USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 597 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 1 GLN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 1 GLN N :NH3+ -168:sc= -0.0144 (180deg=-0.27) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ -165:sc=-0.00601 (180deg=-0.117) USER MOD Single : A 5 TYR OH : rot 30:sc= 0 USER MOD Single : A 7 TYR OH : rot -31:sc= 0.647 USER MOD Single : A 9 SER OG : rot -170:sc= -0.833 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -4.95! C(o=-5!,f=-9!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HE2:sc= -0.206 K(o=-0.2,f=-3.8!) USER MOD Single : A 34 SER OG : rot 180:sc= 0.0127 USER MOD Single : A 39 GLN : amide:sc= -1.65 K(o=-1.6,f=-3.7!) USER MOD Single : A 44 MET CE :methyl 142:sc= -5.57! (180deg=-8.41!) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0421 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -2.19! C(o=-2.2!,f=-2.8!) USER MOD Single : A 61 LYS NZ :NH3+ -151:sc= -2.9 (180deg=-4.59!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 164:sc= -0.0144 (180deg=-0.166) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 1.402 0.184 -0.340 1.00 65.11 N ATOM 2 CA GLN A 1 2.023 0.115 -1.658 1.00 12.12 C ATOM 3 C GLN A 1 1.768 -1.240 -2.309 1.00 62.13 C ATOM 4 O GLN A 1 1.716 -1.351 -3.534 1.00 60.24 O ATOM 5 CB GLN A 1 3.528 0.368 -1.550 1.00 74.12 C ATOM 6 CG GLN A 1 4.210 0.562 -2.895 1.00 14.52 C ATOM 7 CD GLN A 1 5.654 1.002 -2.758 1.00 60.14 C ATOM 8 OE1 GLN A 1 6.005 2.133 -3.095 1.00 2.25 O ATOM 9 NE2 GLN A 1 6.501 0.107 -2.263 1.00 0.32 N ATOM 0 H1 GLN A 1 1.411 1.168 -0.003 1.00 65.11 H new ATOM 0 H2 GLN A 1 0.420 -0.152 -0.401 1.00 65.11 H new ATOM 0 H3 GLN A 1 1.932 -0.414 0.325 1.00 65.11 H new ATOM 0 HA GLN A 1 1.576 0.888 -2.284 1.00 12.12 H new ATOM 0 HB2 GLN A 1 3.696 1.253 -0.936 1.00 74.12 H new ATOM 0 HB3 GLN A 1 3.993 -0.472 -1.034 1.00 74.12 H new ATOM 0 HG2 GLN A 1 4.170 -0.371 -3.456 1.00 14.52 H new ATOM 0 HG3 GLN A 1 3.661 1.305 -3.473 1.00 14.52 H new ATOM 0 HE21 GLN A 1 6.166 -0.819 -1.997 1.00 0.32 H new ATOM 0 HE22 GLN A 1 7.486 0.346 -2.149 1.00 0.32 H new ATOM 18 N TYR A 2 1.611 -2.268 -1.483 1.00 11.13 N ATOM 19 CA TYR A 2 1.365 -3.617 -1.979 1.00 14.25 C ATOM 20 C TYR A 2 0.354 -4.345 -1.097 1.00 63.13 C ATOM 21 O TYR A 2 -0.191 -3.773 -0.154 1.00 14.23 O ATOM 22 CB TYR A 2 2.672 -4.408 -2.036 1.00 21.41 C ATOM 23 CG TYR A 2 3.575 -4.004 -3.179 1.00 70.24 C ATOM 24 CD1 TYR A 2 3.428 -4.569 -4.440 1.00 54.12 C ATOM 25 CD2 TYR A 2 4.575 -3.056 -2.999 1.00 61.50 C ATOM 26 CE1 TYR A 2 4.251 -4.203 -5.487 1.00 72.05 C ATOM 27 CE2 TYR A 2 5.402 -2.683 -4.041 1.00 30.41 C ATOM 28 CZ TYR A 2 5.236 -3.260 -5.283 1.00 2.20 C ATOM 29 OH TYR A 2 6.057 -2.892 -6.324 1.00 44.30 O ATOM 0 H TYR A 2 1.650 -2.193 -0.466 1.00 11.13 H new ATOM 0 HA TYR A 2 0.952 -3.538 -2.985 1.00 14.25 H new ATOM 0 HB2 TYR A 2 3.208 -4.276 -1.096 1.00 21.41 H new ATOM 0 HB3 TYR A 2 2.441 -5.470 -2.124 1.00 21.41 H new ATOM 0 HD1 TYR A 2 2.657 -5.307 -4.604 1.00 54.12 H new ATOM 0 HD2 TYR A 2 4.708 -2.603 -2.028 1.00 61.50 H new ATOM 0 HE1 TYR A 2 4.124 -4.653 -6.460 1.00 72.05 H new ATOM 0 HE2 TYR A 2 6.174 -1.944 -3.884 1.00 30.41 H new ATOM 0 HH TYR A 2 6.696 -2.217 -6.014 1.00 44.30 H new ATOM 39 N LYS A 3 0.110 -5.613 -1.412 1.00 43.30 N ATOM 40 CA LYS A 3 -0.832 -6.423 -0.650 1.00 32.03 C ATOM 41 C LYS A 3 -0.099 -7.458 0.198 1.00 40.04 C ATOM 42 O LYS A 3 0.739 -8.206 -0.307 1.00 42.43 O ATOM 43 CB LYS A 3 -1.814 -7.123 -1.593 1.00 4.05 C ATOM 44 CG LYS A 3 -2.762 -8.075 -0.885 1.00 72.43 C ATOM 45 CD LYS A 3 -3.865 -8.556 -1.814 1.00 25.40 C ATOM 46 CE LYS A 3 -5.047 -7.599 -1.818 1.00 62.53 C ATOM 47 NZ LYS A 3 -5.839 -7.691 -0.561 1.00 34.40 N ATOM 0 H LYS A 3 0.552 -6.102 -2.190 1.00 43.30 H new ATOM 0 HA LYS A 3 -1.386 -5.761 0.016 1.00 32.03 H new ATOM 0 HB2 LYS A 3 -2.397 -6.369 -2.122 1.00 4.05 H new ATOM 0 HB3 LYS A 3 -1.251 -7.676 -2.345 1.00 4.05 H new ATOM 0 HG2 LYS A 3 -2.204 -8.932 -0.507 1.00 72.43 H new ATOM 0 HG3 LYS A 3 -3.203 -7.576 -0.022 1.00 72.43 H new ATOM 0 HD2 LYS A 3 -3.472 -8.655 -2.826 1.00 25.40 H new ATOM 0 HD3 LYS A 3 -4.198 -9.546 -1.503 1.00 25.40 H new ATOM 0 HE2 LYS A 3 -4.687 -6.578 -1.947 1.00 62.53 H new ATOM 0 HE3 LYS A 3 -5.690 -7.820 -2.670 1.00 62.53 H new ATOM 0 HZ1 LYS A 3 -6.760 -7.227 -0.696 1.00 34.40 H new ATOM 0 HZ2 LYS A 3 -5.988 -8.691 -0.317 1.00 34.40 H new ATOM 0 HZ3 LYS A 3 -5.323 -7.220 0.209 1.00 34.40 H new ATOM 61 N ILE A 4 -0.421 -7.496 1.486 1.00 22.41 N ATOM 62 CA ILE A 4 0.206 -8.442 2.402 1.00 51.33 C ATOM 63 C ILE A 4 -0.256 -9.868 2.121 1.00 43.45 C ATOM 64 O ILE A 4 -1.395 -10.231 2.412 1.00 33.23 O ATOM 65 CB ILE A 4 -0.104 -8.094 3.870 1.00 52.35 C ATOM 66 CG1 ILE A 4 0.218 -6.624 4.147 1.00 25.01 C ATOM 67 CG2 ILE A 4 0.681 -9.000 4.806 1.00 72.00 C ATOM 68 CD1 ILE A 4 1.681 -6.283 3.970 1.00 5.32 C ATOM 0 H ILE A 4 -1.112 -6.883 1.919 1.00 22.41 H new ATOM 0 HA ILE A 4 1.282 -8.372 2.240 1.00 51.33 H new ATOM 0 HB ILE A 4 -1.167 -8.253 4.050 1.00 52.35 H new ATOM 0 HG12 ILE A 4 -0.376 -5.998 3.481 1.00 25.01 H new ATOM 0 HG13 ILE A 4 -0.083 -6.380 5.166 1.00 25.01 H new ATOM 0 HG21 ILE A 4 0.451 -8.742 5.840 1.00 72.00 H new ATOM 0 HG22 ILE A 4 0.407 -10.039 4.622 1.00 72.00 H new ATOM 0 HG23 ILE A 4 1.748 -8.870 4.628 1.00 72.00 H new ATOM 0 HD11 ILE A 4 1.836 -5.225 4.183 1.00 5.32 H new ATOM 0 HD12 ILE A 4 2.280 -6.883 4.655 1.00 5.32 H new ATOM 0 HD13 ILE A 4 1.982 -6.495 2.944 1.00 5.32 H new ATOM 80 N TYR A 5 0.637 -10.672 1.554 1.00 40.50 N ATOM 81 CA TYR A 5 0.322 -12.058 1.233 1.00 75.33 C ATOM 82 C TYR A 5 0.792 -12.995 2.341 1.00 14.15 C ATOM 83 O TYR A 5 1.645 -12.651 3.160 1.00 73.01 O ATOM 84 CB TYR A 5 0.969 -12.456 -0.095 1.00 33.31 C ATOM 85 CG TYR A 5 0.113 -12.148 -1.302 1.00 55.14 C ATOM 86 CD1 TYR A 5 -1.199 -12.599 -1.382 1.00 33.15 C ATOM 87 CD2 TYR A 5 0.615 -11.407 -2.364 1.00 44.43 C ATOM 88 CE1 TYR A 5 -1.985 -12.321 -2.483 1.00 13.50 C ATOM 89 CE2 TYR A 5 -0.164 -11.122 -3.469 1.00 3.00 C ATOM 90 CZ TYR A 5 -1.463 -11.581 -3.524 1.00 31.22 C ATOM 91 OH TYR A 5 -2.242 -11.301 -4.623 1.00 60.11 O ATOM 0 H TYR A 5 1.585 -10.387 1.307 1.00 40.50 H new ATOM 0 HA TYR A 5 -0.761 -12.146 1.143 1.00 75.33 H new ATOM 0 HB2 TYR A 5 1.923 -11.938 -0.195 1.00 33.31 H new ATOM 0 HB3 TYR A 5 1.187 -13.524 -0.078 1.00 33.31 H new ATOM 0 HD1 TYR A 5 -1.611 -13.177 -0.568 1.00 33.15 H new ATOM 0 HD2 TYR A 5 1.633 -11.047 -2.325 1.00 44.43 H new ATOM 0 HE1 TYR A 5 -3.002 -12.681 -2.529 1.00 13.50 H new ATOM 0 HE2 TYR A 5 0.242 -10.543 -4.285 1.00 3.00 H new ATOM 0 HH TYR A 5 -3.182 -11.248 -4.352 1.00 60.11 H new ATOM 101 N PRO A 6 0.223 -14.209 2.370 1.00 75.24 N ATOM 102 CA PRO A 6 0.568 -15.222 3.371 1.00 33.25 C ATOM 103 C PRO A 6 1.974 -15.778 3.173 1.00 12.13 C ATOM 104 O PRO A 6 2.375 -16.094 2.053 1.00 75.21 O ATOM 105 CB PRO A 6 -0.477 -16.317 3.143 1.00 32.23 C ATOM 106 CG PRO A 6 -0.887 -16.159 1.720 1.00 70.13 C ATOM 107 CD PRO A 6 -0.801 -14.687 1.425 1.00 13.03 C ATOM 0 HA PRO A 6 0.564 -14.814 4.382 1.00 33.25 H new ATOM 0 HB2 PRO A 6 -0.060 -17.307 3.327 1.00 32.23 H new ATOM 0 HB3 PRO A 6 -1.327 -16.199 3.815 1.00 32.23 H new ATOM 0 HG2 PRO A 6 -0.232 -16.728 1.060 1.00 70.13 H new ATOM 0 HG3 PRO A 6 -1.900 -16.530 1.562 1.00 70.13 H new ATOM 0 HD2 PRO A 6 -0.512 -14.501 0.391 1.00 13.03 H new ATOM 0 HD3 PRO A 6 -1.758 -14.189 1.583 1.00 13.03 H new ATOM 115 N TYR A 7 2.718 -15.895 4.267 1.00 2.22 N ATOM 116 CA TYR A 7 4.081 -16.411 4.213 1.00 53.11 C ATOM 117 C TYR A 7 4.085 -17.906 3.907 1.00 4.34 C ATOM 118 O TYR A 7 4.984 -18.410 3.233 1.00 35.12 O ATOM 119 CB TYR A 7 4.801 -16.147 5.536 1.00 25.20 C ATOM 120 CG TYR A 7 6.154 -16.817 5.633 1.00 14.10 C ATOM 121 CD1 TYR A 7 7.261 -16.288 4.982 1.00 62.21 C ATOM 122 CD2 TYR A 7 6.324 -17.978 6.377 1.00 74.21 C ATOM 123 CE1 TYR A 7 8.498 -16.897 5.067 1.00 21.22 C ATOM 124 CE2 TYR A 7 7.557 -18.593 6.469 1.00 22.30 C ATOM 125 CZ TYR A 7 8.641 -18.049 5.812 1.00 21.30 C ATOM 126 OH TYR A 7 9.872 -18.658 5.901 1.00 70.24 O ATOM 0 H TYR A 7 2.400 -15.640 5.202 1.00 2.22 H new ATOM 0 HA TYR A 7 4.608 -15.893 3.411 1.00 53.11 H new ATOM 0 HB2 TYR A 7 4.927 -15.072 5.663 1.00 25.20 H new ATOM 0 HB3 TYR A 7 4.173 -16.494 6.357 1.00 25.20 H new ATOM 0 HD1 TYR A 7 7.153 -15.385 4.399 1.00 62.21 H new ATOM 0 HD2 TYR A 7 5.477 -18.407 6.892 1.00 74.21 H new ATOM 0 HE1 TYR A 7 9.348 -16.474 4.553 1.00 21.22 H new ATOM 0 HE2 TYR A 7 7.672 -19.495 7.052 1.00 22.30 H new ATOM 0 HH TYR A 7 10.374 -18.503 5.074 1.00 70.24 H new ATOM 136 N ASP A 8 3.075 -18.608 4.408 1.00 21.00 N ATOM 137 CA ASP A 8 2.960 -20.045 4.188 1.00 30.13 C ATOM 138 C ASP A 8 2.755 -20.354 2.708 1.00 1.25 C ATOM 139 O ASP A 8 3.193 -21.393 2.215 1.00 75.04 O ATOM 140 CB ASP A 8 1.801 -20.616 5.006 1.00 31.55 C ATOM 141 CG ASP A 8 0.532 -19.800 4.860 1.00 34.45 C ATOM 142 OD1 ASP A 8 -0.256 -20.088 3.934 1.00 4.42 O ATOM 143 OD2 ASP A 8 0.325 -18.875 5.673 1.00 71.11 O ATOM 0 H ASP A 8 2.324 -18.206 4.969 1.00 21.00 H new ATOM 0 HA ASP A 8 3.889 -20.513 4.513 1.00 30.13 H new ATOM 0 HB2 ASP A 8 1.608 -21.641 4.691 1.00 31.55 H new ATOM 0 HB3 ASP A 8 2.086 -20.654 6.057 1.00 31.55 H new ATOM 148 N SER A 9 2.086 -19.445 2.007 1.00 42.45 N ATOM 149 CA SER A 9 1.819 -19.622 0.584 1.00 12.01 C ATOM 150 C SER A 9 2.883 -18.927 -0.260 1.00 23.24 C ATOM 151 O SER A 9 3.136 -19.312 -1.402 1.00 21.41 O ATOM 152 CB SER A 9 0.435 -19.074 0.232 1.00 74.05 C ATOM 153 OG SER A 9 -0.392 -19.001 1.380 1.00 54.41 O ATOM 0 H SER A 9 1.719 -18.579 2.401 1.00 42.45 H new ATOM 0 HA SER A 9 1.847 -20.689 0.365 1.00 12.01 H new ATOM 0 HB2 SER A 9 0.535 -18.083 -0.212 1.00 74.05 H new ATOM 0 HB3 SER A 9 -0.033 -19.713 -0.517 1.00 74.05 H new ATOM 0 HG SER A 9 -1.312 -18.801 1.108 1.00 54.41 H new ATOM 159 N LEU A 10 3.504 -17.901 0.311 1.00 4.11 N ATOM 160 CA LEU A 10 4.543 -17.151 -0.387 1.00 54.40 C ATOM 161 C LEU A 10 5.834 -17.957 -0.471 1.00 62.53 C ATOM 162 O LEU A 10 6.537 -17.919 -1.482 1.00 12.11 O ATOM 163 CB LEU A 10 4.804 -15.821 0.323 1.00 33.23 C ATOM 164 CG LEU A 10 4.013 -14.618 -0.192 1.00 32.31 C ATOM 165 CD1 LEU A 10 4.332 -13.378 0.628 1.00 25.24 C ATOM 166 CD2 LEU A 10 4.309 -14.377 -1.665 1.00 11.51 C ATOM 0 H LEU A 10 3.306 -17.569 1.255 1.00 4.11 H new ATOM 0 HA LEU A 10 4.194 -16.953 -1.400 1.00 54.40 H new ATOM 0 HB2 LEU A 10 4.583 -15.949 1.383 1.00 33.23 H new ATOM 0 HB3 LEU A 10 5.867 -15.592 0.244 1.00 33.23 H new ATOM 0 HG LEU A 10 2.950 -14.834 -0.086 1.00 32.31 H new ATOM 0 HD11 LEU A 10 3.760 -12.532 0.247 1.00 25.24 H new ATOM 0 HD12 LEU A 10 4.068 -13.554 1.671 1.00 25.24 H new ATOM 0 HD13 LEU A 10 5.397 -13.158 0.555 1.00 25.24 H new ATOM 0 HD21 LEU A 10 3.738 -13.517 -2.015 1.00 11.51 H new ATOM 0 HD22 LEU A 10 5.374 -14.183 -1.795 1.00 11.51 H new ATOM 0 HD23 LEU A 10 4.028 -15.258 -2.242 1.00 11.51 H new ATOM 178 N ILE A 11 6.140 -18.689 0.595 1.00 14.32 N ATOM 179 CA ILE A 11 7.345 -19.507 0.640 1.00 73.40 C ATOM 180 C ILE A 11 7.429 -20.429 -0.572 1.00 51.43 C ATOM 181 O ILE A 11 6.497 -21.180 -0.861 1.00 2.14 O ATOM 182 CB ILE A 11 7.400 -20.359 1.922 1.00 13.43 C ATOM 183 CG1 ILE A 11 6.089 -21.125 2.108 1.00 32.42 C ATOM 184 CG2 ILE A 11 7.681 -19.478 3.131 1.00 73.22 C ATOM 185 CD1 ILE A 11 6.063 -21.985 3.353 1.00 54.33 C ATOM 0 H ILE A 11 5.569 -18.732 1.439 1.00 14.32 H new ATOM 0 HA ILE A 11 8.192 -18.821 0.632 1.00 73.40 H new ATOM 0 HB ILE A 11 8.211 -21.081 1.826 1.00 13.43 H new ATOM 0 HG12 ILE A 11 5.265 -20.413 2.151 1.00 32.42 H new ATOM 0 HG13 ILE A 11 5.920 -21.757 1.236 1.00 32.42 H new ATOM 0 HG21 ILE A 11 7.717 -20.094 4.030 1.00 73.22 H new ATOM 0 HG22 ILE A 11 8.638 -18.973 2.999 1.00 73.22 H new ATOM 0 HG23 ILE A 11 6.890 -18.735 3.232 1.00 73.22 H new ATOM 0 HD11 ILE A 11 5.104 -22.499 3.420 1.00 54.33 H new ATOM 0 HD12 ILE A 11 6.866 -22.721 3.304 1.00 54.33 H new ATOM 0 HD13 ILE A 11 6.200 -21.356 4.233 1.00 54.33 H new ATOM 197 N VAL A 12 8.553 -20.367 -1.279 1.00 1.41 N ATOM 198 CA VAL A 12 8.761 -21.197 -2.459 1.00 21.30 C ATOM 199 C VAL A 12 8.710 -22.679 -2.104 1.00 25.02 C ATOM 200 O VAL A 12 8.392 -23.521 -2.945 1.00 3.52 O ATOM 201 CB VAL A 12 10.111 -20.888 -3.132 1.00 44.22 C ATOM 202 CG1 VAL A 12 10.287 -19.388 -3.312 1.00 4.34 C ATOM 203 CG2 VAL A 12 11.257 -21.474 -2.322 1.00 23.35 C ATOM 0 H VAL A 12 9.334 -19.750 -1.055 1.00 1.41 H new ATOM 0 HA VAL A 12 7.955 -20.965 -3.155 1.00 21.30 H new ATOM 0 HB VAL A 12 10.120 -21.352 -4.118 1.00 44.22 H new ATOM 0 HG11 VAL A 12 11.247 -19.189 -3.789 1.00 4.34 H new ATOM 0 HG12 VAL A 12 9.483 -19.000 -3.938 1.00 4.34 H new ATOM 0 HG13 VAL A 12 10.257 -18.899 -2.338 1.00 4.34 H new ATOM 0 HG21 VAL A 12 12.203 -21.246 -2.813 1.00 23.35 H new ATOM 0 HG22 VAL A 12 11.254 -21.042 -1.321 1.00 23.35 H new ATOM 0 HG23 VAL A 12 11.137 -22.555 -2.251 1.00 23.35 H new ATOM 213 N THR A 13 9.026 -22.993 -0.851 1.00 42.11 N ATOM 214 CA THR A 13 9.018 -24.373 -0.384 1.00 35.33 C ATOM 215 C THR A 13 7.633 -24.995 -0.531 1.00 4.15 C ATOM 216 O THR A 13 7.490 -26.217 -0.546 1.00 11.41 O ATOM 217 CB THR A 13 9.458 -24.470 1.089 1.00 32.52 C ATOM 218 OG1 THR A 13 9.421 -25.835 1.523 1.00 40.25 O ATOM 219 CG2 THR A 13 8.559 -23.626 1.980 1.00 51.14 C ATOM 0 H THR A 13 9.291 -22.309 -0.142 1.00 42.11 H new ATOM 0 HA THR A 13 9.727 -24.921 -1.004 1.00 35.33 H new ATOM 0 HB THR A 13 10.477 -24.092 1.165 1.00 32.52 H new ATOM 0 HG1 THR A 13 9.704 -25.888 2.460 1.00 40.25 H new ATOM 0 HG21 THR A 13 8.890 -23.711 3.015 1.00 51.14 H new ATOM 0 HG22 THR A 13 8.611 -22.583 1.667 1.00 51.14 H new ATOM 0 HG23 THR A 13 7.531 -23.978 1.898 1.00 51.14 H new ATOM 227 N ASN A 14 6.617 -24.146 -0.639 1.00 12.51 N ATOM 228 CA ASN A 14 5.243 -24.613 -0.785 1.00 11.51 C ATOM 229 C ASN A 14 4.836 -24.656 -2.255 1.00 4.23 C ATOM 230 O ASN A 14 3.664 -24.845 -2.580 1.00 1.33 O ATOM 231 CB ASN A 14 4.288 -23.705 -0.007 1.00 3.24 C ATOM 232 CG ASN A 14 3.023 -24.425 0.418 1.00 51.24 C ATOM 233 OD1 ASN A 14 1.978 -24.294 -0.220 1.00 32.31 O ATOM 234 ND2 ASN A 14 3.112 -25.190 1.499 1.00 10.35 N ATOM 0 H ASN A 14 6.719 -23.131 -0.628 1.00 12.51 H new ATOM 0 HA ASN A 14 5.185 -25.623 -0.380 1.00 11.51 H new ATOM 0 HB2 ASN A 14 4.797 -23.319 0.876 1.00 3.24 H new ATOM 0 HB3 ASN A 14 4.024 -22.846 -0.624 1.00 3.24 H new ATOM 0 HD21 ASN A 14 2.293 -25.699 1.832 1.00 10.35 H new ATOM 0 HD22 ASN A 14 3.999 -25.269 1.996 1.00 10.35 H new ATOM 241 N ARG A 15 5.813 -24.480 -3.139 1.00 22.14 N ATOM 242 CA ARG A 15 5.557 -24.498 -4.574 1.00 24.42 C ATOM 243 C ARG A 15 4.960 -25.836 -5.003 1.00 4.45 C ATOM 244 O ARG A 15 4.261 -25.919 -6.013 1.00 5.11 O ATOM 245 CB ARG A 15 6.850 -24.234 -5.347 1.00 44.43 C ATOM 246 CG ARG A 15 7.130 -22.758 -5.580 1.00 15.31 C ATOM 247 CD ARG A 15 8.603 -22.507 -5.860 1.00 51.22 C ATOM 248 NE ARG A 15 8.941 -22.741 -7.261 1.00 62.34 N ATOM 249 CZ ARG A 15 9.330 -23.919 -7.736 1.00 73.45 C ATOM 250 NH1 ARG A 15 9.428 -24.965 -6.927 1.00 0.33 N ATOM 251 NH2 ARG A 15 9.620 -24.054 -9.024 1.00 43.22 N ATOM 0 H ARG A 15 6.789 -24.323 -2.886 1.00 22.14 H new ATOM 0 HA ARG A 15 4.839 -23.710 -4.800 1.00 24.42 H new ATOM 0 HB2 ARG A 15 7.686 -24.672 -4.801 1.00 44.43 H new ATOM 0 HB3 ARG A 15 6.798 -24.742 -6.310 1.00 44.43 H new ATOM 0 HG2 ARG A 15 6.533 -22.402 -6.420 1.00 15.31 H new ATOM 0 HG3 ARG A 15 6.822 -22.186 -4.705 1.00 15.31 H new ATOM 0 HD2 ARG A 15 8.853 -21.480 -5.593 1.00 51.22 H new ATOM 0 HD3 ARG A 15 9.208 -23.157 -5.228 1.00 51.22 H new ATOM 0 HE ARG A 15 8.875 -21.957 -7.910 1.00 62.34 H new ATOM 0 HH11 ARG A 15 9.204 -24.867 -5.937 1.00 0.33 H new ATOM 0 HH12 ARG A 15 9.727 -25.868 -7.295 1.00 0.33 H new ATOM 0 HH21 ARG A 15 9.544 -23.253 -9.651 1.00 43.22 H new ATOM 0 HH22 ARG A 15 9.919 -24.959 -9.387 1.00 43.22 H new ATOM 265 N ILE A 16 5.241 -26.878 -4.228 1.00 62.44 N ATOM 266 CA ILE A 16 4.732 -28.211 -4.528 1.00 54.20 C ATOM 267 C ILE A 16 3.239 -28.308 -4.231 1.00 22.24 C ATOM 268 O ILE A 16 2.510 -29.044 -4.896 1.00 21.12 O ATOM 269 CB ILE A 16 5.476 -29.292 -3.723 1.00 32.32 C ATOM 270 CG1 ILE A 16 5.043 -30.687 -4.179 1.00 72.11 C ATOM 271 CG2 ILE A 16 5.221 -29.113 -2.234 1.00 32.33 C ATOM 272 CD1 ILE A 16 5.448 -31.011 -5.600 1.00 50.11 C ATOM 0 H ILE A 16 5.818 -26.825 -3.388 1.00 62.44 H new ATOM 0 HA ILE A 16 4.901 -28.382 -5.591 1.00 54.20 H new ATOM 0 HB ILE A 16 6.546 -29.187 -3.904 1.00 32.32 H new ATOM 0 HG12 ILE A 16 5.475 -31.430 -3.508 1.00 72.11 H new ATOM 0 HG13 ILE A 16 3.960 -30.769 -4.091 1.00 72.11 H new ATOM 0 HG21 ILE A 16 5.754 -29.885 -1.678 1.00 32.33 H new ATOM 0 HG22 ILE A 16 5.574 -28.131 -1.920 1.00 32.33 H new ATOM 0 HG23 ILE A 16 4.152 -29.195 -2.035 1.00 32.33 H new ATOM 0 HD11 ILE A 16 5.108 -32.015 -5.855 1.00 50.11 H new ATOM 0 HD12 ILE A 16 4.995 -30.291 -6.281 1.00 50.11 H new ATOM 0 HD13 ILE A 16 6.533 -30.961 -5.689 1.00 50.11 H new ATOM 284 N ARG A 17 2.791 -27.560 -3.228 1.00 41.41 N ATOM 285 CA ARG A 17 1.385 -27.561 -2.843 1.00 1.13 C ATOM 286 C ARG A 17 0.621 -26.457 -3.568 1.00 64.14 C ATOM 287 O ARG A 17 -0.334 -26.724 -4.297 1.00 61.54 O ATOM 288 CB ARG A 17 1.249 -27.380 -1.330 1.00 33.33 C ATOM 289 CG ARG A 17 2.221 -28.227 -0.525 1.00 62.12 C ATOM 290 CD ARG A 17 2.089 -29.703 -0.867 1.00 24.00 C ATOM 291 NE ARG A 17 0.706 -30.163 -0.782 1.00 20.24 N ATOM 292 CZ ARG A 17 0.304 -31.363 -1.187 1.00 2.32 C ATOM 293 NH1 ARG A 17 1.176 -32.218 -1.702 1.00 71.43 N ATOM 294 NH2 ARG A 17 -0.972 -31.709 -1.076 1.00 51.43 N ATOM 0 H ARG A 17 3.381 -26.946 -2.667 1.00 41.41 H new ATOM 0 HA ARG A 17 0.957 -28.522 -3.128 1.00 1.13 H new ATOM 0 HB2 ARG A 17 1.405 -26.330 -1.083 1.00 33.33 H new ATOM 0 HB3 ARG A 17 0.230 -27.630 -1.033 1.00 33.33 H new ATOM 0 HG2 ARG A 17 3.241 -27.897 -0.721 1.00 62.12 H new ATOM 0 HG3 ARG A 17 2.037 -28.081 0.539 1.00 62.12 H new ATOM 0 HD2 ARG A 17 2.468 -29.877 -1.874 1.00 24.00 H new ATOM 0 HD3 ARG A 17 2.708 -30.289 -0.188 1.00 24.00 H new ATOM 0 HE ARG A 17 0.010 -29.528 -0.390 1.00 20.24 H new ATOM 0 HH11 ARG A 17 2.158 -31.955 -1.788 1.00 71.43 H new ATOM 0 HH12 ARG A 17 0.865 -33.139 -2.012 1.00 71.43 H new ATOM 0 HH21 ARG A 17 -1.645 -31.054 -0.679 1.00 51.43 H new ATOM 0 HH22 ARG A 17 -1.279 -32.630 -1.387 1.00 51.43 H new ATOM 308 N VAL A 18 1.049 -25.215 -3.363 1.00 71.30 N ATOM 309 CA VAL A 18 0.406 -24.071 -3.998 1.00 3.33 C ATOM 310 C VAL A 18 1.440 -23.107 -4.568 1.00 43.35 C ATOM 311 O VAL A 18 2.566 -23.023 -4.077 1.00 11.14 O ATOM 312 CB VAL A 18 -0.495 -23.311 -3.006 1.00 23.53 C ATOM 313 CG1 VAL A 18 0.344 -22.632 -1.935 1.00 4.44 C ATOM 314 CG2 VAL A 18 -1.360 -22.298 -3.740 1.00 65.21 C ATOM 0 H VAL A 18 1.838 -24.976 -2.762 1.00 71.30 H new ATOM 0 HA VAL A 18 -0.208 -24.463 -4.809 1.00 3.33 H new ATOM 0 HB VAL A 18 -1.153 -24.029 -2.517 1.00 23.53 H new ATOM 0 HG11 VAL A 18 -0.310 -22.100 -1.244 1.00 4.44 H new ATOM 0 HG12 VAL A 18 0.915 -23.383 -1.389 1.00 4.44 H new ATOM 0 HG13 VAL A 18 1.029 -21.925 -2.403 1.00 4.44 H new ATOM 0 HG21 VAL A 18 -1.990 -21.771 -3.024 1.00 65.21 H new ATOM 0 HG22 VAL A 18 -0.722 -21.582 -4.258 1.00 65.21 H new ATOM 0 HG23 VAL A 18 -1.989 -22.814 -4.465 1.00 65.21 H new ATOM 324 N LYS A 19 1.051 -22.379 -5.610 1.00 22.10 N ATOM 325 CA LYS A 19 1.943 -21.418 -6.249 1.00 33.25 C ATOM 326 C LYS A 19 1.550 -19.989 -5.888 1.00 4.11 C ATOM 327 O LYS A 19 0.516 -19.758 -5.259 1.00 45.15 O ATOM 328 CB LYS A 19 1.916 -21.598 -7.768 1.00 55.21 C ATOM 329 CG LYS A 19 2.061 -23.043 -8.212 1.00 42.14 C ATOM 330 CD LYS A 19 0.825 -23.526 -8.951 1.00 75.42 C ATOM 331 CE LYS A 19 -0.235 -24.039 -7.988 1.00 72.10 C ATOM 332 NZ LYS A 19 -1.148 -25.020 -8.638 1.00 63.02 N ATOM 0 H LYS A 19 0.123 -22.436 -6.030 1.00 22.10 H new ATOM 0 HA LYS A 19 2.954 -21.601 -5.886 1.00 33.25 H new ATOM 0 HB2 LYS A 19 0.978 -21.200 -8.156 1.00 55.21 H new ATOM 0 HB3 LYS A 19 2.720 -21.009 -8.210 1.00 55.21 H new ATOM 0 HG2 LYS A 19 2.933 -23.140 -8.858 1.00 42.14 H new ATOM 0 HG3 LYS A 19 2.236 -23.676 -7.342 1.00 42.14 H new ATOM 0 HD2 LYS A 19 0.414 -22.711 -9.546 1.00 75.42 H new ATOM 0 HD3 LYS A 19 1.102 -24.319 -9.646 1.00 75.42 H new ATOM 0 HE2 LYS A 19 0.249 -24.507 -7.131 1.00 72.10 H new ATOM 0 HE3 LYS A 19 -0.816 -23.199 -7.607 1.00 72.10 H new ATOM 0 HZ1 LYS A 19 -1.855 -25.345 -7.949 1.00 63.02 H new ATOM 0 HZ2 LYS A 19 -1.630 -24.567 -9.441 1.00 63.02 H new ATOM 0 HZ3 LYS A 19 -0.597 -25.834 -8.979 1.00 63.02 H new ATOM 346 N LEU A 20 2.381 -19.033 -6.290 1.00 74.11 N ATOM 347 CA LEU A 20 2.120 -17.625 -6.011 1.00 35.35 C ATOM 348 C LEU A 20 1.099 -17.056 -6.991 1.00 1.33 C ATOM 349 O LEU A 20 0.963 -17.520 -8.123 1.00 1.30 O ATOM 350 CB LEU A 20 3.419 -16.821 -6.084 1.00 54.02 C ATOM 351 CG LEU A 20 4.645 -17.466 -5.439 1.00 22.44 C ATOM 352 CD1 LEU A 20 5.919 -16.779 -5.906 1.00 55.22 C ATOM 353 CD2 LEU A 20 4.537 -17.418 -3.922 1.00 20.15 C ATOM 0 H LEU A 20 3.241 -19.207 -6.810 1.00 74.11 H new ATOM 0 HA LEU A 20 1.710 -17.549 -5.004 1.00 35.35 H new ATOM 0 HB2 LEU A 20 3.645 -16.628 -7.133 1.00 54.02 H new ATOM 0 HB3 LEU A 20 3.251 -15.854 -5.611 1.00 54.02 H new ATOM 0 HG LEU A 20 4.686 -18.510 -5.748 1.00 22.44 H new ATOM 0 HD11 LEU A 20 6.781 -17.252 -5.436 1.00 55.22 H new ATOM 0 HD12 LEU A 20 6.003 -16.866 -6.989 1.00 55.22 H new ATOM 0 HD13 LEU A 20 5.887 -15.726 -5.628 1.00 55.22 H new ATOM 0 HD21 LEU A 20 5.419 -17.882 -3.480 1.00 20.15 H new ATOM 0 HD22 LEU A 20 4.470 -16.380 -3.595 1.00 20.15 H new ATOM 0 HD23 LEU A 20 3.645 -17.957 -3.603 1.00 20.15 H new ATOM 365 N PRO A 21 0.365 -16.024 -6.548 1.00 70.02 N ATOM 366 CA PRO A 21 -0.654 -15.367 -7.372 1.00 11.32 C ATOM 367 C PRO A 21 -0.045 -14.568 -8.519 1.00 74.24 C ATOM 368 O PRO A 21 1.153 -14.660 -8.786 1.00 40.43 O ATOM 369 CB PRO A 21 -1.359 -14.432 -6.385 1.00 71.51 C ATOM 370 CG PRO A 21 -0.345 -14.164 -5.327 1.00 50.44 C ATOM 371 CD PRO A 21 0.474 -15.419 -5.210 1.00 33.51 C ATOM 0 HA PRO A 21 -1.319 -16.087 -7.849 1.00 11.32 H new ATOM 0 HB2 PRO A 21 -1.677 -13.510 -6.871 1.00 71.51 H new ATOM 0 HB3 PRO A 21 -2.252 -14.897 -5.968 1.00 71.51 H new ATOM 0 HG2 PRO A 21 0.281 -13.313 -5.594 1.00 50.44 H new ATOM 0 HG3 PRO A 21 -0.825 -13.922 -4.379 1.00 50.44 H new ATOM 0 HD2 PRO A 21 1.510 -15.200 -4.951 1.00 33.51 H new ATOM 0 HD3 PRO A 21 0.086 -16.082 -4.437 1.00 33.51 H new ATOM 379 N LYS A 22 -0.878 -13.784 -9.196 1.00 33.43 N ATOM 380 CA LYS A 22 -0.423 -12.968 -10.314 1.00 44.53 C ATOM 381 C LYS A 22 -0.080 -11.555 -9.852 1.00 53.33 C ATOM 382 O LYS A 22 0.854 -10.934 -10.361 1.00 35.31 O ATOM 383 CB LYS A 22 -1.496 -12.913 -11.404 1.00 32.35 C ATOM 384 CG LYS A 22 -2.729 -12.121 -11.004 1.00 30.55 C ATOM 385 CD LYS A 22 -3.997 -12.739 -11.570 1.00 25.33 C ATOM 386 CE LYS A 22 -4.284 -14.095 -10.943 1.00 21.02 C ATOM 387 NZ LYS A 22 -5.307 -14.002 -9.865 1.00 0.03 N ATOM 0 H LYS A 22 -1.873 -13.697 -8.989 1.00 33.43 H new ATOM 0 HA LYS A 22 0.477 -13.427 -10.723 1.00 44.53 H new ATOM 0 HB2 LYS A 22 -1.066 -12.471 -12.303 1.00 32.35 H new ATOM 0 HB3 LYS A 22 -1.795 -13.930 -11.660 1.00 32.35 H new ATOM 0 HG2 LYS A 22 -2.798 -12.078 -9.917 1.00 30.55 H new ATOM 0 HG3 LYS A 22 -2.634 -11.095 -11.358 1.00 30.55 H new ATOM 0 HD2 LYS A 22 -4.839 -12.070 -11.394 1.00 25.33 H new ATOM 0 HD3 LYS A 22 -3.898 -12.850 -12.650 1.00 25.33 H new ATOM 0 HE2 LYS A 22 -4.629 -14.785 -11.713 1.00 21.02 H new ATOM 0 HE3 LYS A 22 -3.362 -14.509 -10.534 1.00 21.02 H new ATOM 0 HZ1 LYS A 22 -5.475 -14.946 -9.463 1.00 0.03 H new ATOM 0 HZ2 LYS A 22 -4.967 -13.363 -9.118 1.00 0.03 H new ATOM 0 HZ3 LYS A 22 -6.195 -13.631 -10.260 1.00 0.03 H new ATOM 401 N ASP A 23 -0.841 -11.053 -8.885 1.00 44.04 N ATOM 402 CA ASP A 23 -0.616 -9.714 -8.353 1.00 21.00 C ATOM 403 C ASP A 23 0.452 -9.734 -7.264 1.00 62.50 C ATOM 404 O ASP A 23 0.242 -9.224 -6.164 1.00 12.23 O ATOM 405 CB ASP A 23 -1.919 -9.138 -7.796 1.00 62.20 C ATOM 406 CG ASP A 23 -3.121 -9.495 -8.648 1.00 64.24 C ATOM 407 OD1 ASP A 23 -3.083 -9.228 -9.868 1.00 32.05 O ATOM 408 OD2 ASP A 23 -4.099 -10.041 -8.096 1.00 70.12 O ATOM 0 H ASP A 23 -1.619 -11.553 -8.454 1.00 44.04 H new ATOM 0 HA ASP A 23 -0.266 -9.080 -9.168 1.00 21.00 H new ATOM 0 HB2 ASP A 23 -2.073 -9.509 -6.783 1.00 62.20 H new ATOM 0 HB3 ASP A 23 -1.834 -8.053 -7.729 1.00 62.20 H new ATOM 413 N VAL A 24 1.599 -10.329 -7.578 1.00 31.11 N ATOM 414 CA VAL A 24 2.700 -10.416 -6.627 1.00 23.34 C ATOM 415 C VAL A 24 4.047 -10.353 -7.338 1.00 22.11 C ATOM 416 O VAL A 24 4.239 -10.975 -8.383 1.00 53.00 O ATOM 417 CB VAL A 24 2.628 -11.715 -5.802 1.00 21.30 C ATOM 418 CG1 VAL A 24 2.930 -12.922 -6.678 1.00 0.50 C ATOM 419 CG2 VAL A 24 3.585 -11.650 -4.621 1.00 63.35 C ATOM 0 H VAL A 24 1.789 -10.758 -8.484 1.00 31.11 H new ATOM 0 HA VAL A 24 2.606 -9.562 -5.956 1.00 23.34 H new ATOM 0 HB VAL A 24 1.615 -11.822 -5.414 1.00 21.30 H new ATOM 0 HG11 VAL A 24 2.874 -13.830 -6.078 1.00 0.50 H new ATOM 0 HG12 VAL A 24 2.201 -12.976 -7.487 1.00 0.50 H new ATOM 0 HG13 VAL A 24 3.931 -12.825 -7.098 1.00 0.50 H new ATOM 0 HG21 VAL A 24 3.521 -12.576 -4.049 1.00 63.35 H new ATOM 0 HG22 VAL A 24 4.604 -11.518 -4.985 1.00 63.35 H new ATOM 0 HG23 VAL A 24 3.317 -10.809 -3.981 1.00 63.35 H new ATOM 429 N ASP A 25 4.978 -9.598 -6.764 1.00 71.44 N ATOM 430 CA ASP A 25 6.309 -9.455 -7.343 1.00 10.34 C ATOM 431 C ASP A 25 7.256 -10.519 -6.798 1.00 30.33 C ATOM 432 O ASP A 25 6.994 -11.123 -5.757 1.00 5.52 O ATOM 433 CB ASP A 25 6.867 -8.061 -7.051 1.00 40.33 C ATOM 434 CG ASP A 25 6.876 -7.739 -5.570 1.00 4.21 C ATOM 435 OD1 ASP A 25 7.360 -8.579 -4.783 1.00 30.43 O ATOM 436 OD2 ASP A 25 6.401 -6.646 -5.198 1.00 0.23 O ATOM 0 H ASP A 25 4.836 -9.076 -5.899 1.00 71.44 H new ATOM 0 HA ASP A 25 6.226 -9.587 -8.422 1.00 10.34 H new ATOM 0 HB2 ASP A 25 7.882 -7.990 -7.441 1.00 40.33 H new ATOM 0 HB3 ASP A 25 6.270 -7.316 -7.578 1.00 40.33 H new ATOM 441 N ARG A 26 8.356 -10.745 -7.509 1.00 31.45 N ATOM 442 CA ARG A 26 9.340 -11.739 -7.097 1.00 45.14 C ATOM 443 C ARG A 26 10.659 -11.072 -6.716 1.00 60.22 C ATOM 444 O ARG A 26 11.451 -11.627 -5.953 1.00 54.11 O ATOM 445 CB ARG A 26 9.574 -12.751 -8.220 1.00 64.22 C ATOM 446 CG ARG A 26 8.295 -13.224 -8.890 1.00 73.31 C ATOM 447 CD ARG A 26 7.370 -13.916 -7.900 1.00 45.31 C ATOM 448 NE ARG A 26 6.242 -14.562 -8.564 1.00 52.14 N ATOM 449 CZ ARG A 26 6.319 -15.747 -9.159 1.00 25.30 C ATOM 450 NH1 ARG A 26 7.466 -16.412 -9.172 1.00 23.45 N ATOM 451 NH2 ARG A 26 5.248 -16.270 -9.742 1.00 42.22 N ATOM 0 H ARG A 26 8.588 -10.254 -8.372 1.00 31.45 H new ATOM 0 HA ARG A 26 8.950 -12.260 -6.223 1.00 45.14 H new ATOM 0 HB2 ARG A 26 10.224 -12.303 -8.972 1.00 64.22 H new ATOM 0 HB3 ARG A 26 10.103 -13.614 -7.815 1.00 64.22 H new ATOM 0 HG2 ARG A 26 7.781 -12.373 -9.336 1.00 73.31 H new ATOM 0 HG3 ARG A 26 8.540 -13.910 -9.701 1.00 73.31 H new ATOM 0 HD2 ARG A 26 7.933 -14.660 -7.337 1.00 45.31 H new ATOM 0 HD3 ARG A 26 6.998 -13.186 -7.181 1.00 45.31 H new ATOM 0 HE ARG A 26 5.345 -14.077 -8.571 1.00 52.14 H new ATOM 0 HH11 ARG A 26 8.292 -16.014 -8.724 1.00 23.45 H new ATOM 0 HH12 ARG A 26 7.523 -17.322 -9.629 1.00 23.45 H new ATOM 0 HH21 ARG A 26 4.364 -15.762 -9.734 1.00 42.22 H new ATOM 0 HH22 ARG A 26 5.309 -17.180 -10.198 1.00 42.22 H new ATOM 465 N THR A 27 10.889 -9.878 -7.253 1.00 45.02 N ATOM 466 CA THR A 27 12.112 -9.136 -6.971 1.00 71.23 C ATOM 467 C THR A 27 12.078 -8.531 -5.573 1.00 14.13 C ATOM 468 O THR A 27 13.065 -8.584 -4.839 1.00 13.31 O ATOM 469 CB THR A 27 12.336 -8.012 -8.000 1.00 5.43 C ATOM 470 OG1 THR A 27 11.912 -8.443 -9.297 1.00 53.45 O ATOM 471 CG2 THR A 27 13.802 -7.608 -8.048 1.00 43.35 C ATOM 0 H THR A 27 10.244 -9.404 -7.886 1.00 45.02 H new ATOM 0 HA THR A 27 12.936 -9.847 -7.035 1.00 71.23 H new ATOM 0 HB THR A 27 11.746 -7.147 -7.695 1.00 5.43 H new ATOM 0 HG1 THR A 27 12.056 -7.722 -9.945 1.00 53.45 H new ATOM 0 HG21 THR A 27 13.936 -6.813 -8.781 1.00 43.35 H new ATOM 0 HG22 THR A 27 14.114 -7.252 -7.066 1.00 43.35 H new ATOM 0 HG23 THR A 27 14.408 -8.469 -8.331 1.00 43.35 H new ATOM 479 N ARG A 28 10.935 -7.957 -5.209 1.00 45.33 N ATOM 480 CA ARG A 28 10.773 -7.341 -3.898 1.00 3.21 C ATOM 481 C ARG A 28 9.557 -7.912 -3.176 1.00 33.15 C ATOM 482 O ARG A 28 8.588 -7.199 -2.910 1.00 32.54 O ATOM 483 CB ARG A 28 10.631 -5.824 -4.037 1.00 63.03 C ATOM 484 CG ARG A 28 11.890 -5.138 -4.544 1.00 74.52 C ATOM 485 CD ARG A 28 12.675 -4.504 -3.407 1.00 62.40 C ATOM 486 NE ARG A 28 12.032 -3.293 -2.906 1.00 51.33 N ATOM 487 CZ ARG A 28 12.633 -2.418 -2.107 1.00 34.32 C ATOM 488 NH1 ARG A 28 13.885 -2.620 -1.720 1.00 35.22 N ATOM 489 NH2 ARG A 28 11.981 -1.339 -1.693 1.00 50.02 N ATOM 0 H ARG A 28 10.108 -7.906 -5.804 1.00 45.33 H new ATOM 0 HA ARG A 28 11.662 -7.563 -3.308 1.00 3.21 H new ATOM 0 HB2 ARG A 28 9.809 -5.605 -4.718 1.00 63.03 H new ATOM 0 HB3 ARG A 28 10.363 -5.402 -3.068 1.00 63.03 H new ATOM 0 HG2 ARG A 28 12.518 -5.864 -5.061 1.00 74.52 H new ATOM 0 HG3 ARG A 28 11.621 -4.373 -5.273 1.00 74.52 H new ATOM 0 HD2 ARG A 28 12.779 -5.222 -2.594 1.00 62.40 H new ATOM 0 HD3 ARG A 28 13.681 -4.264 -3.751 1.00 62.40 H new ATOM 0 HE ARG A 28 11.068 -3.108 -3.185 1.00 51.33 H new ATOM 0 HH11 ARG A 28 14.389 -3.449 -2.036 1.00 35.22 H new ATOM 0 HH12 ARG A 28 14.344 -1.947 -1.107 1.00 35.22 H new ATOM 0 HH21 ARG A 28 11.018 -1.181 -1.988 1.00 50.02 H new ATOM 0 HH22 ARG A 28 12.443 -0.668 -1.080 1.00 50.02 H new ATOM 503 N LEU A 29 9.613 -9.202 -2.861 1.00 45.52 N ATOM 504 CA LEU A 29 8.516 -9.870 -2.170 1.00 2.51 C ATOM 505 C LEU A 29 8.477 -9.471 -0.698 1.00 50.01 C ATOM 506 O LEU A 29 7.493 -9.723 -0.004 1.00 12.44 O ATOM 507 CB LEU A 29 8.657 -11.388 -2.295 1.00 42.54 C ATOM 508 CG LEU A 29 7.419 -12.209 -1.935 1.00 54.31 C ATOM 509 CD1 LEU A 29 6.254 -11.844 -2.843 1.00 20.23 C ATOM 510 CD2 LEU A 29 7.721 -13.697 -2.024 1.00 62.44 C ATOM 0 H LEU A 29 10.407 -9.806 -3.073 1.00 45.52 H new ATOM 0 HA LEU A 29 7.582 -9.559 -2.637 1.00 2.51 H new ATOM 0 HB2 LEU A 29 8.938 -11.623 -3.321 1.00 42.54 H new ATOM 0 HB3 LEU A 29 9.480 -11.710 -1.657 1.00 42.54 H new ATOM 0 HG LEU A 29 7.139 -11.977 -0.908 1.00 54.31 H new ATOM 0 HD11 LEU A 29 5.381 -12.438 -2.572 1.00 20.23 H new ATOM 0 HD12 LEU A 29 6.022 -10.785 -2.729 1.00 20.23 H new ATOM 0 HD13 LEU A 29 6.523 -12.047 -3.880 1.00 20.23 H new ATOM 0 HD21 LEU A 29 6.828 -14.266 -1.764 1.00 62.44 H new ATOM 0 HD22 LEU A 29 8.027 -13.946 -3.040 1.00 62.44 H new ATOM 0 HD23 LEU A 29 8.525 -13.947 -1.331 1.00 62.44 H new ATOM 522 N GLU A 30 9.553 -8.846 -0.230 1.00 62.34 N ATOM 523 CA GLU A 30 9.640 -8.412 1.159 1.00 41.22 C ATOM 524 C GLU A 30 8.500 -7.458 1.503 1.00 74.11 C ATOM 525 O GLU A 30 7.922 -7.530 2.588 1.00 60.23 O ATOM 526 CB GLU A 30 10.985 -7.731 1.420 1.00 23.03 C ATOM 527 CG GLU A 30 11.103 -6.353 0.790 1.00 31.43 C ATOM 528 CD GLU A 30 12.543 -5.907 0.629 1.00 51.22 C ATOM 529 OE1 GLU A 30 13.403 -6.390 1.395 1.00 13.01 O ATOM 530 OE2 GLU A 30 12.810 -5.075 -0.263 1.00 2.51 O ATOM 0 H GLU A 30 10.376 -8.629 -0.792 1.00 62.34 H new ATOM 0 HA GLU A 30 9.558 -9.294 1.794 1.00 41.22 H new ATOM 0 HB2 GLU A 30 11.135 -7.643 2.496 1.00 23.03 H new ATOM 0 HB3 GLU A 30 11.784 -8.366 1.037 1.00 23.03 H new ATOM 0 HG2 GLU A 30 10.618 -6.361 -0.186 1.00 31.43 H new ATOM 0 HG3 GLU A 30 10.569 -5.629 1.406 1.00 31.43 H new ATOM 537 N ARG A 31 8.182 -6.565 0.572 1.00 54.14 N ATOM 538 CA ARG A 31 7.112 -5.596 0.776 1.00 1.52 C ATOM 539 C ARG A 31 5.752 -6.286 0.810 1.00 12.04 C ATOM 540 O ARG A 31 4.760 -5.705 1.251 1.00 55.41 O ATOM 541 CB ARG A 31 7.133 -4.540 -0.331 1.00 74.32 C ATOM 542 CG ARG A 31 7.974 -3.320 0.006 1.00 63.35 C ATOM 543 CD ARG A 31 7.141 -2.234 0.668 1.00 23.42 C ATOM 544 NE ARG A 31 7.944 -1.389 1.548 1.00 51.01 N ATOM 545 CZ ARG A 31 8.773 -0.449 1.108 1.00 11.30 C ATOM 546 NH1 ARG A 31 8.907 -0.235 -0.194 1.00 0.45 N ATOM 547 NH2 ARG A 31 9.469 0.280 1.971 1.00 63.01 N ATOM 0 H ARG A 31 8.650 -6.492 -0.331 1.00 54.14 H new ATOM 0 HA ARG A 31 7.276 -5.108 1.737 1.00 1.52 H new ATOM 0 HB2 ARG A 31 7.515 -4.993 -1.246 1.00 74.32 H new ATOM 0 HB3 ARG A 31 6.111 -4.221 -0.536 1.00 74.32 H new ATOM 0 HG2 ARG A 31 8.789 -3.610 0.670 1.00 63.35 H new ATOM 0 HG3 ARG A 31 8.428 -2.928 -0.904 1.00 63.35 H new ATOM 0 HD2 ARG A 31 6.673 -1.617 -0.099 1.00 23.42 H new ATOM 0 HD3 ARG A 31 6.336 -2.693 1.242 1.00 23.42 H new ATOM 0 HE ARG A 31 7.864 -1.528 2.555 1.00 51.01 H new ATOM 0 HH11 ARG A 31 8.373 -0.793 -0.860 1.00 0.45 H new ATOM 0 HH12 ARG A 31 9.544 0.487 -0.529 1.00 0.45 H new ATOM 0 HH21 ARG A 31 9.368 0.119 2.973 1.00 63.01 H new ATOM 0 HH22 ARG A 31 10.105 1.002 1.632 1.00 63.01 H new ATOM 561 N HIS A 32 5.713 -7.529 0.342 1.00 30.52 N ATOM 562 CA HIS A 32 4.474 -8.300 0.319 1.00 4.53 C ATOM 563 C HIS A 32 4.303 -9.092 1.612 1.00 64.02 C ATOM 564 O HIS A 32 3.256 -9.695 1.848 1.00 31.35 O ATOM 565 CB HIS A 32 4.461 -9.248 -0.880 1.00 11.02 C ATOM 566 CG HIS A 32 3.950 -8.616 -2.138 1.00 2.31 C ATOM 567 ND1 HIS A 32 2.607 -8.476 -2.419 1.00 24.43 N ATOM 568 CD2 HIS A 32 4.611 -8.082 -3.192 1.00 31.30 C ATOM 569 CE1 HIS A 32 2.464 -7.886 -3.592 1.00 22.30 C ATOM 570 NE2 HIS A 32 3.665 -7.636 -4.082 1.00 20.21 N ATOM 0 H HIS A 32 6.525 -8.025 -0.027 1.00 30.52 H new ATOM 0 HA HIS A 32 3.642 -7.602 0.229 1.00 4.53 H new ATOM 0 HB2 HIS A 32 5.472 -9.616 -1.053 1.00 11.02 H new ATOM 0 HB3 HIS A 32 3.843 -10.114 -0.641 1.00 11.02 H new ATOM 0 HD1 HIS A 32 1.843 -8.781 -1.815 1.00 24.43 H new ATOM 0 HD2 HIS A 32 5.683 -8.019 -3.311 1.00 31.30 H new ATOM 0 HE1 HIS A 32 1.525 -7.648 -4.069 1.00 22.30 H new ATOM 578 N LEU A 33 5.339 -9.087 2.444 1.00 34.22 N ATOM 579 CA LEU A 33 5.304 -9.806 3.713 1.00 75.40 C ATOM 580 C LEU A 33 5.302 -8.835 4.889 1.00 32.54 C ATOM 581 O LEU A 33 6.152 -7.950 4.977 1.00 2.24 O ATOM 582 CB LEU A 33 6.501 -10.752 3.819 1.00 3.01 C ATOM 583 CG LEU A 33 6.244 -12.085 4.522 1.00 34.22 C ATOM 584 CD1 LEU A 33 5.545 -13.057 3.584 1.00 62.20 C ATOM 585 CD2 LEU A 33 7.548 -12.679 5.034 1.00 71.01 C ATOM 0 H LEU A 33 6.213 -8.593 2.263 1.00 34.22 H new ATOM 0 HA LEU A 33 4.384 -10.390 3.747 1.00 75.40 H new ATOM 0 HB2 LEU A 33 6.865 -10.959 2.813 1.00 3.01 H new ATOM 0 HB3 LEU A 33 7.302 -10.234 4.347 1.00 3.01 H new ATOM 0 HG LEU A 33 5.591 -11.903 5.376 1.00 34.22 H new ATOM 0 HD11 LEU A 33 5.370 -14.000 4.102 1.00 62.20 H new ATOM 0 HD12 LEU A 33 4.591 -12.635 3.267 1.00 62.20 H new ATOM 0 HD13 LEU A 33 6.172 -13.234 2.710 1.00 62.20 H new ATOM 0 HD21 LEU A 33 7.345 -13.627 5.531 1.00 71.01 H new ATOM 0 HD22 LEU A 33 8.225 -12.846 4.196 1.00 71.01 H new ATOM 0 HD23 LEU A 33 8.009 -11.990 5.741 1.00 71.01 H new ATOM 597 N SER A 34 4.342 -9.010 5.792 1.00 2.35 N ATOM 598 CA SER A 34 4.229 -8.148 6.963 1.00 11.13 C ATOM 599 C SER A 34 5.570 -8.028 7.681 1.00 34.15 C ATOM 600 O SER A 34 6.485 -8.826 7.478 1.00 2.33 O ATOM 601 CB SER A 34 3.170 -8.693 7.924 1.00 60.34 C ATOM 602 OG SER A 34 3.768 -9.420 8.983 1.00 62.32 O ATOM 0 H SER A 34 3.632 -9.740 5.735 1.00 2.35 H new ATOM 0 HA SER A 34 3.927 -7.156 6.626 1.00 11.13 H new ATOM 0 HB2 SER A 34 2.584 -7.868 8.330 1.00 60.34 H new ATOM 0 HB3 SER A 34 2.479 -9.338 7.381 1.00 60.34 H new ATOM 0 HG SER A 34 3.071 -9.756 9.584 1.00 62.32 H new ATOM 608 N PRO A 35 5.689 -7.007 8.543 1.00 43.23 N ATOM 609 CA PRO A 35 6.913 -6.757 9.310 1.00 65.35 C ATOM 610 C PRO A 35 7.153 -7.816 10.380 1.00 33.32 C ATOM 611 O PRO A 35 8.276 -8.283 10.564 1.00 44.13 O ATOM 612 CB PRO A 35 6.656 -5.393 9.955 1.00 61.23 C ATOM 613 CG PRO A 35 5.172 -5.286 10.035 1.00 24.23 C ATOM 614 CD PRO A 35 4.639 -6.017 8.834 1.00 34.25 C ATOM 0 HA PRO A 35 7.802 -6.784 8.679 1.00 65.35 H new ATOM 0 HB2 PRO A 35 7.111 -5.330 10.943 1.00 61.23 H new ATOM 0 HB3 PRO A 35 7.080 -4.586 9.357 1.00 61.23 H new ATOM 0 HG2 PRO A 35 4.798 -5.728 10.959 1.00 24.23 H new ATOM 0 HG3 PRO A 35 4.855 -4.243 10.030 1.00 24.23 H new ATOM 0 HD2 PRO A 35 3.683 -6.496 9.047 1.00 34.25 H new ATOM 0 HD3 PRO A 35 4.478 -5.343 7.992 1.00 34.25 H new ATOM 622 N GLU A 36 6.089 -8.191 11.084 1.00 72.13 N ATOM 623 CA GLU A 36 6.185 -9.195 12.137 1.00 61.34 C ATOM 624 C GLU A 36 6.577 -10.553 11.560 1.00 41.44 C ATOM 625 O GLU A 36 7.327 -11.307 12.177 1.00 24.24 O ATOM 626 CB GLU A 36 4.855 -9.312 12.884 1.00 2.43 C ATOM 627 CG GLU A 36 4.679 -8.272 13.979 1.00 63.34 C ATOM 628 CD GLU A 36 3.459 -8.533 14.840 1.00 52.11 C ATOM 629 OE1 GLU A 36 2.518 -9.193 14.352 1.00 30.45 O ATOM 630 OE2 GLU A 36 3.445 -8.076 16.002 1.00 2.12 O ATOM 0 H GLU A 36 5.151 -7.815 10.944 1.00 72.13 H new ATOM 0 HA GLU A 36 6.960 -8.878 12.836 1.00 61.34 H new ATOM 0 HB2 GLU A 36 4.037 -9.218 12.170 1.00 2.43 H new ATOM 0 HB3 GLU A 36 4.781 -10.307 13.324 1.00 2.43 H new ATOM 0 HG2 GLU A 36 5.568 -8.259 14.609 1.00 63.34 H new ATOM 0 HG3 GLU A 36 4.595 -7.284 13.526 1.00 63.34 H new ATOM 637 N GLU A 37 6.063 -10.855 10.372 1.00 51.14 N ATOM 638 CA GLU A 37 6.358 -12.122 9.712 1.00 1.51 C ATOM 639 C GLU A 37 7.793 -12.143 9.193 1.00 30.32 C ATOM 640 O GLU A 37 8.483 -13.158 9.286 1.00 23.53 O ATOM 641 CB GLU A 37 5.383 -12.360 8.557 1.00 31.24 C ATOM 642 CG GLU A 37 4.382 -13.472 8.826 1.00 43.33 C ATOM 643 CD GLU A 37 3.182 -12.997 9.622 1.00 4.20 C ATOM 644 OE1 GLU A 37 3.326 -12.792 10.846 1.00 65.53 O ATOM 645 OE2 GLU A 37 2.100 -12.830 9.022 1.00 10.23 O ATOM 0 H GLU A 37 5.441 -10.240 9.847 1.00 51.14 H new ATOM 0 HA GLU A 37 6.243 -12.920 10.445 1.00 1.51 H new ATOM 0 HB2 GLU A 37 4.841 -11.436 8.353 1.00 31.24 H new ATOM 0 HB3 GLU A 37 5.950 -12.602 7.658 1.00 31.24 H new ATOM 0 HG2 GLU A 37 4.042 -13.887 7.877 1.00 43.33 H new ATOM 0 HG3 GLU A 37 4.877 -14.278 9.368 1.00 43.33 H new ATOM 652 N PHE A 38 8.235 -11.016 8.646 1.00 41.12 N ATOM 653 CA PHE A 38 9.587 -10.905 8.110 1.00 11.12 C ATOM 654 C PHE A 38 10.626 -11.143 9.202 1.00 12.12 C ATOM 655 O PHE A 38 11.594 -11.876 9.002 1.00 11.21 O ATOM 656 CB PHE A 38 9.798 -9.526 7.482 1.00 54.21 C ATOM 657 CG PHE A 38 10.582 -9.564 6.202 1.00 51.15 C ATOM 658 CD1 PHE A 38 10.050 -10.151 5.065 1.00 54.21 C ATOM 659 CD2 PHE A 38 11.852 -9.013 6.135 1.00 74.33 C ATOM 660 CE1 PHE A 38 10.768 -10.187 3.885 1.00 65.32 C ATOM 661 CE2 PHE A 38 12.575 -9.046 4.958 1.00 71.45 C ATOM 662 CZ PHE A 38 12.033 -9.635 3.832 1.00 62.25 C ATOM 0 H PHE A 38 7.677 -10.166 8.562 1.00 41.12 H new ATOM 0 HA PHE A 38 9.710 -11.669 7.342 1.00 11.12 H new ATOM 0 HB2 PHE A 38 8.827 -9.070 7.290 1.00 54.21 H new ATOM 0 HB3 PHE A 38 10.315 -8.885 8.197 1.00 54.21 H new ATOM 0 HD1 PHE A 38 9.062 -10.586 5.102 1.00 54.21 H new ATOM 0 HD2 PHE A 38 12.281 -8.553 7.013 1.00 74.33 H new ATOM 0 HE1 PHE A 38 10.341 -10.646 3.006 1.00 65.32 H new ATOM 0 HE2 PHE A 38 13.563 -8.612 4.918 1.00 71.45 H new ATOM 0 HZ PHE A 38 12.598 -9.664 2.912 1.00 62.25 H new ATOM 672 N GLN A 39 10.416 -10.518 10.356 1.00 5.52 N ATOM 673 CA GLN A 39 11.335 -10.660 11.479 1.00 23.14 C ATOM 674 C GLN A 39 11.136 -12.001 12.179 1.00 43.24 C ATOM 675 O GLN A 39 12.037 -12.499 12.852 1.00 23.23 O ATOM 676 CB GLN A 39 11.137 -9.517 12.476 1.00 34.13 C ATOM 677 CG GLN A 39 9.759 -9.502 13.118 1.00 54.01 C ATOM 678 CD GLN A 39 9.654 -10.447 14.298 1.00 21.43 C ATOM 679 OE1 GLN A 39 10.662 -10.834 14.890 1.00 3.54 O ATOM 680 NE2 GLN A 39 8.430 -10.826 14.647 1.00 1.14 N ATOM 0 H GLN A 39 9.618 -9.909 10.538 1.00 5.52 H new ATOM 0 HA GLN A 39 12.352 -10.621 11.090 1.00 23.14 H new ATOM 0 HB2 GLN A 39 11.892 -9.593 13.258 1.00 34.13 H new ATOM 0 HB3 GLN A 39 11.301 -8.568 11.966 1.00 34.13 H new ATOM 0 HG2 GLN A 39 9.527 -8.489 13.447 1.00 54.01 H new ATOM 0 HG3 GLN A 39 9.012 -9.774 12.372 1.00 54.01 H new ATOM 0 HE21 GLN A 39 7.622 -10.481 14.129 1.00 1.14 H new ATOM 0 HE22 GLN A 39 8.298 -11.462 15.433 1.00 1.14 H new ATOM 689 N GLU A 40 9.950 -12.579 12.014 1.00 45.45 N ATOM 690 CA GLU A 40 9.634 -13.861 12.631 1.00 60.34 C ATOM 691 C GLU A 40 10.150 -15.017 11.778 1.00 23.25 C ATOM 692 O GLU A 40 10.521 -16.069 12.299 1.00 65.42 O ATOM 693 CB GLU A 40 8.123 -13.997 12.832 1.00 42.32 C ATOM 694 CG GLU A 40 7.658 -15.433 13.002 1.00 62.21 C ATOM 695 CD GLU A 40 6.551 -15.570 14.029 1.00 60.31 C ATOM 696 OE1 GLU A 40 5.372 -15.389 13.657 1.00 24.33 O ATOM 697 OE2 GLU A 40 6.863 -15.858 15.203 1.00 14.03 O ATOM 0 H GLU A 40 9.193 -12.180 11.459 1.00 45.45 H new ATOM 0 HA GLU A 40 10.128 -13.899 13.602 1.00 60.34 H new ATOM 0 HB2 GLU A 40 7.829 -13.422 13.710 1.00 42.32 H new ATOM 0 HB3 GLU A 40 7.610 -13.557 11.977 1.00 42.32 H new ATOM 0 HG2 GLU A 40 7.307 -15.813 12.043 1.00 62.21 H new ATOM 0 HG3 GLU A 40 8.504 -16.052 13.300 1.00 62.21 H new ATOM 704 N VAL A 41 10.170 -14.814 10.465 1.00 3.50 N ATOM 705 CA VAL A 41 10.641 -15.837 9.540 1.00 60.23 C ATOM 706 C VAL A 41 12.148 -15.738 9.331 1.00 51.15 C ATOM 707 O VAL A 41 12.795 -16.705 8.928 1.00 32.12 O ATOM 708 CB VAL A 41 9.936 -15.727 8.175 1.00 71.12 C ATOM 709 CG1 VAL A 41 8.432 -15.884 8.337 1.00 54.25 C ATOM 710 CG2 VAL A 41 10.274 -14.403 7.507 1.00 55.15 C ATOM 0 H VAL A 41 9.865 -13.949 10.018 1.00 3.50 H new ATOM 0 HA VAL A 41 10.402 -16.802 9.987 1.00 60.23 H new ATOM 0 HB VAL A 41 10.294 -16.533 7.534 1.00 71.12 H new ATOM 0 HG11 VAL A 41 7.951 -15.803 7.362 1.00 54.25 H new ATOM 0 HG12 VAL A 41 8.213 -16.860 8.770 1.00 54.25 H new ATOM 0 HG13 VAL A 41 8.053 -15.101 8.994 1.00 54.25 H new ATOM 0 HG21 VAL A 41 9.768 -14.342 6.544 1.00 55.15 H new ATOM 0 HG22 VAL A 41 9.946 -13.581 8.142 1.00 55.15 H new ATOM 0 HG23 VAL A 41 11.351 -14.337 7.355 1.00 55.15 H new ATOM 720 N PHE A 42 12.702 -14.562 9.607 1.00 52.12 N ATOM 721 CA PHE A 42 14.134 -14.335 9.449 1.00 74.24 C ATOM 722 C PHE A 42 14.882 -14.665 10.737 1.00 61.03 C ATOM 723 O PHE A 42 15.909 -15.342 10.715 1.00 70.20 O ATOM 724 CB PHE A 42 14.400 -12.883 9.048 1.00 3.20 C ATOM 725 CG PHE A 42 14.248 -12.629 7.575 1.00 20.54 C ATOM 726 CD1 PHE A 42 13.304 -13.321 6.834 1.00 32.40 C ATOM 727 CD2 PHE A 42 15.049 -11.699 6.933 1.00 74.14 C ATOM 728 CE1 PHE A 42 13.162 -13.091 5.479 1.00 43.43 C ATOM 729 CE2 PHE A 42 14.911 -11.464 5.577 1.00 4.25 C ATOM 730 CZ PHE A 42 13.966 -12.160 4.850 1.00 42.11 C ATOM 0 H PHE A 42 12.181 -13.751 9.941 1.00 52.12 H new ATOM 0 HA PHE A 42 14.497 -14.994 8.660 1.00 74.24 H new ATOM 0 HB2 PHE A 42 13.715 -12.233 9.593 1.00 3.20 H new ATOM 0 HB3 PHE A 42 15.410 -12.610 9.353 1.00 3.20 H new ATOM 0 HD1 PHE A 42 12.672 -14.049 7.321 1.00 32.40 H new ATOM 0 HD2 PHE A 42 15.789 -11.151 7.497 1.00 74.14 H new ATOM 0 HE1 PHE A 42 12.423 -13.638 4.912 1.00 43.43 H new ATOM 0 HE2 PHE A 42 15.542 -10.737 5.087 1.00 4.25 H new ATOM 0 HZ PHE A 42 13.855 -11.977 3.791 1.00 42.11 H new ATOM 740 N GLY A 43 14.359 -14.180 11.859 1.00 42.11 N ATOM 741 CA GLY A 43 14.990 -14.432 13.141 1.00 24.41 C ATOM 742 C GLY A 43 15.355 -13.154 13.870 1.00 70.05 C ATOM 743 O GLY A 43 15.184 -13.054 15.084 1.00 5.12 O ATOM 0 H GLY A 43 13.510 -13.617 11.903 1.00 42.11 H new ATOM 0 HA2 GLY A 43 14.317 -15.022 13.764 1.00 24.41 H new ATOM 0 HA3 GLY A 43 15.889 -15.029 12.989 1.00 24.41 H new ATOM 747 N MET A 44 15.860 -12.175 13.126 1.00 12.34 N ATOM 748 CA MET A 44 16.250 -10.896 13.710 1.00 60.51 C ATOM 749 C MET A 44 15.035 -9.996 13.910 1.00 72.44 C ATOM 750 O MET A 44 13.895 -10.433 13.751 1.00 13.21 O ATOM 751 CB MET A 44 17.277 -10.196 12.818 1.00 73.34 C ATOM 752 CG MET A 44 16.878 -10.153 11.351 1.00 24.42 C ATOM 753 SD MET A 44 17.704 -11.421 10.370 1.00 35.40 S ATOM 754 CE MET A 44 18.557 -10.412 9.162 1.00 63.05 C ATOM 0 H MET A 44 16.009 -12.242 12.119 1.00 12.34 H new ATOM 0 HA MET A 44 16.699 -11.092 14.684 1.00 60.51 H new ATOM 0 HB2 MET A 44 17.423 -9.177 13.176 1.00 73.34 H new ATOM 0 HB3 MET A 44 18.235 -10.707 12.911 1.00 73.34 H new ATOM 0 HG2 MET A 44 15.799 -10.280 11.268 1.00 24.42 H new ATOM 0 HG3 MET A 44 17.115 -9.171 10.942 1.00 24.42 H new ATOM 0 HE1 MET A 44 19.537 -10.842 8.955 1.00 63.05 H new ATOM 0 HE2 MET A 44 17.975 -10.376 8.241 1.00 63.05 H new ATOM 0 HE3 MET A 44 18.680 -9.402 9.553 1.00 63.05 H new ATOM 764 N SER A 45 15.286 -8.739 14.259 1.00 43.23 N ATOM 765 CA SER A 45 14.212 -7.779 14.484 1.00 1.40 C ATOM 766 C SER A 45 13.913 -6.990 13.213 1.00 43.51 C ATOM 767 O SER A 45 14.801 -6.753 12.393 1.00 22.02 O ATOM 768 CB SER A 45 14.585 -6.820 15.617 1.00 63.52 C ATOM 769 OG SER A 45 14.852 -5.521 15.119 1.00 52.14 O ATOM 0 H SER A 45 16.224 -8.361 14.392 1.00 43.23 H new ATOM 0 HA SER A 45 13.317 -8.333 14.766 1.00 1.40 H new ATOM 0 HB2 SER A 45 13.772 -6.775 16.342 1.00 63.52 H new ATOM 0 HB3 SER A 45 15.461 -7.198 16.144 1.00 63.52 H new ATOM 0 HG SER A 45 15.086 -4.927 15.863 1.00 52.14 H new ATOM 775 N ILE A 46 12.657 -6.585 13.057 1.00 63.33 N ATOM 776 CA ILE A 46 12.241 -5.822 11.887 1.00 72.12 C ATOM 777 C ILE A 46 13.102 -4.576 11.708 1.00 34.13 C ATOM 778 O ILE A 46 13.330 -4.124 10.587 1.00 1.41 O ATOM 779 CB ILE A 46 10.763 -5.401 11.986 1.00 33.30 C ATOM 780 CG1 ILE A 46 10.197 -5.113 10.594 1.00 61.42 C ATOM 781 CG2 ILE A 46 10.618 -4.182 12.885 1.00 62.42 C ATOM 782 CD1 ILE A 46 10.359 -3.673 10.162 1.00 52.30 C ATOM 0 H ILE A 46 11.910 -6.773 13.726 1.00 63.33 H new ATOM 0 HA ILE A 46 12.367 -6.475 11.023 1.00 72.12 H new ATOM 0 HB ILE A 46 10.196 -6.222 12.425 1.00 33.30 H new ATOM 0 HG12 ILE A 46 10.692 -5.759 9.869 1.00 61.42 H new ATOM 0 HG13 ILE A 46 9.138 -5.371 10.581 1.00 61.42 H new ATOM 0 HG21 ILE A 46 9.568 -3.897 12.945 1.00 62.42 H new ATOM 0 HG22 ILE A 46 10.987 -4.420 13.883 1.00 62.42 H new ATOM 0 HG23 ILE A 46 11.196 -3.355 12.472 1.00 62.42 H new ATOM 0 HD11 ILE A 46 9.935 -3.542 9.166 1.00 52.30 H new ATOM 0 HD12 ILE A 46 9.841 -3.022 10.865 1.00 52.30 H new ATOM 0 HD13 ILE A 46 11.418 -3.416 10.142 1.00 52.30 H new ATOM 794 N GLU A 47 13.578 -4.028 12.822 1.00 55.31 N ATOM 795 CA GLU A 47 14.414 -2.834 12.788 1.00 64.15 C ATOM 796 C GLU A 47 15.728 -3.112 12.062 1.00 2.55 C ATOM 797 O GLU A 47 16.231 -2.266 11.324 1.00 44.31 O ATOM 798 CB GLU A 47 14.697 -2.342 14.208 1.00 5.43 C ATOM 799 CG GLU A 47 13.469 -2.323 15.102 1.00 30.42 C ATOM 800 CD GLU A 47 13.626 -1.396 16.291 1.00 4.52 C ATOM 801 OE1 GLU A 47 14.661 -1.488 16.984 1.00 61.02 O ATOM 802 OE2 GLU A 47 12.714 -0.576 16.529 1.00 71.45 O ATOM 0 H GLU A 47 13.399 -4.392 13.758 1.00 55.31 H new ATOM 0 HA GLU A 47 13.875 -2.058 12.244 1.00 64.15 H new ATOM 0 HB2 GLU A 47 15.455 -2.981 14.660 1.00 5.43 H new ATOM 0 HB3 GLU A 47 15.115 -1.337 14.158 1.00 5.43 H new ATOM 0 HG2 GLU A 47 12.603 -2.013 14.517 1.00 30.42 H new ATOM 0 HG3 GLU A 47 13.268 -3.333 15.458 1.00 30.42 H new ATOM 809 N GLU A 48 16.278 -4.302 12.280 1.00 34.32 N ATOM 810 CA GLU A 48 17.533 -4.690 11.649 1.00 63.52 C ATOM 811 C GLU A 48 17.432 -4.592 10.129 1.00 14.54 C ATOM 812 O GLU A 48 18.349 -4.109 9.465 1.00 71.23 O ATOM 813 CB GLU A 48 17.914 -6.116 12.054 1.00 62.14 C ATOM 814 CG GLU A 48 19.400 -6.407 11.931 1.00 64.34 C ATOM 815 CD GLU A 48 19.805 -7.686 12.637 1.00 33.44 C ATOM 816 OE1 GLU A 48 19.999 -7.648 13.870 1.00 12.12 O ATOM 817 OE2 GLU A 48 19.927 -8.726 11.957 1.00 73.54 O ATOM 0 H GLU A 48 15.874 -5.014 12.889 1.00 34.32 H new ATOM 0 HA GLU A 48 18.308 -4.003 11.990 1.00 63.52 H new ATOM 0 HB2 GLU A 48 17.603 -6.287 13.084 1.00 62.14 H new ATOM 0 HB3 GLU A 48 17.362 -6.821 11.433 1.00 62.14 H new ATOM 0 HG2 GLU A 48 19.666 -6.479 10.876 1.00 64.34 H new ATOM 0 HG3 GLU A 48 19.965 -5.573 12.346 1.00 64.34 H new ATOM 824 N PHE A 49 16.310 -5.052 9.586 1.00 32.41 N ATOM 825 CA PHE A 49 16.088 -5.018 8.145 1.00 13.23 C ATOM 826 C PHE A 49 16.192 -3.592 7.613 1.00 1.50 C ATOM 827 O PHE A 49 16.974 -3.313 6.704 1.00 51.51 O ATOM 828 CB PHE A 49 14.715 -5.602 7.805 1.00 11.24 C ATOM 829 CG PHE A 49 14.478 -6.961 8.398 1.00 24.43 C ATOM 830 CD1 PHE A 49 15.486 -7.913 8.407 1.00 13.43 C ATOM 831 CD2 PHE A 49 13.248 -7.288 8.946 1.00 24.41 C ATOM 832 CE1 PHE A 49 15.272 -9.165 8.953 1.00 54.45 C ATOM 833 CE2 PHE A 49 13.029 -8.538 9.493 1.00 75.40 C ATOM 834 CZ PHE A 49 14.041 -9.478 9.495 1.00 32.11 C ATOM 0 H PHE A 49 15.540 -5.453 10.122 1.00 32.41 H new ATOM 0 HA PHE A 49 16.860 -5.622 7.669 1.00 13.23 H new ATOM 0 HB2 PHE A 49 13.941 -4.920 8.159 1.00 11.24 H new ATOM 0 HB3 PHE A 49 14.614 -5.665 6.722 1.00 11.24 H new ATOM 0 HD1 PHE A 49 16.450 -7.674 7.982 1.00 13.43 H new ATOM 0 HD2 PHE A 49 12.452 -6.558 8.946 1.00 24.41 H new ATOM 0 HE1 PHE A 49 16.066 -9.897 8.956 1.00 54.45 H new ATOM 0 HE2 PHE A 49 12.066 -8.780 9.919 1.00 75.40 H new ATOM 0 HZ PHE A 49 13.870 -10.456 9.920 1.00 32.11 H new ATOM 844 N ASP A 50 15.398 -2.693 8.186 1.00 63.44 N ATOM 845 CA ASP A 50 15.401 -1.296 7.770 1.00 13.51 C ATOM 846 C ASP A 50 16.803 -0.702 7.868 1.00 73.03 C ATOM 847 O ASP A 50 17.203 0.110 7.034 1.00 50.14 O ATOM 848 CB ASP A 50 14.429 -0.484 8.629 1.00 61.42 C ATOM 849 CG ASP A 50 13.972 0.787 7.941 1.00 13.14 C ATOM 850 OD1 ASP A 50 13.517 0.704 6.781 1.00 11.00 O ATOM 851 OD2 ASP A 50 14.068 1.865 8.564 1.00 54.10 O ATOM 0 H ASP A 50 14.745 -2.907 8.939 1.00 63.44 H new ATOM 0 HA ASP A 50 15.079 -1.252 6.729 1.00 13.51 H new ATOM 0 HB2 ASP A 50 13.560 -1.097 8.868 1.00 61.42 H new ATOM 0 HB3 ASP A 50 14.909 -0.230 9.574 1.00 61.42 H new ATOM 856 N ARG A 51 17.543 -1.112 8.892 1.00 23.21 N ATOM 857 CA ARG A 51 18.900 -0.619 9.100 1.00 34.40 C ATOM 858 C ARG A 51 19.870 -1.265 8.114 1.00 14.55 C ATOM 859 O ARG A 51 20.913 -0.696 7.792 1.00 45.23 O ATOM 860 CB ARG A 51 19.352 -0.899 10.534 1.00 2.44 C ATOM 861 CG ARG A 51 19.071 0.245 11.495 1.00 3.03 C ATOM 862 CD ARG A 51 17.789 0.012 12.278 1.00 14.52 C ATOM 863 NE ARG A 51 17.682 0.903 13.431 1.00 30.30 N ATOM 864 CZ ARG A 51 17.391 2.195 13.337 1.00 52.41 C ATOM 865 NH1 ARG A 51 17.178 2.746 12.150 1.00 70.45 N ATOM 866 NH2 ARG A 51 17.312 2.940 14.432 1.00 14.31 N ATOM 0 H ARG A 51 17.227 -1.784 9.591 1.00 23.21 H new ATOM 0 HA ARG A 51 18.899 0.458 8.930 1.00 34.40 H new ATOM 0 HB2 ARG A 51 18.851 -1.797 10.895 1.00 2.44 H new ATOM 0 HB3 ARG A 51 20.422 -1.109 10.535 1.00 2.44 H new ATOM 0 HG2 ARG A 51 19.906 0.354 12.187 1.00 3.03 H new ATOM 0 HG3 ARG A 51 18.994 1.179 10.938 1.00 3.03 H new ATOM 0 HD2 ARG A 51 16.931 0.163 11.622 1.00 14.52 H new ATOM 0 HD3 ARG A 51 17.754 -1.024 12.616 1.00 14.52 H new ATOM 0 HE ARG A 51 17.840 0.511 14.359 1.00 30.30 H new ATOM 0 HH11 ARG A 51 17.237 2.177 11.306 1.00 70.45 H new ATOM 0 HH12 ARG A 51 16.955 3.739 12.081 1.00 70.45 H new ATOM 0 HH21 ARG A 51 17.475 2.520 15.347 1.00 14.31 H new ATOM 0 HH22 ARG A 51 17.088 3.932 14.359 1.00 14.31 H new ATOM 880 N LEU A 52 19.518 -2.455 7.640 1.00 4.42 N ATOM 881 CA LEU A 52 20.358 -3.178 6.691 1.00 32.24 C ATOM 882 C LEU A 52 20.172 -2.637 5.277 1.00 21.33 C ATOM 883 O LEU A 52 19.310 -1.794 5.033 1.00 2.41 O ATOM 884 CB LEU A 52 20.029 -4.672 6.726 1.00 44.24 C ATOM 885 CG LEU A 52 20.606 -5.459 7.903 1.00 15.12 C ATOM 886 CD1 LEU A 52 19.961 -6.834 7.993 1.00 43.43 C ATOM 887 CD2 LEU A 52 22.117 -5.583 7.773 1.00 34.42 C ATOM 0 H LEU A 52 18.658 -2.939 7.897 1.00 4.42 H new ATOM 0 HA LEU A 52 21.399 -3.034 6.980 1.00 32.24 H new ATOM 0 HB2 LEU A 52 18.945 -4.785 6.736 1.00 44.24 H new ATOM 0 HB3 LEU A 52 20.388 -5.124 5.802 1.00 44.24 H new ATOM 0 HG LEU A 52 20.385 -4.916 8.822 1.00 15.12 H new ATOM 0 HD11 LEU A 52 20.384 -7.380 8.836 1.00 43.43 H new ATOM 0 HD12 LEU A 52 18.886 -6.723 8.135 1.00 43.43 H new ATOM 0 HD13 LEU A 52 20.150 -7.386 7.072 1.00 43.43 H new ATOM 0 HD21 LEU A 52 22.510 -6.146 8.620 1.00 34.42 H new ATOM 0 HD22 LEU A 52 22.361 -6.103 6.847 1.00 34.42 H new ATOM 0 HD23 LEU A 52 22.564 -4.589 7.760 1.00 34.42 H new ATOM 899 N ALA A 53 20.985 -3.131 4.349 1.00 3.41 N ATOM 900 CA ALA A 53 20.908 -2.700 2.959 1.00 72.23 C ATOM 901 C ALA A 53 20.078 -3.674 2.128 1.00 3.51 C ATOM 902 O ALA A 53 19.687 -4.739 2.608 1.00 44.42 O ATOM 903 CB ALA A 53 22.304 -2.559 2.371 1.00 2.03 C ATOM 0 H ALA A 53 21.704 -3.830 4.535 1.00 3.41 H new ATOM 0 HA ALA A 53 20.415 -1.728 2.933 1.00 72.23 H new ATOM 0 HB1 ALA A 53 22.230 -2.237 1.332 1.00 2.03 H new ATOM 0 HB2 ALA A 53 22.866 -1.820 2.942 1.00 2.03 H new ATOM 0 HB3 ALA A 53 22.817 -3.520 2.417 1.00 2.03 H new ATOM 909 N LEU A 54 19.812 -3.302 0.881 1.00 42.22 N ATOM 910 CA LEU A 54 19.028 -4.142 -0.017 1.00 72.32 C ATOM 911 C LEU A 54 19.695 -5.500 -0.213 1.00 74.14 C ATOM 912 O LEU A 54 19.086 -6.542 0.028 1.00 34.24 O ATOM 913 CB LEU A 54 18.848 -3.449 -1.369 1.00 62.52 C ATOM 914 CG LEU A 54 17.518 -3.701 -2.081 1.00 4.23 C ATOM 915 CD1 LEU A 54 17.698 -3.627 -3.589 1.00 53.31 C ATOM 916 CD2 LEU A 54 16.944 -5.050 -1.676 1.00 35.42 C ATOM 0 H LEU A 54 20.128 -2.424 0.469 1.00 42.22 H new ATOM 0 HA LEU A 54 18.049 -4.301 0.436 1.00 72.32 H new ATOM 0 HB2 LEU A 54 18.961 -2.375 -1.222 1.00 62.52 H new ATOM 0 HB3 LEU A 54 19.656 -3.767 -2.028 1.00 62.52 H new ATOM 0 HG LEU A 54 16.814 -2.925 -1.781 1.00 4.23 H new ATOM 0 HD11 LEU A 54 16.741 -3.809 -4.079 1.00 53.31 H new ATOM 0 HD12 LEU A 54 18.064 -2.638 -3.864 1.00 53.31 H new ATOM 0 HD13 LEU A 54 18.418 -4.381 -3.907 1.00 53.31 H new ATOM 0 HD21 LEU A 54 15.998 -5.213 -2.192 1.00 35.42 H new ATOM 0 HD22 LEU A 54 17.645 -5.840 -1.946 1.00 35.42 H new ATOM 0 HD23 LEU A 54 16.777 -5.066 -0.599 1.00 35.42 H new ATOM 928 N TRP A 55 20.948 -5.480 -0.651 1.00 4.44 N ATOM 929 CA TRP A 55 21.699 -6.710 -0.877 1.00 11.31 C ATOM 930 C TRP A 55 21.490 -7.693 0.269 1.00 21.41 C ATOM 931 O TRP A 55 21.350 -8.897 0.050 1.00 5.12 O ATOM 932 CB TRP A 55 23.189 -6.401 -1.035 1.00 55.33 C ATOM 933 CG TRP A 55 23.847 -5.978 0.243 1.00 14.22 C ATOM 934 CD1 TRP A 55 23.982 -4.702 0.712 1.00 24.42 C ATOM 935 CD2 TRP A 55 24.460 -6.832 1.215 1.00 70.23 C ATOM 936 NE1 TRP A 55 24.643 -4.712 1.917 1.00 63.51 N ATOM 937 CE2 TRP A 55 24.946 -6.007 2.247 1.00 3.24 C ATOM 938 CE3 TRP A 55 24.644 -8.214 1.314 1.00 51.22 C ATOM 939 CZ2 TRP A 55 25.604 -6.519 3.362 1.00 25.41 C ATOM 940 CZ3 TRP A 55 25.298 -8.721 2.421 1.00 73.04 C ATOM 941 CH2 TRP A 55 25.771 -7.876 3.433 1.00 12.21 C ATOM 0 H TRP A 55 21.466 -4.626 -0.857 1.00 4.44 H new ATOM 0 HA TRP A 55 21.331 -7.167 -1.795 1.00 11.31 H new ATOM 0 HB2 TRP A 55 23.697 -7.285 -1.422 1.00 55.33 H new ATOM 0 HB3 TRP A 55 23.312 -5.612 -1.777 1.00 55.33 H new ATOM 0 HD1 TRP A 55 23.622 -3.816 0.210 1.00 24.42 H new ATOM 0 HE1 TRP A 55 24.871 -3.889 2.475 1.00 63.51 H new ATOM 0 HE3 TRP A 55 24.282 -8.874 0.539 1.00 51.22 H new ATOM 0 HZ2 TRP A 55 25.970 -5.869 4.143 1.00 25.41 H new ATOM 0 HZ3 TRP A 55 25.447 -9.787 2.507 1.00 73.04 H new ATOM 0 HH2 TRP A 55 26.277 -8.303 4.286 1.00 12.21 H new ATOM 952 N LYS A 56 21.470 -7.175 1.492 1.00 15.52 N ATOM 953 CA LYS A 56 21.276 -8.007 2.674 1.00 42.33 C ATOM 954 C LYS A 56 19.847 -8.537 2.738 1.00 2.51 C ATOM 955 O LYS A 56 19.627 -9.731 2.938 1.00 74.10 O ATOM 956 CB LYS A 56 21.594 -7.210 3.941 1.00 33.33 C ATOM 957 CG LYS A 56 21.730 -8.073 5.184 1.00 70.33 C ATOM 958 CD LYS A 56 23.116 -8.687 5.287 1.00 21.11 C ATOM 959 CE LYS A 56 23.325 -9.370 6.630 1.00 12.32 C ATOM 960 NZ LYS A 56 24.741 -9.283 7.083 1.00 51.25 N ATOM 0 H LYS A 56 21.586 -6.181 1.691 1.00 15.52 H new ATOM 0 HA LYS A 56 21.956 -8.856 2.606 1.00 42.33 H new ATOM 0 HB2 LYS A 56 22.521 -6.657 3.789 1.00 33.33 H new ATOM 0 HB3 LYS A 56 20.807 -6.474 4.104 1.00 33.33 H new ATOM 0 HG2 LYS A 56 21.531 -7.470 6.070 1.00 70.33 H new ATOM 0 HG3 LYS A 56 20.981 -8.865 5.162 1.00 70.33 H new ATOM 0 HD2 LYS A 56 23.255 -9.411 4.484 1.00 21.11 H new ATOM 0 HD3 LYS A 56 23.870 -7.911 5.151 1.00 21.11 H new ATOM 0 HE2 LYS A 56 22.676 -8.910 7.376 1.00 12.32 H new ATOM 0 HE3 LYS A 56 23.032 -10.417 6.554 1.00 12.32 H new ATOM 0 HZ1 LYS A 56 24.842 -9.760 8.002 1.00 51.25 H new ATOM 0 HZ2 LYS A 56 25.358 -9.744 6.384 1.00 51.25 H new ATOM 0 HZ3 LYS A 56 25.014 -8.284 7.180 1.00 51.25 H new ATOM 974 N ARG A 57 18.881 -7.641 2.566 1.00 14.22 N ATOM 975 CA ARG A 57 17.473 -8.019 2.605 1.00 40.13 C ATOM 976 C ARG A 57 17.176 -9.113 1.583 1.00 11.13 C ATOM 977 O ARG A 57 16.391 -10.023 1.845 1.00 21.31 O ATOM 978 CB ARG A 57 16.588 -6.801 2.335 1.00 42.50 C ATOM 979 CG ARG A 57 16.993 -5.567 3.125 1.00 44.33 C ATOM 980 CD ARG A 57 15.835 -5.029 3.951 1.00 44.12 C ATOM 981 NE ARG A 57 14.724 -4.588 3.113 1.00 75.02 N ATOM 982 CZ ARG A 57 14.685 -3.408 2.503 1.00 24.43 C ATOM 983 NH1 ARG A 57 15.692 -2.556 2.638 1.00 61.24 N ATOM 984 NH2 ARG A 57 13.639 -3.079 1.757 1.00 34.31 N ATOM 0 H ARG A 57 19.047 -6.649 2.398 1.00 14.22 H new ATOM 0 HA ARG A 57 17.254 -8.405 3.600 1.00 40.13 H new ATOM 0 HB2 ARG A 57 16.620 -6.568 1.271 1.00 42.50 H new ATOM 0 HB3 ARG A 57 15.555 -7.053 2.575 1.00 42.50 H new ATOM 0 HG2 ARG A 57 17.827 -5.812 3.782 1.00 44.33 H new ATOM 0 HG3 ARG A 57 17.343 -4.794 2.441 1.00 44.33 H new ATOM 0 HD2 ARG A 57 15.488 -5.803 4.636 1.00 44.12 H new ATOM 0 HD3 ARG A 57 16.182 -4.195 4.562 1.00 44.12 H new ATOM 0 HE ARG A 57 13.934 -5.221 2.989 1.00 75.02 H new ATOM 0 HH11 ARG A 57 16.498 -2.806 3.211 1.00 61.24 H new ATOM 0 HH12 ARG A 57 15.660 -1.651 2.169 1.00 61.24 H new ATOM 0 HH21 ARG A 57 12.863 -3.732 1.651 1.00 34.31 H new ATOM 0 HH22 ARG A 57 13.611 -2.173 1.290 1.00 34.31 H new ATOM 998 N ASN A 58 17.809 -9.015 0.419 1.00 74.55 N ATOM 999 CA ASN A 58 17.611 -9.996 -0.643 1.00 21.01 C ATOM 1000 C ASN A 58 18.175 -11.355 -0.239 1.00 74.25 C ATOM 1001 O ASN A 58 17.482 -12.371 -0.307 1.00 50.24 O ATOM 1002 CB ASN A 58 18.276 -9.519 -1.936 1.00 75.40 C ATOM 1003 CG ASN A 58 17.339 -8.694 -2.797 1.00 71.11 C ATOM 1004 OD1 ASN A 58 16.176 -9.051 -2.987 1.00 61.12 O ATOM 1005 ND2 ASN A 58 17.843 -7.584 -3.323 1.00 41.20 N ATOM 0 H ASN A 58 18.463 -8.267 0.187 1.00 74.55 H new ATOM 0 HA ASN A 58 16.539 -10.102 -0.811 1.00 21.01 H new ATOM 0 HB2 ASN A 58 19.157 -8.926 -1.691 1.00 75.40 H new ATOM 0 HB3 ASN A 58 18.621 -10.383 -2.504 1.00 75.40 H new ATOM 0 HD21 ASN A 58 17.260 -6.988 -3.911 1.00 41.20 H new ATOM 0 HD22 ASN A 58 18.813 -7.327 -3.139 1.00 41.20 H new ATOM 1012 N ASP A 59 19.435 -11.366 0.181 1.00 53.12 N ATOM 1013 CA ASP A 59 20.092 -12.600 0.597 1.00 15.41 C ATOM 1014 C ASP A 59 19.276 -13.314 1.670 1.00 1.24 C ATOM 1015 O ASP A 59 18.961 -14.498 1.541 1.00 4.31 O ATOM 1016 CB ASP A 59 21.498 -12.302 1.121 1.00 74.45 C ATOM 1017 CG ASP A 59 22.260 -13.562 1.481 1.00 74.53 C ATOM 1018 OD1 ASP A 59 22.608 -14.329 0.558 1.00 2.55 O ATOM 1019 OD2 ASP A 59 22.507 -13.783 2.685 1.00 34.11 O ATOM 0 H ASP A 59 20.022 -10.534 0.243 1.00 53.12 H new ATOM 0 HA ASP A 59 20.168 -13.254 -0.272 1.00 15.41 H new ATOM 0 HB2 ASP A 59 22.054 -11.748 0.365 1.00 74.45 H new ATOM 0 HB3 ASP A 59 21.427 -11.660 1.999 1.00 74.45 H new ATOM 1024 N LEU A 60 18.938 -12.588 2.730 1.00 12.40 N ATOM 1025 CA LEU A 60 18.159 -13.152 3.827 1.00 5.24 C ATOM 1026 C LEU A 60 16.831 -13.706 3.324 1.00 54.12 C ATOM 1027 O LEU A 60 16.364 -14.747 3.787 1.00 14.54 O ATOM 1028 CB LEU A 60 17.909 -12.090 4.900 1.00 51.04 C ATOM 1029 CG LEU A 60 19.153 -11.430 5.494 1.00 43.50 C ATOM 1030 CD1 LEU A 60 18.843 -10.008 5.937 1.00 22.23 C ATOM 1031 CD2 LEU A 60 19.687 -12.249 6.660 1.00 70.33 C ATOM 0 H LEU A 60 19.191 -11.608 2.853 1.00 12.40 H new ATOM 0 HA LEU A 60 18.731 -13.971 4.262 1.00 5.24 H new ATOM 0 HB2 LEU A 60 17.278 -11.311 4.472 1.00 51.04 H new ATOM 0 HB3 LEU A 60 17.343 -12.548 5.711 1.00 51.04 H new ATOM 0 HG LEU A 60 19.922 -11.389 4.723 1.00 43.50 H new ATOM 0 HD11 LEU A 60 19.740 -9.554 6.357 1.00 22.23 H new ATOM 0 HD12 LEU A 60 18.509 -9.424 5.079 1.00 22.23 H new ATOM 0 HD13 LEU A 60 18.057 -10.025 6.692 1.00 22.23 H new ATOM 0 HD21 LEU A 60 20.573 -11.764 7.070 1.00 70.33 H new ATOM 0 HD22 LEU A 60 18.922 -12.322 7.433 1.00 70.33 H new ATOM 0 HD23 LEU A 60 19.949 -13.248 6.313 1.00 70.33 H new ATOM 1043 N LYS A 61 16.226 -13.005 2.370 1.00 4.14 N ATOM 1044 CA LYS A 61 14.953 -13.427 1.800 1.00 33.20 C ATOM 1045 C LYS A 61 15.060 -14.828 1.207 1.00 63.34 C ATOM 1046 O LYS A 61 14.283 -15.720 1.548 1.00 53.22 O ATOM 1047 CB LYS A 61 14.500 -12.439 0.723 1.00 41.12 C ATOM 1048 CG LYS A 61 13.576 -11.352 1.244 1.00 2.12 C ATOM 1049 CD LYS A 61 12.788 -10.703 0.119 1.00 41.21 C ATOM 1050 CE LYS A 61 13.548 -9.536 -0.492 1.00 53.45 C ATOM 1051 NZ LYS A 61 12.667 -8.681 -1.336 1.00 34.12 N ATOM 0 H LYS A 61 16.598 -12.141 1.976 1.00 4.14 H new ATOM 0 HA LYS A 61 14.214 -13.446 2.601 1.00 33.20 H new ATOM 0 HB2 LYS A 61 15.379 -11.974 0.276 1.00 41.12 H new ATOM 0 HB3 LYS A 61 13.991 -12.987 -0.070 1.00 41.12 H new ATOM 0 HG2 LYS A 61 12.887 -11.778 1.973 1.00 2.12 H new ATOM 0 HG3 LYS A 61 14.162 -10.594 1.764 1.00 2.12 H new ATOM 0 HD2 LYS A 61 12.575 -11.444 -0.652 1.00 41.21 H new ATOM 0 HD3 LYS A 61 11.828 -10.354 0.500 1.00 41.21 H new ATOM 0 HE2 LYS A 61 13.987 -8.932 0.303 1.00 53.45 H new ATOM 0 HE3 LYS A 61 14.372 -9.916 -1.096 1.00 53.45 H new ATOM 0 HZ1 LYS A 61 13.231 -8.237 -2.088 1.00 34.12 H new ATOM 0 HZ2 LYS A 61 11.921 -9.266 -1.763 1.00 34.12 H new ATOM 0 HZ3 LYS A 61 12.233 -7.942 -0.747 1.00 34.12 H new ATOM 1065 N LYS A 62 16.030 -15.016 0.317 1.00 34.55 N ATOM 1066 CA LYS A 62 16.241 -16.310 -0.322 1.00 5.40 C ATOM 1067 C LYS A 62 16.432 -17.407 0.720 1.00 21.11 C ATOM 1068 O LYS A 62 15.904 -18.510 0.579 1.00 33.21 O ATOM 1069 CB LYS A 62 17.460 -16.251 -1.246 1.00 23.34 C ATOM 1070 CG LYS A 62 17.276 -15.328 -2.438 1.00 25.33 C ATOM 1071 CD LYS A 62 18.445 -14.369 -2.585 1.00 43.34 C ATOM 1072 CE LYS A 62 18.220 -13.388 -3.726 1.00 4.32 C ATOM 1073 NZ LYS A 62 19.468 -12.657 -4.083 1.00 13.32 N ATOM 0 H LYS A 62 16.682 -14.289 0.022 1.00 34.55 H new ATOM 0 HA LYS A 62 15.355 -16.545 -0.912 1.00 5.40 H new ATOM 0 HB2 LYS A 62 18.325 -15.920 -0.671 1.00 23.34 H new ATOM 0 HB3 LYS A 62 17.681 -17.256 -1.606 1.00 23.34 H new ATOM 0 HG2 LYS A 62 17.174 -15.921 -3.347 1.00 25.33 H new ATOM 0 HG3 LYS A 62 16.352 -14.762 -2.322 1.00 25.33 H new ATOM 0 HD2 LYS A 62 18.586 -13.820 -1.654 1.00 43.34 H new ATOM 0 HD3 LYS A 62 19.360 -14.934 -2.764 1.00 43.34 H new ATOM 0 HE2 LYS A 62 17.851 -13.925 -4.600 1.00 4.32 H new ATOM 0 HE3 LYS A 62 17.448 -12.672 -3.443 1.00 4.32 H new ATOM 0 HZ1 LYS A 62 19.273 -11.999 -4.864 1.00 13.32 H new ATOM 0 HZ2 LYS A 62 19.806 -12.124 -3.257 1.00 13.32 H new ATOM 0 HZ3 LYS A 62 20.197 -13.338 -4.378 1.00 13.32 H new ATOM 1087 N LYS A 63 17.189 -17.097 1.767 1.00 21.32 N ATOM 1088 CA LYS A 63 17.448 -18.056 2.835 1.00 13.33 C ATOM 1089 C LYS A 63 16.159 -18.414 3.569 1.00 40.15 C ATOM 1090 O LYS A 63 15.999 -19.535 4.049 1.00 34.32 O ATOM 1091 CB LYS A 63 18.468 -17.486 3.824 1.00 71.14 C ATOM 1092 CG LYS A 63 18.926 -18.488 4.870 1.00 50.53 C ATOM 1093 CD LYS A 63 20.187 -18.019 5.576 1.00 41.22 C ATOM 1094 CE LYS A 63 19.873 -17.001 6.662 1.00 75.33 C ATOM 1095 NZ LYS A 63 19.213 -17.632 7.839 1.00 64.13 N ATOM 0 H LYS A 63 17.634 -16.189 1.899 1.00 21.32 H new ATOM 0 HA LYS A 63 17.854 -18.962 2.385 1.00 13.33 H new ATOM 0 HB2 LYS A 63 19.336 -17.128 3.271 1.00 71.14 H new ATOM 0 HB3 LYS A 63 18.031 -16.623 4.326 1.00 71.14 H new ATOM 0 HG2 LYS A 63 18.133 -18.639 5.602 1.00 50.53 H new ATOM 0 HG3 LYS A 63 19.110 -19.452 4.396 1.00 50.53 H new ATOM 0 HD2 LYS A 63 20.699 -18.875 6.016 1.00 41.22 H new ATOM 0 HD3 LYS A 63 20.869 -17.578 4.849 1.00 41.22 H new ATOM 0 HE2 LYS A 63 20.794 -16.513 6.980 1.00 75.33 H new ATOM 0 HE3 LYS A 63 19.225 -16.224 6.255 1.00 75.33 H new ATOM 0 HZ1 LYS A 63 19.259 -16.984 8.651 1.00 64.13 H new ATOM 0 HZ2 LYS A 63 18.218 -17.833 7.613 1.00 64.13 H new ATOM 0 HZ3 LYS A 63 19.701 -18.520 8.076 1.00 64.13 H new ATOM 1109 N ALA A 64 15.243 -17.454 3.649 1.00 70.40 N ATOM 1110 CA ALA A 64 13.967 -17.670 4.320 1.00 23.43 C ATOM 1111 C ALA A 64 12.979 -18.385 3.405 1.00 40.55 C ATOM 1112 O ALA A 64 11.812 -18.566 3.755 1.00 40.15 O ATOM 1113 CB ALA A 64 13.389 -16.345 4.793 1.00 33.13 C ATOM 0 H ALA A 64 15.361 -16.520 3.258 1.00 70.40 H new ATOM 0 HA ALA A 64 14.144 -18.307 5.187 1.00 23.43 H new ATOM 0 HB1 ALA A 64 12.436 -16.521 5.292 1.00 33.13 H new ATOM 0 HB2 ALA A 64 14.082 -15.874 5.490 1.00 33.13 H new ATOM 0 HB3 ALA A 64 13.234 -15.689 3.936 1.00 33.13 H new ATOM 1119 N LEU A 65 13.452 -18.787 2.231 1.00 65.35 N ATOM 1120 CA LEU A 65 12.610 -19.482 1.263 1.00 13.32 C ATOM 1121 C LEU A 65 11.568 -18.537 0.672 1.00 71.41 C ATOM 1122 O LEU A 65 10.459 -18.953 0.332 1.00 21.14 O ATOM 1123 CB LEU A 65 11.917 -20.674 1.924 1.00 33.43 C ATOM 1124 CG LEU A 65 12.778 -21.511 2.871 1.00 1.11 C ATOM 1125 CD1 LEU A 65 11.905 -22.398 3.744 1.00 75.51 C ATOM 1126 CD2 LEU A 65 13.775 -22.349 2.085 1.00 45.05 C ATOM 0 H LEU A 65 14.415 -18.644 1.926 1.00 65.35 H new ATOM 0 HA LEU A 65 13.247 -19.842 0.455 1.00 13.32 H new ATOM 0 HB2 LEU A 65 11.055 -20.305 2.480 1.00 33.43 H new ATOM 0 HB3 LEU A 65 11.535 -21.327 1.140 1.00 33.43 H new ATOM 0 HG LEU A 65 13.334 -20.834 3.519 1.00 1.11 H new ATOM 0 HD11 LEU A 65 12.536 -22.986 4.411 1.00 75.51 H new ATOM 0 HD12 LEU A 65 11.232 -21.777 4.335 1.00 75.51 H new ATOM 0 HD13 LEU A 65 11.321 -23.068 3.113 1.00 75.51 H new ATOM 0 HD21 LEU A 65 14.379 -22.938 2.775 1.00 45.05 H new ATOM 0 HD22 LEU A 65 13.238 -23.017 1.412 1.00 45.05 H new ATOM 0 HD23 LEU A 65 14.423 -21.693 1.504 1.00 45.05 H new ATOM 1138 N LEU A 66 11.932 -17.266 0.549 1.00 14.34 N ATOM 1139 CA LEU A 66 11.029 -16.262 -0.004 1.00 2.34 C ATOM 1140 C LEU A 66 11.179 -16.170 -1.519 1.00 22.22 C ATOM 1141 O LEU A 66 10.229 -15.840 -2.228 1.00 73.55 O ATOM 1142 CB LEU A 66 11.303 -14.897 0.631 1.00 52.23 C ATOM 1143 CG LEU A 66 10.340 -14.466 1.737 1.00 12.14 C ATOM 1144 CD1 LEU A 66 10.973 -13.392 2.608 1.00 25.12 C ATOM 1145 CD2 LEU A 66 9.031 -13.968 1.142 1.00 70.24 C ATOM 0 H LEU A 66 12.846 -16.906 0.824 1.00 14.34 H new ATOM 0 HA LEU A 66 10.007 -16.564 0.223 1.00 2.34 H new ATOM 0 HB2 LEU A 66 12.314 -14.905 1.039 1.00 52.23 H new ATOM 0 HB3 LEU A 66 11.283 -14.142 -0.155 1.00 52.23 H new ATOM 0 HG LEU A 66 10.125 -15.333 2.362 1.00 12.14 H new ATOM 0 HD11 LEU A 66 10.273 -13.098 3.390 1.00 25.12 H new ATOM 0 HD12 LEU A 66 11.883 -13.783 3.064 1.00 25.12 H new ATOM 0 HD13 LEU A 66 11.218 -12.524 1.995 1.00 25.12 H new ATOM 0 HD21 LEU A 66 8.358 -13.666 1.945 1.00 70.24 H new ATOM 0 HD22 LEU A 66 9.228 -13.115 0.493 1.00 70.24 H new ATOM 0 HD23 LEU A 66 8.568 -14.766 0.562 1.00 70.24 H new ATOM 1157 N PHE A 67 12.379 -16.466 -2.008 1.00 74.34 N ATOM 1158 CA PHE A 67 12.653 -16.419 -3.440 1.00 0.22 C ATOM 1159 C PHE A 67 12.865 -17.822 -4.000 1.00 22.32 C ATOM 1160 O PHE A 67 13.303 -18.725 -3.288 1.00 32.22 O ATOM 1161 CB PHE A 67 13.886 -15.556 -3.716 1.00 11.41 C ATOM 1162 CG PHE A 67 13.652 -14.088 -3.497 1.00 35.33 C ATOM 1163 CD1 PHE A 67 12.373 -13.603 -3.272 1.00 61.43 C ATOM 1164 CD2 PHE A 67 14.710 -13.194 -3.515 1.00 14.04 C ATOM 1165 CE1 PHE A 67 12.155 -12.254 -3.071 1.00 53.42 C ATOM 1166 CE2 PHE A 67 14.497 -11.843 -3.314 1.00 4.04 C ATOM 1167 CZ PHE A 67 13.218 -11.372 -3.091 1.00 23.54 C ATOM 0 H PHE A 67 13.176 -16.741 -1.434 1.00 74.34 H new ATOM 0 HA PHE A 67 11.789 -15.976 -3.936 1.00 0.22 H new ATOM 0 HB2 PHE A 67 14.702 -15.886 -3.073 1.00 11.41 H new ATOM 0 HB3 PHE A 67 14.208 -15.715 -4.745 1.00 11.41 H new ATOM 0 HD1 PHE A 67 11.538 -14.288 -3.254 1.00 61.43 H new ATOM 0 HD2 PHE A 67 15.713 -13.557 -3.688 1.00 14.04 H new ATOM 0 HE1 PHE A 67 11.153 -11.889 -2.898 1.00 53.42 H new ATOM 0 HE2 PHE A 67 15.330 -11.156 -3.331 1.00 4.04 H new ATOM 0 HZ PHE A 67 13.049 -10.317 -2.933 1.00 23.54 H new TER 1177 PHE A 67