USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 483 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 NoAdj-H: A 1 LEU H2 : A 1 LEU N : A 64 TRP C :(NH2R) USER MOD NoAdj-H: A 1 LEU H3 : A 1 LEU N : A 64 TRP C :(NH2R) USER MOD Set 1.1: A 51 SER OG : rot 90:sc= 0.959 USER MOD Set 1.2: A 55 LYS NZ :NH3+ 168:sc= 1.22 (180deg=-0.0575) USER MOD Single : A 1 LEU N :NH3+ 153:sc= 1.18 (180deg=-0.326) USER MOD Single : A 2 THR OG1 : rot -75:sc= 0.143 USER MOD Single : A 4 ASN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0.345 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 21 THR OG1 : rot -81:sc= 0.503 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -170:sc= -0.895 USER MOD Single : A 33 THR OG1 : rot 77:sc= 1.27 USER MOD Single : A 42 THR OG1 : rot -92:sc= 0.0503 USER MOD Single : A 48 THR OG1 : rot 80:sc= 0.788 USER MOD Single : A 50 LYS NZ :NH3+ -103:sc= 1.25 (180deg=0.208) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 140:sc= -0.0597 (180deg=-0.378) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 5.998 -3.190 0.886 1.00 0.00 N ATOM 2 CA LEU A 1 4.718 -3.886 0.864 1.00 0.00 C ATOM 3 C LEU A 1 4.903 -5.343 0.523 1.00 0.00 C ATOM 4 O LEU A 1 4.530 -6.212 1.300 1.00 0.00 O ATOM 5 CB LEU A 1 3.767 -3.242 -0.142 1.00 0.00 C ATOM 6 CG LEU A 1 3.213 -1.862 0.202 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.481 -1.306 -0.990 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.266 -1.940 1.385 1.00 0.00 C ATOM 0 H1 LEU A 1 5.850 -2.184 0.665 1.00 0.00 H new ATOM 0 HA LEU A 1 4.284 -3.809 1.861 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.286 -3.168 -1.098 1.00 0.00 H new ATOM 0 HB3 LEU A 1 2.924 -3.917 -0.289 1.00 0.00 H new ATOM 0 HG LEU A 1 4.045 -1.209 0.467 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.085 -0.320 -0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.168 -1.223 -1.832 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.660 -1.972 -1.256 1.00 0.00 H new ATOM 0 HD21 LEU A 1 1.884 -0.945 1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.434 -2.601 1.142 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.799 -2.330 2.252 1.00 0.00 H new ATOM 20 N THR A 2 5.522 -5.605 -0.609 1.00 0.00 N ATOM 21 CA THR A 2 5.761 -6.960 -1.060 1.00 0.00 C ATOM 22 C THR A 2 6.536 -7.761 -0.021 1.00 0.00 C ATOM 23 O THR A 2 6.130 -8.875 0.317 1.00 0.00 O ATOM 24 CB THR A 2 6.486 -6.964 -2.436 1.00 0.00 C ATOM 25 OG1 THR A 2 5.601 -6.507 -3.470 1.00 0.00 O ATOM 26 CG2 THR A 2 7.064 -8.324 -2.792 1.00 0.00 C ATOM 0 H THR A 2 5.873 -4.886 -1.242 1.00 0.00 H new ATOM 0 HA THR A 2 4.794 -7.447 -1.190 1.00 0.00 H new ATOM 0 HB THR A 2 7.328 -6.276 -2.352 1.00 0.00 H new ATOM 0 HG1 THR A 2 4.959 -7.215 -3.687 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.558 -8.267 -3.762 1.00 0.00 H new ATOM 0 HG22 THR A 2 7.788 -8.622 -2.033 1.00 0.00 H new ATOM 0 HG23 THR A 2 6.261 -9.060 -2.836 1.00 0.00 H new ATOM 34 N ALA A 3 7.561 -7.146 0.530 1.00 0.00 N ATOM 35 CA ALA A 3 8.439 -7.784 1.498 1.00 0.00 C ATOM 36 C ALA A 3 7.711 -8.182 2.789 1.00 0.00 C ATOM 37 O ALA A 3 7.856 -9.304 3.277 1.00 0.00 O ATOM 38 CB ALA A 3 9.595 -6.856 1.826 1.00 0.00 C ATOM 0 H ALA A 3 7.814 -6.181 0.319 1.00 0.00 H new ATOM 0 HA ALA A 3 8.807 -8.703 1.043 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.252 -7.336 2.552 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.156 -6.638 0.917 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.208 -5.927 2.245 1.00 0.00 H new ATOM 44 N ASN A 4 6.916 -7.288 3.315 1.00 0.00 N ATOM 45 CA ASN A 4 6.279 -7.512 4.610 1.00 0.00 C ATOM 46 C ASN A 4 4.966 -8.238 4.497 1.00 0.00 C ATOM 47 O ASN A 4 4.617 -9.048 5.359 1.00 0.00 O ATOM 48 CB ASN A 4 6.103 -6.200 5.374 1.00 0.00 C ATOM 49 CG ASN A 4 7.423 -5.609 5.826 1.00 0.00 C ATOM 50 OD1 ASN A 4 7.904 -5.898 6.917 1.00 0.00 O ATOM 51 ND2 ASN A 4 8.021 -4.798 5.001 1.00 0.00 N ATOM 0 H ASN A 4 6.687 -6.396 2.877 1.00 0.00 H new ATOM 0 HA ASN A 4 6.952 -8.158 5.174 1.00 0.00 H new ATOM 0 HB2 ASN A 4 5.585 -5.481 4.740 1.00 0.00 H new ATOM 0 HB3 ASN A 4 5.469 -6.372 6.244 1.00 0.00 H new ATOM 0 HD21 ASN A 4 8.917 -4.382 5.254 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.593 -4.579 4.101 1.00 0.00 H new ATOM 58 N LEU A 5 4.236 -7.972 3.452 1.00 0.00 N ATOM 59 CA LEU A 5 2.945 -8.595 3.265 1.00 0.00 C ATOM 60 C LEU A 5 3.098 -9.939 2.594 1.00 0.00 C ATOM 61 O LEU A 5 2.243 -10.815 2.745 1.00 0.00 O ATOM 62 CB LEU A 5 2.058 -7.701 2.427 1.00 0.00 C ATOM 63 CG LEU A 5 1.845 -6.292 2.960 1.00 0.00 C ATOM 64 CD1 LEU A 5 1.183 -5.455 1.906 1.00 0.00 C ATOM 65 CD2 LEU A 5 1.011 -6.311 4.232 1.00 0.00 C ATOM 0 H LEU A 5 4.509 -7.327 2.711 1.00 0.00 H new ATOM 0 HA LEU A 5 2.486 -8.743 4.242 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.487 -7.630 1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.085 -8.181 2.323 1.00 0.00 H new ATOM 0 HG LEU A 5 2.814 -5.858 3.207 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.030 -4.445 2.286 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.817 -5.417 1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.220 -5.894 1.644 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.874 -5.291 4.592 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.038 -6.756 4.023 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.523 -6.899 4.994 1.00 0.00 H new ATOM 77 N GLY A 6 4.169 -10.097 1.829 1.00 0.00 N ATOM 78 CA GLY A 6 4.414 -11.358 1.165 1.00 0.00 C ATOM 79 C GLY A 6 3.542 -11.479 -0.040 1.00 0.00 C ATOM 80 O GLY A 6 2.998 -12.547 -0.337 1.00 0.00 O ATOM 0 H GLY A 6 4.870 -9.376 1.658 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.462 -11.427 0.874 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.218 -12.183 1.850 1.00 0.00 H new ATOM 84 N ILE A 7 3.411 -10.377 -0.733 1.00 0.00 N ATOM 85 CA ILE A 7 2.517 -10.288 -1.866 1.00 0.00 C ATOM 86 C ILE A 7 3.301 -10.147 -3.135 1.00 0.00 C ATOM 87 O ILE A 7 4.516 -10.017 -3.098 1.00 0.00 O ATOM 88 CB ILE A 7 1.529 -9.096 -1.749 1.00 0.00 C ATOM 89 CG1 ILE A 7 2.279 -7.761 -1.597 1.00 0.00 C ATOM 90 CG2 ILE A 7 0.568 -9.314 -0.599 1.00 0.00 C ATOM 91 CD1 ILE A 7 1.379 -6.545 -1.569 1.00 0.00 C ATOM 0 H ILE A 7 3.919 -9.516 -0.531 1.00 0.00 H new ATOM 0 HA ILE A 7 1.935 -11.210 -1.880 1.00 0.00 H new ATOM 0 HB ILE A 7 0.952 -9.044 -2.672 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.864 -7.788 -0.677 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.985 -7.658 -2.421 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.117 -8.469 -0.532 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.000 -10.229 -0.768 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.128 -9.402 0.332 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.985 -5.646 -1.460 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.813 -6.490 -2.499 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.689 -6.622 -0.728 1.00 0.00 H new ATOM 103 N SER A 8 2.618 -10.138 -4.236 1.00 0.00 N ATOM 104 CA SER A 8 3.247 -10.012 -5.512 1.00 0.00 C ATOM 105 C SER A 8 3.660 -8.556 -5.756 1.00 0.00 C ATOM 106 O SER A 8 3.259 -7.638 -5.001 1.00 0.00 O ATOM 107 CB SER A 8 2.271 -10.483 -6.582 1.00 0.00 C ATOM 108 OG SER A 8 1.057 -9.747 -6.504 1.00 0.00 O ATOM 0 H SER A 8 1.602 -10.218 -4.275 1.00 0.00 H new ATOM 0 HA SER A 8 4.148 -10.625 -5.547 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.716 -10.359 -7.569 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.068 -11.546 -6.455 1.00 0.00 H new ATOM 0 HG SER A 8 0.440 -10.059 -7.198 1.00 0.00 H new ATOM 114 N SER A 9 4.459 -8.339 -6.773 1.00 0.00 N ATOM 115 CA SER A 9 4.856 -7.009 -7.148 1.00 0.00 C ATOM 116 C SER A 9 3.639 -6.278 -7.730 1.00 0.00 C ATOM 117 O SER A 9 3.473 -5.062 -7.541 1.00 0.00 O ATOM 118 CB SER A 9 6.018 -7.064 -8.162 1.00 0.00 C ATOM 119 OG SER A 9 6.524 -5.767 -8.461 1.00 0.00 O ATOM 0 H SER A 9 4.849 -9.077 -7.359 1.00 0.00 H new ATOM 0 HA SER A 9 5.212 -6.463 -6.274 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.821 -7.683 -7.761 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.676 -7.541 -9.081 1.00 0.00 H new ATOM 0 HG SER A 9 7.259 -5.843 -9.105 1.00 0.00 H new ATOM 125 N TYR A 10 2.768 -7.053 -8.390 1.00 0.00 N ATOM 126 CA TYR A 10 1.543 -6.543 -8.989 1.00 0.00 C ATOM 127 C TYR A 10 0.653 -5.966 -7.908 1.00 0.00 C ATOM 128 O TYR A 10 0.237 -4.812 -7.993 1.00 0.00 O ATOM 129 CB TYR A 10 0.800 -7.678 -9.720 1.00 0.00 C ATOM 130 CG TYR A 10 -0.397 -7.241 -10.567 1.00 0.00 C ATOM 131 CD1 TYR A 10 -1.641 -6.944 -9.996 1.00 0.00 C ATOM 132 CD2 TYR A 10 -0.283 -7.158 -11.947 1.00 0.00 C ATOM 133 CE1 TYR A 10 -2.713 -6.580 -10.776 1.00 0.00 C ATOM 134 CE2 TYR A 10 -1.357 -6.786 -12.731 1.00 0.00 C ATOM 135 CZ TYR A 10 -2.568 -6.500 -12.139 1.00 0.00 C ATOM 136 OH TYR A 10 -3.646 -6.139 -12.920 1.00 0.00 O ATOM 0 H TYR A 10 2.901 -8.056 -8.520 1.00 0.00 H new ATOM 0 HA TYR A 10 1.795 -5.763 -9.708 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.509 -8.197 -10.365 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.455 -8.399 -8.979 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.760 -7.002 -8.924 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.662 -7.388 -12.416 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -3.666 -6.358 -10.318 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.248 -6.719 -13.803 1.00 0.00 H new ATOM 0 HH TYR A 10 -3.378 -6.128 -13.863 1.00 0.00 H new ATOM 146 N ALA A 11 0.385 -6.773 -6.883 1.00 0.00 N ATOM 147 CA ALA A 11 -0.469 -6.370 -5.774 1.00 0.00 C ATOM 148 C ALA A 11 0.056 -5.125 -5.112 1.00 0.00 C ATOM 149 O ALA A 11 -0.694 -4.194 -4.891 1.00 0.00 O ATOM 150 CB ALA A 11 -0.607 -7.495 -4.763 1.00 0.00 C ATOM 0 H ALA A 11 0.753 -7.721 -6.800 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.457 -6.148 -6.177 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.249 -7.171 -3.944 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.048 -8.367 -5.247 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.377 -7.755 -4.372 1.00 0.00 H new ATOM 156 N ALA A 12 1.354 -5.092 -4.852 1.00 0.00 N ATOM 157 CA ALA A 12 1.975 -3.944 -4.206 1.00 0.00 C ATOM 158 C ALA A 12 1.834 -2.690 -5.054 1.00 0.00 C ATOM 159 O ALA A 12 1.526 -1.625 -4.537 1.00 0.00 O ATOM 160 CB ALA A 12 3.428 -4.216 -3.917 1.00 0.00 C ATOM 0 H ALA A 12 2.000 -5.848 -5.079 1.00 0.00 H new ATOM 0 HA ALA A 12 1.456 -3.776 -3.262 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.872 -3.345 -3.435 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.512 -5.079 -3.257 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.953 -4.421 -4.850 1.00 0.00 H new ATOM 166 N LYS A 13 2.020 -2.842 -6.361 1.00 0.00 N ATOM 167 CA LYS A 13 1.901 -1.740 -7.313 1.00 0.00 C ATOM 168 C LYS A 13 0.491 -1.163 -7.253 1.00 0.00 C ATOM 169 O LYS A 13 0.287 0.065 -7.279 1.00 0.00 O ATOM 170 CB LYS A 13 2.199 -2.255 -8.730 1.00 0.00 C ATOM 171 CG LYS A 13 2.182 -1.194 -9.837 1.00 0.00 C ATOM 172 CD LYS A 13 3.262 -0.130 -9.651 1.00 0.00 C ATOM 173 CE LYS A 13 4.664 -0.707 -9.756 1.00 0.00 C ATOM 174 NZ LYS A 13 5.699 0.336 -9.610 1.00 0.00 N ATOM 0 H LYS A 13 2.258 -3.735 -6.793 1.00 0.00 H new ATOM 0 HA LYS A 13 2.616 -0.957 -7.059 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.178 -2.734 -8.725 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.469 -3.025 -8.978 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.320 -1.680 -10.803 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.204 -0.713 -9.859 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.135 0.649 -10.403 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.138 0.344 -8.677 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.803 -1.467 -8.987 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.782 -1.203 -10.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.641 -0.097 -9.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.582 1.048 -10.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.603 0.793 -8.680 1.00 0.00 H new ATOM 188 N LYS A 14 -0.458 -2.059 -7.165 1.00 0.00 N ATOM 189 CA LYS A 14 -1.852 -1.712 -7.047 1.00 0.00 C ATOM 190 C LYS A 14 -2.124 -1.003 -5.734 1.00 0.00 C ATOM 191 O LYS A 14 -2.773 0.043 -5.728 1.00 0.00 O ATOM 192 CB LYS A 14 -2.716 -2.956 -7.192 1.00 0.00 C ATOM 193 CG LYS A 14 -2.601 -3.598 -8.565 1.00 0.00 C ATOM 194 CD LYS A 14 -3.247 -2.741 -9.635 1.00 0.00 C ATOM 195 CE LYS A 14 -2.789 -3.128 -11.024 1.00 0.00 C ATOM 196 NZ LYS A 14 -3.454 -2.327 -12.070 1.00 0.00 N ATOM 0 H LYS A 14 -0.283 -3.064 -7.173 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.109 -1.022 -7.851 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.429 -3.682 -6.431 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.757 -2.693 -7.005 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.550 -3.754 -8.808 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.074 -4.580 -8.549 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.331 -2.837 -9.571 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.008 -1.693 -9.453 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.709 -2.997 -11.099 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.994 -4.185 -11.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.111 -2.625 -13.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.483 -2.471 -12.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.237 -1.320 -11.926 1.00 0.00 H new ATOM 210 N VAL A 15 -1.609 -1.564 -4.632 1.00 0.00 N ATOM 211 CA VAL A 15 -1.735 -0.943 -3.299 1.00 0.00 C ATOM 212 C VAL A 15 -1.207 0.483 -3.338 1.00 0.00 C ATOM 213 O VAL A 15 -1.873 1.404 -2.864 1.00 0.00 O ATOM 214 CB VAL A 15 -0.944 -1.708 -2.204 1.00 0.00 C ATOM 215 CG1 VAL A 15 -1.125 -1.052 -0.837 1.00 0.00 C ATOM 216 CG2 VAL A 15 -1.346 -3.156 -2.144 1.00 0.00 C ATOM 0 H VAL A 15 -1.100 -2.448 -4.633 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.795 -0.970 -3.048 1.00 0.00 H new ATOM 0 HB VAL A 15 0.111 -1.660 -2.475 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.560 -1.608 -0.089 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.763 -0.025 -0.876 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.182 -1.054 -0.569 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.772 -3.661 -1.367 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.409 -3.229 -1.916 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.148 -3.629 -3.106 1.00 0.00 H new ATOM 226 N ILE A 16 -0.027 0.649 -3.942 1.00 0.00 N ATOM 227 CA ILE A 16 0.624 1.952 -4.070 1.00 0.00 C ATOM 228 C ILE A 16 -0.295 2.937 -4.750 1.00 0.00 C ATOM 229 O ILE A 16 -0.488 4.040 -4.275 1.00 0.00 O ATOM 230 CB ILE A 16 1.963 1.862 -4.864 1.00 0.00 C ATOM 231 CG1 ILE A 16 2.996 1.032 -4.104 1.00 0.00 C ATOM 232 CG2 ILE A 16 2.524 3.251 -5.173 1.00 0.00 C ATOM 233 CD1 ILE A 16 3.409 1.622 -2.772 1.00 0.00 C ATOM 0 H ILE A 16 0.503 -0.118 -4.356 1.00 0.00 H new ATOM 0 HA ILE A 16 0.850 2.295 -3.060 1.00 0.00 H new ATOM 0 HB ILE A 16 1.746 1.365 -5.810 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.591 0.034 -3.937 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.882 0.916 -4.728 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.457 3.151 -5.727 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.804 3.809 -5.772 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.711 3.784 -4.241 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.144 0.971 -2.298 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.846 2.608 -2.931 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.535 1.712 -2.127 1.00 0.00 H new ATOM 245 N ASP A 17 -0.889 2.509 -5.830 1.00 0.00 N ATOM 246 CA ASP A 17 -1.790 3.353 -6.588 1.00 0.00 C ATOM 247 C ASP A 17 -3.022 3.728 -5.771 1.00 0.00 C ATOM 248 O ASP A 17 -3.466 4.871 -5.791 1.00 0.00 O ATOM 249 CB ASP A 17 -2.182 2.673 -7.892 1.00 0.00 C ATOM 250 CG ASP A 17 -3.213 3.438 -8.671 1.00 0.00 C ATOM 251 OD1 ASP A 17 -2.889 4.502 -9.242 1.00 0.00 O ATOM 252 OD2 ASP A 17 -4.357 2.961 -8.773 1.00 0.00 O ATOM 0 H ASP A 17 -0.767 1.572 -6.213 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.266 4.279 -6.827 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.292 2.543 -8.508 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.566 1.677 -7.674 1.00 0.00 H new ATOM 257 N ILE A 18 -3.524 2.793 -5.002 1.00 0.00 N ATOM 258 CA ILE A 18 -4.713 3.026 -4.192 1.00 0.00 C ATOM 259 C ILE A 18 -4.402 3.966 -3.023 1.00 0.00 C ATOM 260 O ILE A 18 -5.108 4.939 -2.809 1.00 0.00 O ATOM 261 CB ILE A 18 -5.302 1.714 -3.643 1.00 0.00 C ATOM 262 CG1 ILE A 18 -5.617 0.755 -4.784 1.00 0.00 C ATOM 263 CG2 ILE A 18 -6.562 2.003 -2.834 1.00 0.00 C ATOM 264 CD1 ILE A 18 -6.019 -0.625 -4.329 1.00 0.00 C ATOM 0 H ILE A 18 -3.131 1.856 -4.914 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.452 3.489 -4.847 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.564 1.246 -2.991 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.421 1.176 -5.388 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.742 0.674 -5.429 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.970 1.068 -2.450 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.316 2.661 -2.000 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.301 2.487 -3.472 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.227 -1.249 -5.198 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.208 -1.068 -3.750 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.913 -0.558 -3.709 1.00 0.00 H new ATOM 276 N ILE A 19 -3.340 3.681 -2.286 1.00 0.00 N ATOM 277 CA ILE A 19 -2.949 4.539 -1.156 1.00 0.00 C ATOM 278 C ILE A 19 -2.563 5.948 -1.651 1.00 0.00 C ATOM 279 O ILE A 19 -2.696 6.937 -0.928 1.00 0.00 O ATOM 280 CB ILE A 19 -1.777 3.938 -0.297 1.00 0.00 C ATOM 281 CG1 ILE A 19 -0.494 3.810 -1.130 1.00 0.00 C ATOM 282 CG2 ILE A 19 -2.175 2.587 0.293 1.00 0.00 C ATOM 283 CD1 ILE A 19 0.705 3.295 -0.369 1.00 0.00 C ATOM 0 H ILE A 19 -2.734 2.875 -2.439 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.822 4.601 -0.507 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.578 4.624 0.526 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.688 3.143 -1.970 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.250 4.787 -1.548 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.349 2.190 0.883 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.050 2.712 0.931 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.411 1.893 -0.514 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.564 3.238 -1.038 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.931 3.972 0.455 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.486 2.303 0.026 1.00 0.00 H new ATOM 295 N ASN A 20 -2.106 6.019 -2.892 1.00 0.00 N ATOM 296 CA ASN A 20 -1.691 7.274 -3.514 1.00 0.00 C ATOM 297 C ASN A 20 -2.931 8.082 -3.927 1.00 0.00 C ATOM 298 O ASN A 20 -2.967 9.308 -3.789 1.00 0.00 O ATOM 299 CB ASN A 20 -0.844 6.961 -4.759 1.00 0.00 C ATOM 300 CG ASN A 20 0.036 8.099 -5.239 1.00 0.00 C ATOM 301 OD1 ASN A 20 -0.263 9.272 -5.049 1.00 0.00 O ATOM 302 ND2 ASN A 20 1.127 7.741 -5.887 1.00 0.00 N ATOM 0 H ASN A 20 -2.011 5.206 -3.501 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.104 7.857 -2.805 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.212 6.100 -4.543 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.512 6.671 -5.570 1.00 0.00 H new ATOM 0 HD21 ASN A 20 1.760 8.453 -6.252 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.338 6.752 -6.023 1.00 0.00 H new ATOM 309 N THR A 21 -3.949 7.386 -4.402 1.00 0.00 N ATOM 310 CA THR A 21 -5.170 8.024 -4.862 1.00 0.00 C ATOM 311 C THR A 21 -6.099 8.367 -3.695 1.00 0.00 C ATOM 312 O THR A 21 -6.543 9.521 -3.550 1.00 0.00 O ATOM 313 CB THR A 21 -5.921 7.129 -5.893 1.00 0.00 C ATOM 314 OG1 THR A 21 -6.080 5.800 -5.374 1.00 0.00 O ATOM 315 CG2 THR A 21 -5.164 7.034 -7.191 1.00 0.00 C ATOM 0 H THR A 21 -3.953 6.369 -4.480 1.00 0.00 H new ATOM 0 HA THR A 21 -4.878 8.952 -5.353 1.00 0.00 H new ATOM 0 HB THR A 21 -6.892 7.590 -6.072 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.250 5.296 -5.504 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.715 6.403 -7.888 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.047 8.030 -7.618 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.181 6.600 -7.008 1.00 0.00 H new ATOM 323 N GLY A 22 -6.357 7.373 -2.858 1.00 0.00 N ATOM 324 CA GLY A 22 -7.255 7.506 -1.739 1.00 0.00 C ATOM 325 C GLY A 22 -6.779 8.502 -0.711 1.00 0.00 C ATOM 326 O GLY A 22 -5.565 8.683 -0.506 1.00 0.00 O ATOM 0 H GLY A 22 -5.941 6.446 -2.944 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.236 7.810 -2.103 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.379 6.533 -1.263 1.00 0.00 H new ATOM 330 N SER A 23 -7.712 9.138 -0.075 1.00 0.00 N ATOM 331 CA SER A 23 -7.430 10.141 0.906 1.00 0.00 C ATOM 332 C SER A 23 -7.641 9.614 2.320 1.00 0.00 C ATOM 333 O SER A 23 -6.677 9.397 3.061 1.00 0.00 O ATOM 334 CB SER A 23 -8.318 11.339 0.652 1.00 0.00 C ATOM 335 OG SER A 23 -8.017 11.956 -0.598 1.00 0.00 O ATOM 0 H SER A 23 -8.707 8.973 -0.224 1.00 0.00 H new ATOM 0 HA SER A 23 -6.383 10.430 0.821 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.363 11.028 0.663 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.192 12.064 1.456 1.00 0.00 H new ATOM 0 HG SER A 23 -8.608 12.725 -0.734 1.00 0.00 H new ATOM 341 N ALA A 24 -8.892 9.414 2.682 1.00 0.00 N ATOM 342 CA ALA A 24 -9.248 8.909 4.002 1.00 0.00 C ATOM 343 C ALA A 24 -8.792 7.472 4.157 1.00 0.00 C ATOM 344 O ALA A 24 -9.014 6.651 3.260 1.00 0.00 O ATOM 345 CB ALA A 24 -10.746 9.005 4.232 1.00 0.00 C ATOM 0 H ALA A 24 -9.692 9.595 2.075 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.744 9.524 4.747 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.987 8.622 5.224 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.059 10.046 4.159 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.268 8.415 3.479 1.00 0.00 H new ATOM 351 N VAL A 25 -8.194 7.168 5.291 1.00 0.00 N ATOM 352 CA VAL A 25 -7.644 5.842 5.572 1.00 0.00 C ATOM 353 C VAL A 25 -8.714 4.765 5.440 1.00 0.00 C ATOM 354 O VAL A 25 -8.496 3.758 4.776 1.00 0.00 O ATOM 355 CB VAL A 25 -6.981 5.783 6.979 1.00 0.00 C ATOM 356 CG1 VAL A 25 -6.411 4.401 7.274 1.00 0.00 C ATOM 357 CG2 VAL A 25 -5.890 6.831 7.095 1.00 0.00 C ATOM 0 H VAL A 25 -8.071 7.834 6.054 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.869 5.650 4.830 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.757 5.990 7.716 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.956 4.399 8.265 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.212 3.662 7.240 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.656 4.152 6.528 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.437 6.776 8.085 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.129 6.649 6.337 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.320 7.822 6.947 1.00 0.00 H new ATOM 367 N ALA A 26 -9.881 5.024 6.016 1.00 0.00 N ATOM 368 CA ALA A 26 -11.017 4.093 5.964 1.00 0.00 C ATOM 369 C ALA A 26 -11.399 3.781 4.518 1.00 0.00 C ATOM 370 O ALA A 26 -11.746 2.632 4.165 1.00 0.00 O ATOM 371 CB ALA A 26 -12.209 4.689 6.697 1.00 0.00 C ATOM 0 H ALA A 26 -10.073 5.882 6.533 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.722 3.163 6.450 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.047 3.994 6.654 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.942 4.872 7.738 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.493 5.629 6.225 1.00 0.00 H new ATOM 377 N THR A 27 -11.293 4.785 3.682 1.00 0.00 N ATOM 378 CA THR A 27 -11.621 4.663 2.297 1.00 0.00 C ATOM 379 C THR A 27 -10.565 3.811 1.592 1.00 0.00 C ATOM 380 O THR A 27 -10.896 2.902 0.832 1.00 0.00 O ATOM 381 CB THR A 27 -11.687 6.059 1.672 1.00 0.00 C ATOM 382 OG1 THR A 27 -12.561 6.866 2.482 1.00 0.00 O ATOM 383 CG2 THR A 27 -12.225 6.002 0.249 1.00 0.00 C ATOM 0 H THR A 27 -10.973 5.715 3.954 1.00 0.00 H new ATOM 0 HA THR A 27 -12.590 4.177 2.186 1.00 0.00 H new ATOM 0 HB THR A 27 -10.684 6.484 1.632 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.746 7.711 2.022 1.00 0.00 H new ATOM 0 HG21 THR A 27 -12.260 7.009 -0.167 1.00 0.00 H new ATOM 0 HG22 THR A 27 -11.572 5.379 -0.362 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.229 5.577 0.256 1.00 0.00 H new ATOM 391 N ILE A 28 -9.308 4.068 1.914 1.00 0.00 N ATOM 392 CA ILE A 28 -8.197 3.363 1.327 1.00 0.00 C ATOM 393 C ILE A 28 -8.248 1.893 1.697 1.00 0.00 C ATOM 394 O ILE A 28 -8.172 1.052 0.821 1.00 0.00 O ATOM 395 CB ILE A 28 -6.856 3.983 1.772 1.00 0.00 C ATOM 396 CG1 ILE A 28 -6.805 5.450 1.369 1.00 0.00 C ATOM 397 CG2 ILE A 28 -5.683 3.234 1.159 1.00 0.00 C ATOM 398 CD1 ILE A 28 -5.659 6.212 1.974 1.00 0.00 C ATOM 0 H ILE A 28 -9.036 4.777 2.595 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.271 3.453 0.243 1.00 0.00 H new ATOM 0 HB ILE A 28 -6.783 3.904 2.857 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.738 5.515 0.283 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -7.740 5.929 1.660 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.749 3.690 1.487 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.710 2.192 1.478 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.748 3.283 0.072 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.693 7.248 1.638 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.734 6.180 3.061 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.717 5.761 1.662 1.00 0.00 H new ATOM 410 N ILE A 29 -8.439 1.600 2.987 1.00 0.00 N ATOM 411 CA ILE A 29 -8.496 0.213 3.480 1.00 0.00 C ATOM 412 C ILE A 29 -9.518 -0.594 2.688 1.00 0.00 C ATOM 413 O ILE A 29 -9.220 -1.699 2.216 1.00 0.00 O ATOM 414 CB ILE A 29 -8.887 0.154 4.977 1.00 0.00 C ATOM 415 CG1 ILE A 29 -7.905 0.943 5.818 1.00 0.00 C ATOM 416 CG2 ILE A 29 -8.936 -1.299 5.467 1.00 0.00 C ATOM 417 CD1 ILE A 29 -8.393 1.185 7.214 1.00 0.00 C ATOM 0 H ILE A 29 -8.558 2.305 3.714 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.499 -0.209 3.353 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.878 0.596 5.082 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.957 0.407 5.858 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.710 1.901 5.336 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.213 -1.318 6.521 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.674 -1.854 4.888 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.956 -1.759 5.341 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.646 1.755 7.767 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.327 1.747 7.181 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -8.562 0.230 7.711 1.00 0.00 H new ATOM 429 N ALA A 30 -10.694 -0.013 2.495 1.00 0.00 N ATOM 430 CA ALA A 30 -11.765 -0.678 1.786 1.00 0.00 C ATOM 431 C ALA A 30 -11.373 -0.935 0.333 1.00 0.00 C ATOM 432 O ALA A 30 -11.590 -2.026 -0.199 1.00 0.00 O ATOM 433 CB ALA A 30 -13.033 0.150 1.865 1.00 0.00 C ATOM 0 H ALA A 30 -10.926 0.924 2.824 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.951 -1.643 2.258 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -13.834 -0.359 1.328 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -13.320 0.278 2.909 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.858 1.127 1.415 1.00 0.00 H new ATOM 439 N LEU A 31 -10.728 0.045 -0.273 1.00 0.00 N ATOM 440 CA LEU A 31 -10.333 -0.050 -1.668 1.00 0.00 C ATOM 441 C LEU A 31 -9.224 -1.079 -1.864 1.00 0.00 C ATOM 442 O LEU A 31 -9.292 -1.911 -2.772 1.00 0.00 O ATOM 443 CB LEU A 31 -9.893 1.313 -2.195 1.00 0.00 C ATOM 444 CG LEU A 31 -10.969 2.393 -2.284 1.00 0.00 C ATOM 445 CD1 LEU A 31 -10.343 3.726 -2.657 1.00 0.00 C ATOM 446 CD2 LEU A 31 -12.026 2.004 -3.307 1.00 0.00 C ATOM 0 H LEU A 31 -10.465 0.920 0.181 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.202 -0.382 -2.236 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.092 1.683 -1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.468 1.173 -3.189 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.447 2.490 -1.309 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.120 4.488 -2.718 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.614 4.010 -1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.846 3.637 -3.623 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.786 2.783 -3.359 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -11.560 1.886 -4.285 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.491 1.064 -3.011 1.00 0.00 H new ATOM 458 N VAL A 32 -8.231 -1.057 -0.986 1.00 0.00 N ATOM 459 CA VAL A 32 -7.101 -1.964 -1.106 1.00 0.00 C ATOM 460 C VAL A 32 -7.569 -3.402 -0.893 1.00 0.00 C ATOM 461 O VAL A 32 -7.181 -4.306 -1.628 1.00 0.00 O ATOM 462 CB VAL A 32 -5.938 -1.637 -0.116 1.00 0.00 C ATOM 463 CG1 VAL A 32 -4.702 -2.425 -0.465 1.00 0.00 C ATOM 464 CG2 VAL A 32 -5.600 -0.168 -0.114 1.00 0.00 C ATOM 0 H VAL A 32 -8.186 -0.424 -0.187 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.702 -1.836 -2.112 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.283 -1.916 0.879 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.905 -2.182 0.237 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.922 -3.491 -0.409 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.384 -2.173 -1.477 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.787 0.017 0.588 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.293 0.136 -1.115 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.476 0.407 0.187 1.00 0.00 H new ATOM 474 N THR A 33 -8.458 -3.591 0.062 1.00 0.00 N ATOM 475 CA THR A 33 -8.978 -4.905 0.372 1.00 0.00 C ATOM 476 C THR A 33 -9.852 -5.438 -0.778 1.00 0.00 C ATOM 477 O THR A 33 -9.907 -6.640 -1.018 1.00 0.00 O ATOM 478 CB THR A 33 -9.777 -4.881 1.693 1.00 0.00 C ATOM 479 OG1 THR A 33 -8.959 -4.280 2.706 1.00 0.00 O ATOM 480 CG2 THR A 33 -10.156 -6.292 2.135 1.00 0.00 C ATOM 0 H THR A 33 -8.837 -2.842 0.641 1.00 0.00 H new ATOM 0 HA THR A 33 -8.131 -5.579 0.495 1.00 0.00 H new ATOM 0 HB THR A 33 -10.694 -4.312 1.540 1.00 0.00 H new ATOM 0 HG1 THR A 33 -8.946 -3.308 2.582 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.718 -6.243 3.068 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.770 -6.762 1.366 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.251 -6.881 2.287 1.00 0.00 H new ATOM 488 N ALA A 34 -10.482 -4.545 -1.508 1.00 0.00 N ATOM 489 CA ALA A 34 -11.313 -4.938 -2.629 1.00 0.00 C ATOM 490 C ALA A 34 -10.454 -5.363 -3.815 1.00 0.00 C ATOM 491 O ALA A 34 -10.849 -6.221 -4.613 1.00 0.00 O ATOM 492 CB ALA A 34 -12.247 -3.805 -3.024 1.00 0.00 C ATOM 0 H ALA A 34 -10.436 -3.539 -1.347 1.00 0.00 H new ATOM 0 HA ALA A 34 -11.918 -5.792 -2.323 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.863 -4.118 -3.867 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.889 -3.552 -2.180 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -11.660 -2.932 -3.308 1.00 0.00 H new ATOM 498 N VAL A 35 -9.272 -4.794 -3.908 1.00 0.00 N ATOM 499 CA VAL A 35 -8.381 -5.074 -5.002 1.00 0.00 C ATOM 500 C VAL A 35 -7.473 -6.253 -4.699 1.00 0.00 C ATOM 501 O VAL A 35 -7.430 -7.221 -5.462 1.00 0.00 O ATOM 502 CB VAL A 35 -7.552 -3.820 -5.401 1.00 0.00 C ATOM 503 CG1 VAL A 35 -6.510 -4.146 -6.470 1.00 0.00 C ATOM 504 CG2 VAL A 35 -8.487 -2.730 -5.906 1.00 0.00 C ATOM 0 H VAL A 35 -8.907 -4.127 -3.228 1.00 0.00 H new ATOM 0 HA VAL A 35 -9.002 -5.347 -5.856 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.020 -3.473 -4.515 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.952 -3.244 -6.721 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.824 -4.903 -6.090 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.010 -4.524 -7.362 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.905 -1.852 -6.185 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.034 -3.094 -6.776 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.192 -2.462 -5.119 1.00 0.00 H new ATOM 514 N VAL A 36 -6.782 -6.212 -3.584 1.00 0.00 N ATOM 515 CA VAL A 36 -5.824 -7.277 -3.304 1.00 0.00 C ATOM 516 C VAL A 36 -6.461 -8.429 -2.559 1.00 0.00 C ATOM 517 O VAL A 36 -6.062 -9.575 -2.723 1.00 0.00 O ATOM 518 CB VAL A 36 -4.550 -6.787 -2.540 1.00 0.00 C ATOM 519 CG1 VAL A 36 -3.869 -5.655 -3.288 1.00 0.00 C ATOM 520 CG2 VAL A 36 -4.851 -6.390 -1.088 1.00 0.00 C ATOM 0 H VAL A 36 -6.853 -5.484 -2.873 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.497 -7.626 -4.284 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.863 -7.632 -2.497 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.986 -5.333 -2.735 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.571 -6.000 -4.278 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.560 -4.818 -3.388 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.933 -6.058 -0.604 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.581 -5.581 -1.076 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.253 -7.249 -0.552 1.00 0.00 H new ATOM 551 N LEU A 40 -4.916 -7.865 4.027 1.00 0.00 N ATOM 552 CA LEU A 40 -3.513 -7.674 4.348 1.00 0.00 C ATOM 553 C LEU A 40 -3.201 -6.217 4.677 1.00 0.00 C ATOM 554 O LEU A 40 -2.643 -5.905 5.741 1.00 0.00 O ATOM 555 CB LEU A 40 -2.670 -8.159 3.177 1.00 0.00 C ATOM 556 CG LEU A 40 -2.866 -9.625 2.791 1.00 0.00 C ATOM 557 CD1 LEU A 40 -2.050 -9.962 1.572 1.00 0.00 C ATOM 558 CD2 LEU A 40 -2.494 -10.537 3.940 1.00 0.00 C ATOM 0 HA LEU A 40 -3.274 -8.254 5.239 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.894 -7.539 2.309 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.619 -8.002 3.418 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.920 -9.777 2.559 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.201 -11.009 1.311 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.362 -9.332 0.739 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.994 -9.789 1.782 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.641 -11.575 3.643 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.448 -10.380 4.205 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.124 -10.313 4.801 1.00 0.00 H new ATOM 570 N ILE A 41 -3.555 -5.330 3.786 1.00 0.00 N ATOM 571 CA ILE A 41 -3.313 -3.940 4.021 1.00 0.00 C ATOM 572 C ILE A 41 -4.420 -3.378 4.893 1.00 0.00 C ATOM 573 O ILE A 41 -5.505 -3.038 4.415 1.00 0.00 O ATOM 574 CB ILE A 41 -3.151 -3.088 2.716 1.00 0.00 C ATOM 575 CG1 ILE A 41 -1.991 -3.593 1.837 1.00 0.00 C ATOM 576 CG2 ILE A 41 -2.928 -1.620 3.052 1.00 0.00 C ATOM 577 CD1 ILE A 41 -2.284 -4.838 1.033 1.00 0.00 C ATOM 0 H ILE A 41 -4.008 -5.547 2.898 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.352 -3.870 4.531 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.078 -3.196 2.153 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.704 -2.796 1.151 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.130 -3.788 2.477 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.818 -1.048 2.130 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.782 -1.242 3.614 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.024 -1.517 3.652 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.404 -5.110 0.450 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.539 -5.655 1.708 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.121 -4.648 0.361 1.00 0.00 H new ATOM 589 N THR A 42 -4.160 -3.357 6.163 1.00 0.00 N ATOM 590 CA THR A 42 -5.079 -2.851 7.141 1.00 0.00 C ATOM 591 C THR A 42 -4.740 -1.406 7.472 1.00 0.00 C ATOM 592 O THR A 42 -3.812 -0.838 6.882 1.00 0.00 O ATOM 593 CB THR A 42 -4.939 -3.691 8.406 1.00 0.00 C ATOM 594 OG1 THR A 42 -3.533 -3.878 8.678 1.00 0.00 O ATOM 595 CG2 THR A 42 -5.619 -5.033 8.250 1.00 0.00 C ATOM 0 H THR A 42 -3.284 -3.698 6.560 1.00 0.00 H new ATOM 0 HA THR A 42 -6.096 -2.901 6.752 1.00 0.00 H new ATOM 0 HB THR A 42 -5.420 -3.172 9.235 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.226 -4.708 8.257 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.502 -5.609 9.168 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.680 -4.882 8.049 1.00 0.00 H new ATOM 0 HG23 THR A 42 -5.166 -5.576 7.421 1.00 0.00 H new ATOM 603 N ALA A 43 -5.468 -0.825 8.424 1.00 0.00 N ATOM 604 CA ALA A 43 -5.262 0.561 8.870 1.00 0.00 C ATOM 605 C ALA A 43 -3.809 0.817 9.259 1.00 0.00 C ATOM 606 O ALA A 43 -3.268 1.901 9.010 1.00 0.00 O ATOM 607 CB ALA A 43 -6.184 0.878 10.041 1.00 0.00 C ATOM 0 H ALA A 43 -6.224 -1.302 8.914 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.502 1.218 8.035 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.023 1.907 10.363 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.222 0.753 9.731 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.968 0.201 10.868 1.00 0.00 H new ATOM 613 N GLY A 44 -3.189 -0.180 9.859 1.00 0.00 N ATOM 614 CA GLY A 44 -1.803 -0.085 10.238 1.00 0.00 C ATOM 615 C GLY A 44 -0.900 -0.023 9.030 1.00 0.00 C ATOM 616 O GLY A 44 -0.031 0.844 8.944 1.00 0.00 O ATOM 0 H GLY A 44 -3.631 -1.069 10.094 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.653 0.804 10.851 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.533 -0.945 10.851 1.00 0.00 H new ATOM 620 N ILE A 45 -1.160 -0.889 8.057 1.00 0.00 N ATOM 621 CA ILE A 45 -0.331 -0.971 6.876 1.00 0.00 C ATOM 622 C ILE A 45 -0.519 0.277 6.021 1.00 0.00 C ATOM 623 O ILE A 45 0.453 0.835 5.527 1.00 0.00 O ATOM 624 CB ILE A 45 -0.629 -2.256 6.049 1.00 0.00 C ATOM 625 CG1 ILE A 45 -0.430 -3.521 6.909 1.00 0.00 C ATOM 626 CG2 ILE A 45 0.255 -2.327 4.801 1.00 0.00 C ATOM 627 CD1 ILE A 45 0.984 -3.710 7.445 1.00 0.00 C ATOM 0 H ILE A 45 -1.943 -1.543 8.070 1.00 0.00 H new ATOM 0 HA ILE A 45 0.709 -1.030 7.198 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.671 -2.208 5.732 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.121 -3.484 7.751 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.698 -4.394 6.314 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.025 -3.235 4.243 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.067 -1.457 4.172 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.304 -2.340 5.098 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.029 -4.624 8.037 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.682 -3.783 6.611 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.253 -2.859 8.070 1.00 0.00 H new ATOM 639 N VAL A 46 -1.772 0.732 5.895 1.00 0.00 N ATOM 640 CA VAL A 46 -2.089 1.950 5.145 1.00 0.00 C ATOM 641 C VAL A 46 -1.315 3.133 5.719 1.00 0.00 C ATOM 642 O VAL A 46 -0.596 3.816 4.996 1.00 0.00 O ATOM 643 CB VAL A 46 -3.618 2.295 5.167 1.00 0.00 C ATOM 644 CG1 VAL A 46 -3.891 3.615 4.450 1.00 0.00 C ATOM 645 CG2 VAL A 46 -4.436 1.196 4.524 1.00 0.00 C ATOM 0 H VAL A 46 -2.584 0.272 6.305 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.800 1.762 4.111 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.913 2.389 6.212 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.959 3.831 4.480 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.345 4.418 4.945 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.565 3.540 3.413 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.492 1.464 4.554 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.123 1.069 3.488 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.282 0.263 5.067 1.00 0.00 H new ATOM 655 N ALA A 47 -1.431 3.326 7.035 1.00 0.00 N ATOM 656 CA ALA A 47 -0.783 4.438 7.730 1.00 0.00 C ATOM 657 C ALA A 47 0.723 4.429 7.511 1.00 0.00 C ATOM 658 O ALA A 47 1.329 5.479 7.210 1.00 0.00 O ATOM 659 CB ALA A 47 -1.098 4.386 9.212 1.00 0.00 C ATOM 0 H ALA A 47 -1.975 2.717 7.646 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.176 5.366 7.314 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.610 5.219 9.717 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.176 4.455 9.357 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.735 3.446 9.628 1.00 0.00 H new ATOM 665 N THR A 48 1.314 3.252 7.632 1.00 0.00 N ATOM 666 CA THR A 48 2.729 3.085 7.439 1.00 0.00 C ATOM 667 C THR A 48 3.120 3.345 5.975 1.00 0.00 C ATOM 668 O THR A 48 4.032 4.121 5.706 1.00 0.00 O ATOM 669 CB THR A 48 3.162 1.671 7.869 1.00 0.00 C ATOM 670 OG1 THR A 48 2.769 1.461 9.231 1.00 0.00 O ATOM 671 CG2 THR A 48 4.663 1.505 7.755 1.00 0.00 C ATOM 0 H THR A 48 0.819 2.391 7.867 1.00 0.00 H new ATOM 0 HA THR A 48 3.247 3.815 8.061 1.00 0.00 H new ATOM 0 HB THR A 48 2.683 0.943 7.214 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.818 1.225 9.265 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.942 0.498 8.065 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.969 1.665 6.721 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.159 2.233 8.397 1.00 0.00 H new ATOM 679 N ALA A 49 2.399 2.726 5.046 1.00 0.00 N ATOM 680 CA ALA A 49 2.659 2.869 3.614 1.00 0.00 C ATOM 681 C ALA A 49 2.587 4.330 3.182 1.00 0.00 C ATOM 682 O ALA A 49 3.461 4.811 2.466 1.00 0.00 O ATOM 683 CB ALA A 49 1.691 2.019 2.806 1.00 0.00 C ATOM 0 H ALA A 49 1.616 2.109 5.263 1.00 0.00 H new ATOM 0 HA ALA A 49 3.672 2.515 3.421 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.901 2.139 1.743 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.808 0.971 3.083 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.669 2.336 3.012 1.00 0.00 H new ATOM 689 N LYS A 50 1.565 5.034 3.661 1.00 0.00 N ATOM 690 CA LYS A 50 1.386 6.460 3.384 1.00 0.00 C ATOM 691 C LYS A 50 2.581 7.257 3.893 1.00 0.00 C ATOM 692 O LYS A 50 3.051 8.187 3.248 1.00 0.00 O ATOM 693 CB LYS A 50 0.099 6.974 4.041 1.00 0.00 C ATOM 694 CG LYS A 50 -1.186 6.410 3.441 1.00 0.00 C ATOM 695 CD LYS A 50 -1.476 6.970 2.057 1.00 0.00 C ATOM 696 CE LYS A 50 -1.884 8.433 2.129 1.00 0.00 C ATOM 697 NZ LYS A 50 -2.188 8.999 0.803 1.00 0.00 N ATOM 0 H LYS A 50 0.837 4.634 4.252 1.00 0.00 H new ATOM 0 HA LYS A 50 1.310 6.592 2.305 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.126 6.731 5.103 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.075 8.061 3.963 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.110 5.324 3.382 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.022 6.635 4.103 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.592 6.867 1.428 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.271 6.391 1.587 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.759 8.532 2.772 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.082 9.008 2.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.391 9.587 0.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.342 8.227 0.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.046 9.583 0.863 1.00 0.00 H new ATOM 711 N SER A 51 3.087 6.856 5.023 1.00 0.00 N ATOM 712 CA SER A 51 4.215 7.505 5.616 1.00 0.00 C ATOM 713 C SER A 51 5.459 7.245 4.784 1.00 0.00 C ATOM 714 O SER A 51 6.183 8.183 4.440 1.00 0.00 O ATOM 715 CB SER A 51 4.386 7.039 7.077 1.00 0.00 C ATOM 716 OG SER A 51 5.519 7.615 7.713 1.00 0.00 O ATOM 0 H SER A 51 2.726 6.067 5.559 1.00 0.00 H new ATOM 0 HA SER A 51 4.051 8.582 5.634 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.490 7.295 7.642 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.477 5.953 7.098 1.00 0.00 H new ATOM 0 HG SER A 51 5.260 8.456 8.145 1.00 0.00 H new ATOM 722 N LEU A 52 5.663 6.000 4.410 1.00 0.00 N ATOM 723 CA LEU A 52 6.829 5.599 3.654 1.00 0.00 C ATOM 724 C LEU A 52 6.852 6.261 2.288 1.00 0.00 C ATOM 725 O LEU A 52 7.910 6.676 1.826 1.00 0.00 O ATOM 726 CB LEU A 52 6.873 4.089 3.495 1.00 0.00 C ATOM 727 CG LEU A 52 6.799 3.285 4.781 1.00 0.00 C ATOM 728 CD1 LEU A 52 6.686 1.827 4.462 1.00 0.00 C ATOM 729 CD2 LEU A 52 8.005 3.540 5.667 1.00 0.00 C ATOM 0 H LEU A 52 5.022 5.235 4.623 1.00 0.00 H new ATOM 0 HA LEU A 52 7.709 5.923 4.210 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.047 3.786 2.852 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.794 3.824 2.976 1.00 0.00 H new ATOM 0 HG LEU A 52 5.913 3.604 5.331 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.633 1.255 5.388 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.784 1.652 3.875 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.558 1.511 3.890 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.919 2.948 6.578 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.913 3.257 5.135 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.050 4.598 5.924 1.00 0.00 H new ATOM 741 N ILE A 53 5.691 6.393 1.655 1.00 0.00 N ATOM 742 CA ILE A 53 5.635 7.018 0.342 1.00 0.00 C ATOM 743 C ILE A 53 5.888 8.512 0.420 1.00 0.00 C ATOM 744 O ILE A 53 6.378 9.101 -0.535 1.00 0.00 O ATOM 745 CB ILE A 53 4.321 6.742 -0.457 1.00 0.00 C ATOM 746 CG1 ILE A 53 3.098 7.354 0.232 1.00 0.00 C ATOM 747 CG2 ILE A 53 4.127 5.252 -0.665 1.00 0.00 C ATOM 748 CD1 ILE A 53 1.784 7.109 -0.492 1.00 0.00 C ATOM 0 H ILE A 53 4.792 6.081 2.023 1.00 0.00 H new ATOM 0 HA ILE A 53 6.439 6.539 -0.217 1.00 0.00 H new ATOM 0 HB ILE A 53 4.422 7.222 -1.431 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.024 6.950 1.241 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.251 8.429 0.330 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.207 5.079 -1.223 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.972 4.850 -1.224 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.063 4.755 0.303 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.970 7.576 0.063 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.834 7.539 -1.492 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.604 6.037 -0.566 1.00 0.00 H new ATOM 760 N LYS A 54 5.579 9.133 1.550 1.00 0.00 N ATOM 761 CA LYS A 54 5.815 10.562 1.661 1.00 0.00 C ATOM 762 C LYS A 54 7.291 10.894 1.899 1.00 0.00 C ATOM 763 O LYS A 54 7.785 11.928 1.436 1.00 0.00 O ATOM 764 CB LYS A 54 4.940 11.186 2.728 1.00 0.00 C ATOM 765 CG LYS A 54 3.467 11.131 2.406 1.00 0.00 C ATOM 766 CD LYS A 54 2.653 11.687 3.536 1.00 0.00 C ATOM 767 CE LYS A 54 1.174 11.596 3.250 1.00 0.00 C ATOM 768 NZ LYS A 54 0.384 12.134 4.363 1.00 0.00 N ATOM 0 H LYS A 54 5.178 8.687 2.375 1.00 0.00 H new ATOM 0 HA LYS A 54 5.541 10.997 0.700 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.116 10.676 3.675 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.235 12.226 2.866 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.268 11.697 1.496 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.171 10.100 2.212 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.881 11.143 4.452 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.928 12.728 3.706 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.943 12.146 2.338 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.898 10.556 3.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.629 12.058 4.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.588 11.593 5.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.632 13.133 4.513 1.00 0.00 H new ATOM 782 N LYS A 55 7.988 10.024 2.605 1.00 0.00 N ATOM 783 CA LYS A 55 9.405 10.242 2.911 1.00 0.00 C ATOM 784 C LYS A 55 10.330 9.579 1.926 1.00 0.00 C ATOM 785 O LYS A 55 11.218 10.221 1.364 1.00 0.00 O ATOM 786 CB LYS A 55 9.760 9.805 4.347 1.00 0.00 C ATOM 787 CG LYS A 55 9.088 8.527 4.806 1.00 0.00 C ATOM 788 CD LYS A 55 9.325 8.226 6.279 1.00 0.00 C ATOM 789 CE LYS A 55 8.761 9.314 7.211 1.00 0.00 C ATOM 790 NZ LYS A 55 7.304 9.525 7.042 1.00 0.00 N ATOM 0 H LYS A 55 7.604 9.157 2.981 1.00 0.00 H new ATOM 0 HA LYS A 55 9.555 11.318 2.827 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.840 9.676 4.416 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.490 10.608 5.033 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.016 8.601 4.624 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.456 7.694 4.207 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.867 7.269 6.527 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.396 8.122 6.456 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.965 9.039 8.246 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.282 10.252 7.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.945 10.112 7.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.125 10.006 6.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.817 8.606 7.048 1.00 0.00 H new ATOM 804 N TYR A 56 10.141 8.310 1.737 1.00 0.00 N ATOM 805 CA TYR A 56 11.012 7.528 0.910 1.00 0.00 C ATOM 806 C TYR A 56 10.482 7.471 -0.510 1.00 0.00 C ATOM 807 O TYR A 56 11.233 7.635 -1.472 1.00 0.00 O ATOM 808 CB TYR A 56 11.151 6.133 1.516 1.00 0.00 C ATOM 809 CG TYR A 56 11.499 6.159 2.990 1.00 0.00 C ATOM 810 CD1 TYR A 56 12.490 6.994 3.483 1.00 0.00 C ATOM 811 CD2 TYR A 56 10.853 5.333 3.875 1.00 0.00 C ATOM 812 CE1 TYR A 56 12.825 6.991 4.812 1.00 0.00 C ATOM 813 CE2 TYR A 56 11.171 5.325 5.210 1.00 0.00 C ATOM 814 CZ TYR A 56 12.167 6.156 5.674 1.00 0.00 C ATOM 815 OH TYR A 56 12.508 6.143 7.005 1.00 0.00 O ATOM 0 H TYR A 56 9.374 7.783 2.154 1.00 0.00 H new ATOM 0 HA TYR A 56 11.998 7.990 0.867 1.00 0.00 H new ATOM 0 HB2 TYR A 56 10.217 5.589 1.379 1.00 0.00 H new ATOM 0 HB3 TYR A 56 11.922 5.584 0.976 1.00 0.00 H new ATOM 0 HD1 TYR A 56 13.007 7.659 2.807 1.00 0.00 H new ATOM 0 HD2 TYR A 56 10.077 4.675 3.513 1.00 0.00 H new ATOM 0 HE1 TYR A 56 13.604 7.644 5.177 1.00 0.00 H new ATOM 0 HE2 TYR A 56 10.645 4.673 5.891 1.00 0.00 H new ATOM 0 HH TYR A 56 11.946 5.496 7.480 1.00 0.00 H new ATOM 825 N GLY A 57 9.200 7.265 -0.646 1.00 0.00 N ATOM 826 CA GLY A 57 8.601 7.275 -1.951 1.00 0.00 C ATOM 827 C GLY A 57 7.780 6.047 -2.246 1.00 0.00 C ATOM 828 O GLY A 57 7.838 5.039 -1.510 1.00 0.00 O ATOM 0 H GLY A 57 8.555 7.090 0.125 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.967 8.157 -2.044 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.386 7.366 -2.702 1.00 0.00 H new ATOM 832 N ALA A 58 7.030 6.129 -3.330 1.00 0.00 N ATOM 833 CA ALA A 58 6.140 5.076 -3.802 1.00 0.00 C ATOM 834 C ALA A 58 6.923 3.819 -4.190 1.00 0.00 C ATOM 835 O ALA A 58 6.414 2.698 -4.103 1.00 0.00 O ATOM 836 CB ALA A 58 5.322 5.591 -4.988 1.00 0.00 C ATOM 0 H ALA A 58 7.021 6.956 -3.927 1.00 0.00 H new ATOM 0 HA ALA A 58 5.464 4.802 -2.992 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.657 4.803 -5.341 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.731 6.452 -4.676 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.995 5.885 -5.794 1.00 0.00 H new ATOM 842 N LYS A 59 8.153 4.016 -4.599 1.00 0.00 N ATOM 843 CA LYS A 59 9.039 2.929 -4.981 1.00 0.00 C ATOM 844 C LYS A 59 9.480 2.130 -3.758 1.00 0.00 C ATOM 845 O LYS A 59 9.483 0.892 -3.773 1.00 0.00 O ATOM 846 CB LYS A 59 10.249 3.491 -5.740 1.00 0.00 C ATOM 847 CG LYS A 59 11.335 2.487 -6.051 1.00 0.00 C ATOM 848 CD LYS A 59 12.446 3.114 -6.870 1.00 0.00 C ATOM 849 CE LYS A 59 13.525 2.099 -7.205 1.00 0.00 C ATOM 850 NZ LYS A 59 12.972 0.929 -7.918 1.00 0.00 N ATOM 0 H LYS A 59 8.576 4.941 -4.679 1.00 0.00 H new ATOM 0 HA LYS A 59 8.499 2.248 -5.639 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.900 3.927 -6.676 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.682 4.301 -5.153 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.744 2.091 -5.122 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.909 1.645 -6.596 1.00 0.00 H new ATOM 0 HD2 LYS A 59 12.033 3.527 -7.791 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.884 3.945 -6.317 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.291 2.572 -7.820 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.012 1.769 -6.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.628 0.639 -8.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.844 0.143 -7.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.054 1.180 -8.337 1.00 0.00 H new ATOM 864 N TYR A 60 9.789 2.840 -2.692 1.00 0.00 N ATOM 865 CA TYR A 60 10.262 2.235 -1.466 1.00 0.00 C ATOM 866 C TYR A 60 9.174 1.375 -0.874 1.00 0.00 C ATOM 867 O TYR A 60 9.402 0.216 -0.477 1.00 0.00 O ATOM 868 CB TYR A 60 10.667 3.329 -0.456 1.00 0.00 C ATOM 869 CG TYR A 60 11.033 2.799 0.919 1.00 0.00 C ATOM 870 CD1 TYR A 60 10.049 2.521 1.855 1.00 0.00 C ATOM 871 CD2 TYR A 60 12.340 2.558 1.263 1.00 0.00 C ATOM 872 CE1 TYR A 60 10.351 2.013 3.088 1.00 0.00 C ATOM 873 CE2 TYR A 60 12.664 2.044 2.501 1.00 0.00 C ATOM 874 CZ TYR A 60 11.666 1.770 3.411 1.00 0.00 C ATOM 875 OH TYR A 60 11.990 1.244 4.643 1.00 0.00 O ATOM 0 H TYR A 60 9.718 3.857 -2.653 1.00 0.00 H new ATOM 0 HA TYR A 60 11.133 1.618 -1.687 1.00 0.00 H new ATOM 0 HB2 TYR A 60 11.515 3.883 -0.858 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.844 4.036 -0.354 1.00 0.00 H new ATOM 0 HD1 TYR A 60 9.016 2.711 1.604 1.00 0.00 H new ATOM 0 HD2 TYR A 60 13.126 2.774 0.554 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.566 1.805 3.800 1.00 0.00 H new ATOM 0 HE2 TYR A 60 13.696 1.857 2.757 1.00 0.00 H new ATOM 0 HH TYR A 60 12.962 1.134 4.706 1.00 0.00 H new ATOM 885 N ALA A 61 7.994 1.946 -0.814 1.00 0.00 N ATOM 886 CA ALA A 61 6.865 1.292 -0.230 1.00 0.00 C ATOM 887 C ALA A 61 6.451 0.095 -1.033 1.00 0.00 C ATOM 888 O ALA A 61 6.001 -0.872 -0.474 1.00 0.00 O ATOM 889 CB ALA A 61 5.730 2.239 -0.077 1.00 0.00 C ATOM 0 H ALA A 61 7.798 2.881 -1.172 1.00 0.00 H new ATOM 0 HA ALA A 61 7.159 0.943 0.760 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.881 1.721 0.369 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.030 3.065 0.567 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.445 2.626 -1.055 1.00 0.00 H new ATOM 895 N ALA A 62 6.628 0.159 -2.346 1.00 0.00 N ATOM 896 CA ALA A 62 6.315 -0.966 -3.211 1.00 0.00 C ATOM 897 C ALA A 62 7.139 -2.172 -2.796 1.00 0.00 C ATOM 898 O ALA A 62 6.615 -3.284 -2.651 1.00 0.00 O ATOM 899 CB ALA A 62 6.585 -0.616 -4.664 1.00 0.00 C ATOM 0 H ALA A 62 6.987 0.980 -2.834 1.00 0.00 H new ATOM 0 HA ALA A 62 5.256 -1.204 -3.111 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.344 -1.472 -5.295 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.968 0.234 -4.954 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.637 -0.359 -4.787 1.00 0.00 H new ATOM 905 N ALA A 63 8.417 -1.936 -2.567 1.00 0.00 N ATOM 906 CA ALA A 63 9.325 -2.969 -2.120 1.00 0.00 C ATOM 907 C ALA A 63 8.938 -3.434 -0.718 1.00 0.00 C ATOM 908 O ALA A 63 8.852 -4.638 -0.450 1.00 0.00 O ATOM 909 CB ALA A 63 10.753 -2.448 -2.130 1.00 0.00 C ATOM 0 H ALA A 63 8.853 -1.021 -2.686 1.00 0.00 H new ATOM 0 HA ALA A 63 9.259 -3.818 -2.800 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.429 -3.233 -1.792 1.00 0.00 H new ATOM 0 HB2 ALA A 63 11.024 -2.147 -3.142 1.00 0.00 H new ATOM 0 HB3 ALA A 63 10.832 -1.589 -1.463 1.00 0.00 H new ATOM 915 N TRP A 64 8.656 -2.465 0.146 1.00 0.00 N ATOM 916 CA TRP A 64 8.287 -2.710 1.541 1.00 0.00 C ATOM 917 C TRP A 64 7.021 -3.569 1.644 1.00 0.00 C ATOM 918 O TRP A 64 6.985 -4.552 2.403 1.00 0.00 O ATOM 919 CB TRP A 64 8.097 -1.367 2.287 1.00 0.00 C ATOM 920 CG TRP A 64 7.682 -1.510 3.720 1.00 0.00 C ATOM 921 CD1 TRP A 64 8.501 -1.593 4.787 1.00 0.00 C ATOM 922 CD2 TRP A 64 6.340 -1.571 4.238 1.00 0.00 C ATOM 923 NE1 TRP A 64 7.772 -1.721 5.937 1.00 0.00 N ATOM 924 CE2 TRP A 64 6.442 -1.707 5.630 1.00 0.00 C ATOM 925 CE3 TRP A 64 5.073 -1.527 3.656 1.00 0.00 C ATOM 926 CZ2 TRP A 64 5.324 -1.801 6.454 1.00 0.00 C ATOM 927 CZ3 TRP A 64 3.967 -1.618 4.476 1.00 0.00 C ATOM 928 CH2 TRP A 64 4.097 -1.752 5.855 1.00 0.00 C ATOM 0 H TRP A 64 8.677 -1.476 -0.102 1.00 0.00 H new ATOM 0 HA TRP A 64 9.099 -3.264 2.012 1.00 0.00 H new ATOM 0 HB2 TRP A 64 9.031 -0.807 2.246 1.00 0.00 H new ATOM 0 HB3 TRP A 64 7.347 -0.776 1.761 1.00 0.00 H new ATOM 0 HD1 TRP A 64 9.580 -1.563 4.741 1.00 0.00 H new ATOM 0 HE1 TRP A 64 8.161 -1.812 6.876 1.00 0.00 H new ATOM 0 HE3 TRP A 64 4.960 -1.424 2.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 5.423 -1.908 7.524 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 2.980 -1.585 4.039 1.00 0.00 H new ATOM 0 HH2 TRP A 64 3.208 -1.819 6.465 1.00 0.00 H new