ATOM 763 N SER A 390 8.183 -1.999 12.046 1.00 1.42 N ATOM 764 CA SER A 390 7.670 -2.437 10.772 1.00 3.44 C ATOM 765 C SER A 390 8.593 -3.426 10.058 1.00 71.12 C ATOM 766 O SER A 390 8.146 -4.181 9.191 1.00 34.42 O ATOM 767 CB SER A 390 7.370 -1.220 9.897 1.00 22.42 C ATOM 768 OG SER A 390 8.533 -0.414 9.729 1.00 15.42 O ATOM 0 H SER A 390 8.962 -1.342 11.992 1.00 1.42 H new ATOM 0 HA SER A 390 6.747 -2.985 10.960 1.00 3.44 H new ATOM 0 HB2 SER A 390 7.007 -1.548 8.923 1.00 22.42 H new ATOM 0 HB3 SER A 390 6.575 -0.628 10.351 1.00 22.42 H new ATOM 0 HG SER A 390 8.669 0.135 10.529 1.00 15.42 H new ATOM 774 N ALA A 391 9.861 -3.436 10.447 1.00 32.11 N ATOM 775 CA ALA A 391 10.884 -4.265 9.804 1.00 14.40 C ATOM 776 C ALA A 391 10.499 -5.742 9.721 1.00 44.33 C ATOM 777 O ALA A 391 10.631 -6.363 8.672 1.00 72.14 O ATOM 778 CB ALA A 391 12.212 -4.107 10.516 1.00 4.33 C ATOM 0 H ALA A 391 10.215 -2.870 11.218 1.00 32.11 H new ATOM 0 HA ALA A 391 10.972 -3.909 8.778 1.00 14.40 H new ATOM 0 HB1 ALA A 391 12.963 -4.728 10.028 1.00 4.33 H new ATOM 0 HB2 ALA A 391 12.524 -3.063 10.477 1.00 4.33 H new ATOM 0 HB3 ALA A 391 12.106 -4.416 11.556 1.00 4.33 H new ATOM 784 N GLY A 392 10.000 -6.287 10.799 1.00 13.02 N ATOM 785 CA GLY A 392 9.677 -7.694 10.824 1.00 72.41 C ATOM 786 C GLY A 392 8.535 -8.068 9.924 1.00 60.45 C ATOM 787 O GLY A 392 8.607 -9.090 9.220 1.00 51.55 O ATOM 0 H GLY A 392 9.809 -5.785 11.666 1.00 13.02 H new ATOM 0 HA2 GLY A 392 10.559 -8.265 10.534 1.00 72.41 H new ATOM 0 HA3 GLY A 392 9.432 -7.983 11.846 1.00 72.41 H new ATOM 791 N TRP A 393 7.478 -7.275 9.906 1.00 15.05 N ATOM 792 CA TRP A 393 6.389 -7.617 9.045 1.00 13.21 C ATOM 793 C TRP A 393 6.729 -7.337 7.582 1.00 22.41 C ATOM 794 O TRP A 393 6.196 -7.991 6.679 1.00 21.04 O ATOM 795 CB TRP A 393 5.015 -7.080 9.491 1.00 52.40 C ATOM 796 CG TRP A 393 4.848 -5.607 9.506 1.00 55.03 C ATOM 797 CD1 TRP A 393 5.142 -4.765 10.513 1.00 13.03 C ATOM 798 CD2 TRP A 393 4.295 -4.820 8.465 1.00 62.42 C ATOM 799 NE1 TRP A 393 4.815 -3.475 10.158 1.00 43.33 N ATOM 800 CE2 TRP A 393 4.301 -3.485 8.899 1.00 23.34 C ATOM 801 CE3 TRP A 393 3.805 -5.123 7.205 1.00 24.52 C ATOM 802 CZ2 TRP A 393 3.829 -2.441 8.112 1.00 35.13 C ATOM 803 CZ3 TRP A 393 3.338 -4.093 6.417 1.00 44.35 C ATOM 804 CH2 TRP A 393 3.355 -2.766 6.871 1.00 11.32 C ATOM 0 H TRP A 393 7.362 -6.425 10.458 1.00 15.05 H new ATOM 0 HA TRP A 393 6.259 -8.695 9.137 1.00 13.21 H new ATOM 0 HB2 TRP A 393 4.255 -7.502 8.833 1.00 52.40 H new ATOM 0 HB3 TRP A 393 4.812 -7.456 10.494 1.00 52.40 H new ATOM 0 HD1 TRP A 393 5.571 -5.057 11.460 1.00 13.03 H new ATOM 0 HE1 TRP A 393 4.938 -2.648 10.743 1.00 43.33 H new ATOM 0 HE3 TRP A 393 3.789 -6.142 6.849 1.00 24.52 H new ATOM 0 HZ2 TRP A 393 3.836 -1.420 8.464 1.00 35.13 H new ATOM 0 HZ3 TRP A 393 2.952 -4.312 5.432 1.00 44.35 H new ATOM 0 HH2 TRP A 393 2.985 -1.983 6.226 1.00 11.32 H new ATOM 815 N LYS A 394 7.651 -6.384 7.348 1.00 21.14 N ATOM 816 CA LYS A 394 8.202 -6.187 6.018 1.00 10.55 C ATOM 817 C LYS A 394 8.932 -7.437 5.585 1.00 22.13 C ATOM 818 O LYS A 394 8.759 -7.906 4.461 1.00 70.11 O ATOM 819 CB LYS A 394 9.146 -5.001 5.970 1.00 12.04 C ATOM 820 CG LYS A 394 8.449 -3.697 6.174 1.00 10.13 C ATOM 821 CD LYS A 394 9.399 -2.538 6.131 1.00 1.04 C ATOM 822 CE LYS A 394 8.642 -1.263 6.343 1.00 24.13 C ATOM 823 NZ LYS A 394 9.496 -0.068 6.175 1.00 42.45 N ATOM 0 H LYS A 394 8.018 -5.752 8.060 1.00 21.14 H new ATOM 0 HA LYS A 394 7.375 -5.981 5.338 1.00 10.55 H new ATOM 0 HB2 LYS A 394 9.912 -5.122 6.736 1.00 12.04 H new ATOM 0 HB3 LYS A 394 9.657 -4.988 5.007 1.00 12.04 H new ATOM 0 HG2 LYS A 394 7.687 -3.569 5.405 1.00 10.13 H new ATOM 0 HG3 LYS A 394 7.934 -3.708 7.135 1.00 10.13 H new ATOM 0 HD2 LYS A 394 10.163 -2.652 6.900 1.00 1.04 H new ATOM 0 HD3 LYS A 394 9.914 -2.512 5.171 1.00 1.04 H new ATOM 0 HE2 LYS A 394 7.811 -1.215 5.639 1.00 24.13 H new ATOM 0 HE3 LYS A 394 8.211 -1.261 7.344 1.00 24.13 H new ATOM 0 HZ1 LYS A 394 8.928 0.789 6.331 1.00 42.45 H new ATOM 0 HZ2 LYS A 394 10.275 -0.098 6.864 1.00 42.45 H new ATOM 0 HZ3 LYS A 394 9.887 -0.053 5.211 1.00 42.45 H new ATOM 837 N ASN A 395 9.726 -8.011 6.499 1.00 61.30 N ATOM 838 CA ASN A 395 10.436 -9.249 6.198 1.00 31.14 C ATOM 839 C ASN A 395 9.462 -10.372 5.944 1.00 21.31 C ATOM 840 O ASN A 395 9.680 -11.203 5.084 1.00 54.22 O ATOM 841 CB ASN A 395 11.460 -9.636 7.285 1.00 43.24 C ATOM 842 CG ASN A 395 12.759 -8.832 7.218 1.00 71.41 C ATOM 843 OD1 ASN A 395 13.714 -9.233 6.552 1.00 52.41 O ATOM 844 ND2 ASN A 395 12.813 -7.717 7.882 1.00 22.54 N ATOM 0 H ASN A 395 9.888 -7.641 7.436 1.00 61.30 H new ATOM 0 HA ASN A 395 11.010 -9.069 5.289 1.00 31.14 H new ATOM 0 HB2 ASN A 395 11.006 -9.496 8.266 1.00 43.24 H new ATOM 0 HB3 ASN A 395 11.694 -10.696 7.191 1.00 43.24 H new ATOM 0 HD21 ASN A 395 13.661 -7.151 7.860 1.00 22.54 H new ATOM 0 HD22 ASN A 395 12.007 -7.408 8.426 1.00 22.54 H new ATOM 851 N SER A 396 8.363 -10.359 6.666 1.00 22.32 N ATOM 852 CA SER A 396 7.318 -11.350 6.511 1.00 50.13 C ATOM 853 C SER A 396 6.691 -11.281 5.088 1.00 43.03 C ATOM 854 O SER A 396 6.467 -12.318 4.436 1.00 33.42 O ATOM 855 CB SER A 396 6.266 -11.153 7.598 1.00 5.24 C ATOM 856 OG SER A 396 6.841 -11.267 8.899 1.00 3.31 O ATOM 0 H SER A 396 8.167 -9.658 7.381 1.00 22.32 H new ATOM 0 HA SER A 396 7.749 -12.345 6.621 1.00 50.13 H new ATOM 0 HB2 SER A 396 5.803 -10.172 7.487 1.00 5.24 H new ATOM 0 HB3 SER A 396 5.475 -11.894 7.481 1.00 5.24 H new ATOM 0 HG SER A 396 7.464 -10.526 9.047 1.00 3.31 H new ATOM 862 N ILE A 397 6.432 -10.068 4.615 1.00 0.33 N ATOM 863 CA ILE A 397 5.929 -9.838 3.252 1.00 31.44 C ATOM 864 C ILE A 397 6.985 -10.257 2.223 1.00 0.34 C ATOM 865 O ILE A 397 6.674 -10.936 1.232 1.00 32.14 O ATOM 866 CB ILE A 397 5.493 -8.340 3.071 1.00 72.20 C ATOM 867 CG1 ILE A 397 4.190 -8.078 3.846 1.00 35.14 C ATOM 868 CG2 ILE A 397 5.343 -7.945 1.599 1.00 65.31 C ATOM 869 CD1 ILE A 397 3.757 -6.638 3.905 1.00 10.23 C ATOM 0 H ILE A 397 6.562 -9.214 5.158 1.00 0.33 H new ATOM 0 HA ILE A 397 5.044 -10.453 3.088 1.00 31.44 H new ATOM 0 HB ILE A 397 6.287 -7.714 3.478 1.00 72.20 H new ATOM 0 HG12 ILE A 397 3.391 -8.662 3.390 1.00 35.14 H new ATOM 0 HG13 ILE A 397 4.312 -8.446 4.865 1.00 35.14 H new ATOM 0 HG21 ILE A 397 5.040 -6.900 1.532 1.00 65.31 H new ATOM 0 HG22 ILE A 397 6.296 -8.081 1.087 1.00 65.31 H new ATOM 0 HG23 ILE A 397 4.586 -8.573 1.129 1.00 65.31 H new ATOM 0 HD11 ILE A 397 2.830 -6.560 4.472 1.00 10.23 H new ATOM 0 HD12 ILE A 397 4.531 -6.045 4.392 1.00 10.23 H new ATOM 0 HD13 ILE A 397 3.596 -6.265 2.894 1.00 10.23 H new ATOM 881 N ARG A 398 8.228 -9.892 2.490 1.00 42.32 N ATOM 882 CA ARG A 398 9.348 -10.277 1.645 1.00 4.42 C ATOM 883 C ARG A 398 9.512 -11.785 1.567 1.00 42.35 C ATOM 884 O ARG A 398 9.871 -12.312 0.515 1.00 24.42 O ATOM 885 CB ARG A 398 10.632 -9.607 2.096 1.00 4.41 C ATOM 886 CG ARG A 398 10.659 -8.118 1.846 1.00 41.43 C ATOM 887 CD ARG A 398 10.593 -7.807 0.359 1.00 45.42 C ATOM 888 NE ARG A 398 11.695 -8.449 -0.381 1.00 52.23 N ATOM 889 CZ ARG A 398 11.796 -8.526 -1.713 1.00 70.22 C ATOM 890 NH1 ARG A 398 10.866 -7.981 -2.490 1.00 4.34 N ATOM 891 NH2 ARG A 398 12.830 -9.152 -2.257 1.00 53.25 N ATOM 0 H ARG A 398 8.489 -9.323 3.295 1.00 42.32 H new ATOM 0 HA ARG A 398 9.123 -9.928 0.637 1.00 4.42 H new ATOM 0 HB2 ARG A 398 10.773 -9.790 3.161 1.00 4.41 H new ATOM 0 HB3 ARG A 398 11.473 -10.069 1.579 1.00 4.41 H new ATOM 0 HG2 ARG A 398 9.819 -7.646 2.356 1.00 41.43 H new ATOM 0 HG3 ARG A 398 11.569 -7.692 2.269 1.00 41.43 H new ATOM 0 HD2 ARG A 398 9.638 -8.147 -0.042 1.00 45.42 H new ATOM 0 HD3 ARG A 398 10.635 -6.728 0.211 1.00 45.42 H new ATOM 0 HE ARG A 398 12.444 -8.870 0.169 1.00 52.23 H new ATOM 0 HH11 ARG A 398 10.069 -7.501 -2.072 1.00 4.34 H new ATOM 0 HH12 ARG A 398 10.949 -8.043 -3.505 1.00 4.34 H new ATOM 0 HH21 ARG A 398 13.543 -9.572 -1.661 1.00 53.25 H new ATOM 0 HH22 ARG A 398 12.912 -9.214 -3.272 1.00 53.25 H new ATOM 905 N HIS A 399 9.235 -12.479 2.677 1.00 3.43 N ATOM 906 CA HIS A 399 9.271 -13.952 2.698 1.00 74.22 C ATOM 907 C HIS A 399 8.349 -14.502 1.627 1.00 44.33 C ATOM 908 O HIS A 399 8.746 -15.341 0.827 1.00 54.22 O ATOM 909 CB HIS A 399 8.835 -14.561 4.056 1.00 55.12 C ATOM 910 CG HIS A 399 9.687 -14.238 5.248 1.00 72.30 C ATOM 911 ND1 HIS A 399 9.179 -14.177 6.532 1.00 70.41 N ATOM 912 CD2 HIS A 399 11.018 -13.994 5.364 1.00 13.03 C ATOM 913 CE1 HIS A 399 10.152 -13.907 7.380 1.00 64.21 C ATOM 914 NE2 HIS A 399 11.277 -13.792 6.701 1.00 62.23 N ATOM 0 H HIS A 399 8.985 -12.051 3.568 1.00 3.43 H new ATOM 0 HA HIS A 399 10.310 -14.230 2.522 1.00 74.22 H new ATOM 0 HB2 HIS A 399 7.818 -14.230 4.266 1.00 55.12 H new ATOM 0 HB3 HIS A 399 8.801 -15.645 3.947 1.00 55.12 H new ATOM 0 HD2 HIS A 399 11.738 -13.964 4.559 1.00 13.03 H new ATOM 0 HE1 HIS A 399 10.046 -13.798 8.449 1.00 64.21 H new ATOM 0 HE2 HIS A 399 12.192 -13.586 7.102 1.00 62.23 H new ATOM 923 N ASN A 400 7.120 -13.996 1.606 1.00 12.32 N ATOM 924 CA ASN A 400 6.108 -14.445 0.645 1.00 74.12 C ATOM 925 C ASN A 400 6.424 -14.053 -0.759 1.00 1.03 C ATOM 926 O ASN A 400 6.177 -14.829 -1.683 1.00 42.31 O ATOM 927 CB ASN A 400 4.694 -14.022 1.037 1.00 72.01 C ATOM 928 CG ASN A 400 4.138 -14.878 2.140 1.00 53.23 C ATOM 929 OD1 ASN A 400 3.516 -15.904 1.885 1.00 73.32 O ATOM 930 ND2 ASN A 400 4.333 -14.468 3.351 1.00 30.44 N ATOM 0 H ASN A 400 6.796 -13.271 2.246 1.00 12.32 H new ATOM 0 HA ASN A 400 6.139 -15.534 0.682 1.00 74.12 H new ATOM 0 HB2 ASN A 400 4.702 -12.980 1.356 1.00 72.01 H new ATOM 0 HB3 ASN A 400 4.042 -14.084 0.166 1.00 72.01 H new ATOM 0 HD21 ASN A 400 3.964 -15.004 4.137 1.00 30.44 H new ATOM 0 HD22 ASN A 400 4.856 -13.609 3.521 1.00 30.44 H new ATOM 937 N LEU A 401 6.962 -12.868 -0.936 1.00 32.10 N ATOM 938 CA LEU A 401 7.389 -12.427 -2.250 1.00 61.10 C ATOM 939 C LEU A 401 8.492 -13.342 -2.789 1.00 62.44 C ATOM 940 O LEU A 401 8.434 -13.794 -3.919 1.00 73.34 O ATOM 941 CB LEU A 401 7.824 -10.943 -2.220 1.00 21.00 C ATOM 942 CG LEU A 401 6.685 -9.917 -1.999 1.00 60.11 C ATOM 943 CD1 LEU A 401 7.236 -8.512 -1.796 1.00 13.12 C ATOM 944 CD2 LEU A 401 5.747 -9.915 -3.196 1.00 15.44 C ATOM 0 H LEU A 401 7.116 -12.190 -0.189 1.00 32.10 H new ATOM 0 HA LEU A 401 6.544 -12.496 -2.935 1.00 61.10 H new ATOM 0 HB2 LEU A 401 8.563 -10.815 -1.429 1.00 21.00 H new ATOM 0 HB3 LEU A 401 8.322 -10.710 -3.161 1.00 21.00 H new ATOM 0 HG LEU A 401 6.143 -10.212 -1.100 1.00 60.11 H new ATOM 0 HD11 LEU A 401 6.411 -7.816 -1.644 1.00 13.12 H new ATOM 0 HD12 LEU A 401 7.887 -8.499 -0.922 1.00 13.12 H new ATOM 0 HD13 LEU A 401 7.805 -8.213 -2.677 1.00 13.12 H new ATOM 0 HD21 LEU A 401 4.949 -9.191 -3.032 1.00 15.44 H new ATOM 0 HD22 LEU A 401 6.303 -9.645 -4.094 1.00 15.44 H new ATOM 0 HD23 LEU A 401 5.315 -10.908 -3.322 1.00 15.44 H new ATOM 1257 N TRP A 421 7.193 -3.643 -8.137 1.00 70.15 N ATOM 1258 CA TRP A 421 6.950 -4.921 -8.689 1.00 14.21 C ATOM 1259 C TRP A 421 5.471 -5.013 -9.020 1.00 14.53 C ATOM 1260 O TRP A 421 4.654 -4.306 -8.418 1.00 71.10 O ATOM 1261 CB TRP A 421 7.422 -6.051 -7.720 1.00 41.31 C ATOM 1262 CG TRP A 421 6.711 -6.148 -6.418 1.00 64.34 C ATOM 1263 CD1 TRP A 421 7.121 -5.652 -5.221 1.00 73.31 C ATOM 1264 CD2 TRP A 421 5.475 -6.810 -6.179 1.00 30.01 C ATOM 1265 NE1 TRP A 421 6.218 -5.987 -4.255 1.00 34.12 N ATOM 1266 CE2 TRP A 421 5.193 -6.693 -4.830 1.00 25.11 C ATOM 1267 CE3 TRP A 421 4.580 -7.489 -6.991 1.00 11.21 C ATOM 1268 CZ2 TRP A 421 4.051 -7.235 -4.264 1.00 62.11 C ATOM 1269 CZ3 TRP A 421 3.451 -8.025 -6.438 1.00 33.31 C ATOM 1270 CH2 TRP A 421 3.194 -7.898 -5.086 1.00 44.55 C ATOM 0 HA TRP A 421 7.526 -5.060 -9.604 1.00 14.21 H new ATOM 0 HB2 TRP A 421 7.322 -7.006 -8.235 1.00 41.31 H new ATOM 0 HB3 TRP A 421 8.484 -5.907 -7.519 1.00 41.31 H new ATOM 0 HD1 TRP A 421 8.023 -5.080 -5.059 1.00 73.31 H new ATOM 0 HE1 TRP A 421 6.293 -5.751 -3.266 1.00 34.12 H new ATOM 0 HE3 TRP A 421 4.773 -7.593 -8.049 1.00 11.21 H new ATOM 0 HZ2 TRP A 421 3.848 -7.135 -3.208 1.00 62.11 H new ATOM 0 HZ3 TRP A 421 2.750 -8.555 -7.066 1.00 33.31 H new ATOM 0 HH2 TRP A 421 2.296 -8.334 -4.674 1.00 44.55 H new ATOM 1281 N VAL A 422 5.132 -5.833 -9.976 1.00 63.15 N ATOM 1282 CA VAL A 422 3.748 -5.995 -10.398 1.00 21.44 C ATOM 1283 C VAL A 422 3.385 -7.472 -10.399 1.00 32.24 C ATOM 1284 O VAL A 422 4.267 -8.313 -10.491 1.00 4.13 O ATOM 1285 CB VAL A 422 3.510 -5.398 -11.820 1.00 54.31 C ATOM 1286 CG1 VAL A 422 3.721 -3.889 -11.819 1.00 63.30 C ATOM 1287 CG2 VAL A 422 4.431 -6.055 -12.845 1.00 73.41 C ATOM 0 H VAL A 422 5.797 -6.411 -10.490 1.00 63.15 H new ATOM 0 HA VAL A 422 3.115 -5.455 -9.694 1.00 21.44 H new ATOM 0 HB VAL A 422 2.476 -5.603 -12.098 1.00 54.31 H new ATOM 0 HG11 VAL A 422 3.549 -3.497 -12.821 1.00 63.30 H new ATOM 0 HG12 VAL A 422 3.023 -3.424 -11.123 1.00 63.30 H new ATOM 0 HG13 VAL A 422 4.742 -3.665 -11.512 1.00 63.30 H new ATOM 0 HG21 VAL A 422 4.247 -5.623 -13.829 1.00 73.41 H new ATOM 0 HG22 VAL A 422 5.470 -5.885 -12.562 1.00 73.41 H new ATOM 0 HG23 VAL A 422 4.234 -7.127 -12.877 1.00 73.41 H new ATOM 1297 N ILE A 423 2.113 -7.787 -10.310 1.00 64.24 N ATOM 1298 CA ILE A 423 1.677 -9.182 -10.302 1.00 20.05 C ATOM 1299 C ILE A 423 1.583 -9.688 -11.729 1.00 33.32 C ATOM 1300 O ILE A 423 1.047 -8.994 -12.609 1.00 51.33 O ATOM 1301 CB ILE A 423 0.300 -9.351 -9.572 1.00 4.42 C ATOM 1302 CG1 ILE A 423 0.435 -8.945 -8.097 1.00 51.53 C ATOM 1303 CG2 ILE A 423 -0.228 -10.787 -9.693 1.00 12.24 C ATOM 1304 CD1 ILE A 423 -0.843 -9.065 -7.289 1.00 75.44 C ATOM 0 H ILE A 423 1.357 -7.105 -10.242 1.00 64.24 H new ATOM 0 HA ILE A 423 2.412 -9.769 -9.752 1.00 20.05 H new ATOM 0 HB ILE A 423 -0.424 -8.695 -10.056 1.00 4.42 H new ATOM 0 HG12 ILE A 423 1.202 -9.564 -7.632 1.00 51.53 H new ATOM 0 HG13 ILE A 423 0.785 -7.914 -8.048 1.00 51.53 H new ATOM 0 HG21 ILE A 423 -1.184 -10.868 -9.176 1.00 12.24 H new ATOM 0 HG22 ILE A 423 -0.363 -11.038 -10.745 1.00 12.24 H new ATOM 0 HG23 ILE A 423 0.487 -11.477 -9.244 1.00 12.24 H new ATOM 0 HD11 ILE A 423 -0.653 -8.758 -6.261 1.00 75.44 H new ATOM 0 HD12 ILE A 423 -1.610 -8.424 -7.724 1.00 75.44 H new ATOM 0 HD13 ILE A 423 -1.185 -10.100 -7.301 1.00 75.44 H new