USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=18 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 Single : A 1 LEU N :NH3+ 139:sc= 1.14 (180deg=-0.469) USER MOD Single : A 2 THR OG1 : rot 87:sc= 0.0124 USER MOD Single : A 4 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0.172 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+ 173:sc= -0.0107 (180deg=-0.119) 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=-0.091) USER MOD Single : A 21 THR OG1 : rot -86:sc= 0.809 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -170:sc= -0.571 USER MOD Single : A 33 THR OG1 : rot 81:sc= 1.22 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.52 USER MOD Single : A 48 THR OG1 : rot 91:sc= 1.34 USER MOD Single : A 50 LYS NZ :NH3+ -106:sc= 1.04 (180deg=-0.0943) USER MOD Single : A 51 SER OG : rot 85:sc= 1.24 USER MOD Single : A 54 LYS NZ :NH3+ 170:sc= -0.0114 (180deg=-0.126) USER MOD Single : A 55 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.029) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 6.007 -3.213 0.918 1.00 0.00 N ATOM 2 CA LEU A 1 4.722 -3.895 0.865 1.00 0.00 C ATOM 3 C LEU A 1 4.908 -5.342 0.482 1.00 0.00 C ATOM 4 O LEU A 1 4.500 -6.236 1.210 1.00 0.00 O ATOM 5 CB LEU A 1 3.783 -3.217 -0.141 1.00 0.00 C ATOM 6 CG LEU A 1 3.247 -1.830 0.218 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.520 -1.246 -0.968 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.302 -1.905 1.403 1.00 0.00 C ATOM 0 H1 LEU A 1 5.914 -2.265 0.500 1.00 0.00 H new ATOM 0 HA LEU A 1 4.274 -3.839 1.857 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.309 -3.138 -1.092 1.00 0.00 H new ATOM 0 HB3 LEU A 1 2.930 -3.876 -0.302 1.00 0.00 H new ATOM 0 HG LEU A 1 4.090 -1.194 0.486 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.139 -0.258 -0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.207 -1.162 -1.810 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.689 -1.896 -1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 1 1.934 -0.906 1.639 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.461 -2.553 1.157 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.831 -2.310 2.266 1.00 0.00 H new ATOM 20 N THR A 2 5.577 -5.562 -0.628 1.00 0.00 N ATOM 21 CA THR A 2 5.834 -6.891 -1.127 1.00 0.00 C ATOM 22 C THR A 2 6.563 -7.736 -0.086 1.00 0.00 C ATOM 23 O THR A 2 6.139 -8.858 0.202 1.00 0.00 O ATOM 24 CB THR A 2 6.641 -6.822 -2.456 1.00 0.00 C ATOM 25 OG1 THR A 2 5.842 -6.258 -3.501 1.00 0.00 O ATOM 26 CG2 THR A 2 7.192 -8.172 -2.877 1.00 0.00 C ATOM 0 H THR A 2 5.959 -4.818 -1.212 1.00 0.00 H new ATOM 0 HA THR A 2 4.878 -7.373 -1.331 1.00 0.00 H new ATOM 0 HB THR A 2 7.498 -6.174 -2.272 1.00 0.00 H new ATOM 0 HG1 THR A 2 5.923 -5.282 -3.484 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.746 -8.064 -3.810 1.00 0.00 H new ATOM 0 HG22 THR A 2 7.858 -8.551 -2.102 1.00 0.00 H new ATOM 0 HG23 THR A 2 6.369 -8.872 -3.022 1.00 0.00 H new ATOM 34 N ALA A 3 7.582 -7.153 0.517 1.00 0.00 N ATOM 35 CA ALA A 3 8.426 -7.830 1.492 1.00 0.00 C ATOM 36 C ALA A 3 7.659 -8.239 2.746 1.00 0.00 C ATOM 37 O ALA A 3 7.740 -9.388 3.192 1.00 0.00 O ATOM 38 CB ALA A 3 9.591 -6.934 1.878 1.00 0.00 C ATOM 0 H ALA A 3 7.853 -6.185 0.344 1.00 0.00 H new ATOM 0 HA ALA A 3 8.792 -8.742 1.021 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.218 -7.447 2.607 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.181 -6.702 0.991 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.211 -6.010 2.312 1.00 0.00 H new ATOM 44 N ASN A 4 6.893 -7.324 3.284 1.00 0.00 N ATOM 45 CA ASN A 4 6.232 -7.541 4.563 1.00 0.00 C ATOM 46 C ASN A 4 4.902 -8.234 4.434 1.00 0.00 C ATOM 47 O ASN A 4 4.526 -9.021 5.297 1.00 0.00 O ATOM 48 CB ASN A 4 6.079 -6.234 5.342 1.00 0.00 C ATOM 49 CG ASN A 4 7.410 -5.666 5.801 1.00 0.00 C ATOM 50 OD1 ASN A 4 7.902 -5.997 6.868 1.00 0.00 O ATOM 51 ND2 ASN A 4 7.998 -4.821 5.008 1.00 0.00 N ATOM 0 H ASN A 4 6.706 -6.415 2.860 1.00 0.00 H new ATOM 0 HA ASN A 4 6.885 -8.211 5.123 1.00 0.00 H new ATOM 0 HB2 ASN A 4 5.572 -5.500 4.716 1.00 0.00 H new ATOM 0 HB3 ASN A 4 5.443 -6.406 6.210 1.00 0.00 H new ATOM 0 HD21 ASN A 4 8.896 -4.415 5.271 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.562 -4.564 4.123 1.00 0.00 H new ATOM 58 N LEU A 5 4.182 -7.953 3.383 1.00 0.00 N ATOM 59 CA LEU A 5 2.877 -8.569 3.199 1.00 0.00 C ATOM 60 C LEU A 5 3.030 -9.891 2.489 1.00 0.00 C ATOM 61 O LEU A 5 2.228 -10.806 2.681 1.00 0.00 O ATOM 62 CB LEU A 5 2.003 -7.666 2.358 1.00 0.00 C ATOM 63 CG LEU A 5 1.820 -6.247 2.868 1.00 0.00 C ATOM 64 CD1 LEU A 5 1.201 -5.412 1.786 1.00 0.00 C ATOM 65 CD2 LEU A 5 0.958 -6.226 4.120 1.00 0.00 C ATOM 0 H LEU A 5 4.464 -7.310 2.643 1.00 0.00 H new ATOM 0 HA LEU A 5 2.421 -8.725 4.176 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.425 -7.618 1.354 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.020 -8.127 2.268 1.00 0.00 H new ATOM 0 HG LEU A 5 2.794 -5.835 3.132 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.067 -4.392 2.146 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.853 -5.406 0.913 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.232 -5.831 1.512 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.842 -5.199 4.465 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.022 -6.645 3.894 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.435 -6.819 4.900 1.00 0.00 H new ATOM 77 N GLY A 6 4.078 -10.001 1.690 1.00 0.00 N ATOM 78 CA GLY A 6 4.316 -11.224 0.974 1.00 0.00 C ATOM 79 C GLY A 6 3.481 -11.276 -0.262 1.00 0.00 C ATOM 80 O GLY A 6 2.955 -12.329 -0.634 1.00 0.00 O ATOM 0 H GLY A 6 4.764 -9.264 1.528 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.371 -11.299 0.711 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.085 -12.077 1.612 1.00 0.00 H new ATOM 84 N ILE A 7 3.374 -10.150 -0.915 1.00 0.00 N ATOM 85 CA ILE A 7 2.520 -10.030 -2.085 1.00 0.00 C ATOM 86 C ILE A 7 3.352 -9.849 -3.329 1.00 0.00 C ATOM 87 O ILE A 7 4.564 -9.708 -3.243 1.00 0.00 O ATOM 88 CB ILE A 7 1.511 -8.861 -1.966 1.00 0.00 C ATOM 89 CG1 ILE A 7 2.234 -7.518 -1.756 1.00 0.00 C ATOM 90 CG2 ILE A 7 0.510 -9.129 -0.848 1.00 0.00 C ATOM 91 CD1 ILE A 7 1.311 -6.320 -1.744 1.00 0.00 C ATOM 0 H ILE A 7 3.867 -9.294 -0.662 1.00 0.00 H new ATOM 0 HA ILE A 7 1.949 -10.956 -2.151 1.00 0.00 H new ATOM 0 HB ILE A 7 0.961 -8.792 -2.905 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.779 -7.554 -0.813 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.973 -7.387 -2.546 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.191 -8.297 -0.780 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.037 -10.047 -1.062 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.041 -9.235 0.098 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.895 -5.412 -1.591 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.784 -6.257 -2.696 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.588 -6.426 -0.936 1.00 0.00 H new ATOM 103 N SER A 8 2.713 -9.835 -4.463 1.00 0.00 N ATOM 104 CA SER A 8 3.404 -9.693 -5.710 1.00 0.00 C ATOM 105 C SER A 8 3.754 -8.229 -5.974 1.00 0.00 C ATOM 106 O SER A 8 3.228 -7.312 -5.308 1.00 0.00 O ATOM 107 CB SER A 8 2.546 -10.268 -6.839 1.00 0.00 C ATOM 108 OG SER A 8 1.264 -9.644 -6.873 1.00 0.00 O ATOM 0 H SER A 8 1.700 -9.922 -4.548 1.00 0.00 H new ATOM 0 HA SER A 8 4.341 -10.249 -5.664 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.051 -10.123 -7.794 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.428 -11.343 -6.700 1.00 0.00 H new ATOM 0 HG SER A 8 0.734 -10.026 -7.603 1.00 0.00 H new ATOM 114 N SER A 9 4.634 -8.003 -6.930 1.00 0.00 N ATOM 115 CA SER A 9 5.013 -6.669 -7.311 1.00 0.00 C ATOM 116 C SER A 9 3.824 -5.974 -7.985 1.00 0.00 C ATOM 117 O SER A 9 3.657 -4.746 -7.875 1.00 0.00 O ATOM 118 CB SER A 9 6.245 -6.704 -8.233 1.00 0.00 C ATOM 119 OG SER A 9 6.694 -5.395 -8.562 1.00 0.00 O ATOM 0 H SER A 9 5.101 -8.740 -7.459 1.00 0.00 H new ATOM 0 HA SER A 9 5.287 -6.099 -6.423 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.050 -7.252 -7.744 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.000 -7.245 -9.147 1.00 0.00 H new ATOM 0 HG SER A 9 7.478 -5.455 -9.147 1.00 0.00 H new ATOM 125 N TYR A 10 2.979 -6.774 -8.654 1.00 0.00 N ATOM 126 CA TYR A 10 1.780 -6.266 -9.295 1.00 0.00 C ATOM 127 C TYR A 10 0.851 -5.729 -8.224 1.00 0.00 C ATOM 128 O TYR A 10 0.429 -4.578 -8.282 1.00 0.00 O ATOM 129 CB TYR A 10 1.076 -7.392 -10.070 1.00 0.00 C ATOM 130 CG TYR A 10 -0.097 -6.951 -10.947 1.00 0.00 C ATOM 131 CD1 TYR A 10 -1.355 -6.650 -10.408 1.00 0.00 C ATOM 132 CD2 TYR A 10 0.053 -6.858 -12.321 1.00 0.00 C ATOM 133 CE1 TYR A 10 -2.405 -6.276 -11.215 1.00 0.00 C ATOM 134 CE2 TYR A 10 -0.996 -6.478 -13.131 1.00 0.00 C ATOM 135 CZ TYR A 10 -2.221 -6.190 -12.574 1.00 0.00 C ATOM 136 OH TYR A 10 -3.270 -5.817 -13.385 1.00 0.00 O ATOM 0 H TYR A 10 3.115 -7.779 -8.759 1.00 0.00 H new ATOM 0 HA TYR A 10 2.046 -5.474 -9.995 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.812 -7.891 -10.701 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.715 -8.132 -9.355 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.503 -6.713 -9.340 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.010 -7.088 -12.766 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -3.369 -6.051 -10.782 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.857 -6.407 -14.200 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.973 -5.804 -14.319 1.00 0.00 H new ATOM 146 N ALA A 11 0.571 -6.572 -7.229 1.00 0.00 N ATOM 147 CA ALA A 11 -0.319 -6.216 -6.140 1.00 0.00 C ATOM 148 C ALA A 11 0.194 -5.017 -5.388 1.00 0.00 C ATOM 149 O ALA A 11 -0.564 -4.112 -5.109 1.00 0.00 O ATOM 150 CB ALA A 11 -0.534 -7.390 -5.203 1.00 0.00 C ATOM 0 H ALA A 11 0.956 -7.514 -7.162 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.283 -5.952 -6.575 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.205 -7.094 -4.397 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.974 -8.220 -5.755 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.423 -7.700 -4.783 1.00 0.00 H new ATOM 156 N ALA A 12 1.492 -4.996 -5.104 1.00 0.00 N ATOM 157 CA ALA A 12 2.107 -3.877 -4.393 1.00 0.00 C ATOM 158 C ALA A 12 1.928 -2.580 -5.159 1.00 0.00 C ATOM 159 O ALA A 12 1.589 -1.560 -4.581 1.00 0.00 O ATOM 160 CB ALA A 12 3.575 -4.136 -4.148 1.00 0.00 C ATOM 0 H ALA A 12 2.141 -5.742 -5.355 1.00 0.00 H new ATOM 0 HA ALA A 12 1.604 -3.782 -3.430 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.010 -3.289 -3.618 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.690 -5.038 -3.547 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.085 -4.268 -5.102 1.00 0.00 H new ATOM 166 N LYS A 13 2.114 -2.644 -6.469 1.00 0.00 N ATOM 167 CA LYS A 13 1.975 -1.479 -7.335 1.00 0.00 C ATOM 168 C LYS A 13 0.540 -0.968 -7.285 1.00 0.00 C ATOM 169 O LYS A 13 0.288 0.245 -7.239 1.00 0.00 O ATOM 170 CB LYS A 13 2.352 -1.859 -8.766 1.00 0.00 C ATOM 171 CG LYS A 13 2.386 -0.710 -9.767 1.00 0.00 C ATOM 172 CD LYS A 13 3.406 0.357 -9.387 1.00 0.00 C ATOM 173 CE LYS A 13 3.538 1.405 -10.484 1.00 0.00 C ATOM 174 NZ LYS A 13 2.260 2.085 -10.776 1.00 0.00 N ATOM 0 H LYS A 13 2.365 -3.501 -6.962 1.00 0.00 H new ATOM 0 HA LYS A 13 2.641 -0.688 -6.991 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.334 -2.332 -8.750 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.644 -2.607 -9.123 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.623 -1.100 -10.757 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.397 -0.257 -9.831 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.105 0.837 -8.456 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.375 -0.109 -9.207 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.280 2.146 -10.186 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.909 0.930 -11.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.427 2.867 -11.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.594 1.407 -11.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.858 2.461 -9.894 1.00 0.00 H new ATOM 188 N LYS A 14 -0.380 -1.903 -7.287 1.00 0.00 N ATOM 189 CA LYS A 14 -1.789 -1.604 -7.175 1.00 0.00 C ATOM 190 C LYS A 14 -2.098 -0.961 -5.834 1.00 0.00 C ATOM 191 O LYS A 14 -2.794 0.045 -5.784 1.00 0.00 O ATOM 192 CB LYS A 14 -2.618 -2.862 -7.391 1.00 0.00 C ATOM 193 CG LYS A 14 -2.461 -3.447 -8.789 1.00 0.00 C ATOM 194 CD LYS A 14 -3.052 -2.532 -9.847 1.00 0.00 C ATOM 195 CE LYS A 14 -2.645 -2.935 -11.244 1.00 0.00 C ATOM 196 NZ LYS A 14 -3.147 -1.997 -12.274 1.00 0.00 N ATOM 0 H LYS A 14 -0.172 -2.898 -7.367 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.055 -0.888 -7.953 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.328 -3.612 -6.655 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.669 -2.632 -7.215 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.404 -3.612 -8.999 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.950 -4.420 -8.834 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.139 -2.545 -9.770 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.731 -1.507 -9.659 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.558 -2.985 -11.302 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.022 -3.936 -11.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.841 -2.318 -13.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.186 -1.967 -12.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.767 -1.046 -12.092 1.00 0.00 H new ATOM 210 N VAL A 15 -1.559 -1.534 -4.759 1.00 0.00 N ATOM 211 CA VAL A 15 -1.705 -0.961 -3.416 1.00 0.00 C ATOM 212 C VAL A 15 -1.186 0.473 -3.410 1.00 0.00 C ATOM 213 O VAL A 15 -1.853 1.369 -2.897 1.00 0.00 O ATOM 214 CB VAL A 15 -0.940 -1.772 -2.331 1.00 0.00 C ATOM 215 CG1 VAL A 15 -1.135 -1.161 -0.946 1.00 0.00 C ATOM 216 CG2 VAL A 15 -1.373 -3.219 -2.326 1.00 0.00 C ATOM 0 H VAL A 15 -1.016 -2.397 -4.789 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.767 -0.993 -3.172 1.00 0.00 H new ATOM 0 HB VAL A 15 0.120 -1.729 -2.581 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.589 -1.749 -0.209 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.760 -0.138 -0.944 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.196 -1.159 -0.695 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.822 -3.761 -1.558 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.441 -3.278 -2.116 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.169 -3.663 -3.300 1.00 0.00 H new ATOM 226 N ILE A 16 -0.018 0.678 -4.030 1.00 0.00 N ATOM 227 CA ILE A 16 0.600 2.001 -4.144 1.00 0.00 C ATOM 228 C ILE A 16 -0.349 2.968 -4.827 1.00 0.00 C ATOM 229 O ILE A 16 -0.549 4.082 -4.359 1.00 0.00 O ATOM 230 CB ILE A 16 1.943 1.956 -4.941 1.00 0.00 C ATOM 231 CG1 ILE A 16 2.998 1.128 -4.198 1.00 0.00 C ATOM 232 CG2 ILE A 16 2.475 3.364 -5.227 1.00 0.00 C ATOM 233 CD1 ILE A 16 3.406 1.692 -2.853 1.00 0.00 C ATOM 0 H ILE A 16 0.523 -0.069 -4.466 1.00 0.00 H new ATOM 0 HA ILE A 16 0.816 2.340 -3.131 1.00 0.00 H new ATOM 0 HB ILE A 16 1.735 1.474 -5.896 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.613 0.119 -4.053 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.884 1.044 -4.827 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.410 3.294 -5.783 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.743 3.917 -5.816 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.651 3.885 -4.286 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.155 1.043 -2.398 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.824 2.690 -2.988 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.533 1.750 -2.203 1.00 0.00 H new ATOM 245 N ASP A 17 -0.957 2.515 -5.907 1.00 0.00 N ATOM 246 CA ASP A 17 -1.883 3.344 -6.671 1.00 0.00 C ATOM 247 C ASP A 17 -3.064 3.736 -5.803 1.00 0.00 C ATOM 248 O ASP A 17 -3.430 4.896 -5.725 1.00 0.00 O ATOM 249 CB ASP A 17 -2.377 2.606 -7.925 1.00 0.00 C ATOM 250 CG ASP A 17 -3.213 3.482 -8.843 1.00 0.00 C ATOM 251 OD1 ASP A 17 -2.633 4.159 -9.712 1.00 0.00 O ATOM 252 OD2 ASP A 17 -4.459 3.482 -8.739 1.00 0.00 O ATOM 0 H ASP A 17 -0.829 1.574 -6.280 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.354 4.242 -6.989 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.518 2.227 -8.478 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.967 1.741 -7.621 1.00 0.00 H new ATOM 257 N ILE A 18 -3.599 2.778 -5.091 1.00 0.00 N ATOM 258 CA ILE A 18 -4.770 2.999 -4.257 1.00 0.00 C ATOM 259 C ILE A 18 -4.447 3.909 -3.058 1.00 0.00 C ATOM 260 O ILE A 18 -5.130 4.901 -2.840 1.00 0.00 O ATOM 261 CB ILE A 18 -5.365 1.673 -3.742 1.00 0.00 C ATOM 262 CG1 ILE A 18 -5.664 0.733 -4.906 1.00 0.00 C ATOM 263 CG2 ILE A 18 -6.640 1.945 -2.952 1.00 0.00 C ATOM 264 CD1 ILE A 18 -6.015 -0.674 -4.482 1.00 0.00 C ATOM 0 H ILE A 18 -3.242 1.823 -5.067 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.508 3.493 -4.890 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.635 1.196 -3.088 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.489 1.143 -5.489 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.796 0.698 -5.564 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -7.053 1.003 -2.592 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.411 2.589 -2.103 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.368 2.438 -3.595 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.214 -1.281 -5.365 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.183 -1.105 -3.926 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.902 -0.653 -3.849 1.00 0.00 H new ATOM 276 N ILE A 19 -3.406 3.577 -2.297 1.00 0.00 N ATOM 277 CA ILE A 19 -3.029 4.390 -1.121 1.00 0.00 C ATOM 278 C ILE A 19 -2.658 5.828 -1.515 1.00 0.00 C ATOM 279 O ILE A 19 -2.813 6.761 -0.715 1.00 0.00 O ATOM 280 CB ILE A 19 -1.852 3.776 -0.289 1.00 0.00 C ATOM 281 CG1 ILE A 19 -0.564 3.711 -1.130 1.00 0.00 C ATOM 282 CG2 ILE A 19 -2.226 2.397 0.251 1.00 0.00 C ATOM 283 CD1 ILE A 19 0.654 3.222 -0.386 1.00 0.00 C ATOM 0 H ILE A 19 -2.811 2.765 -2.462 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.919 4.397 -0.492 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.664 4.428 0.564 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.737 3.057 -1.984 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.355 4.705 -1.527 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.392 1.993 0.825 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.101 2.483 0.895 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.452 1.730 -0.581 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.511 3.210 -1.059 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.860 3.888 0.452 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.472 2.214 -0.013 1.00 0.00 H new ATOM 295 N ASN A 20 -2.167 5.998 -2.732 1.00 0.00 N ATOM 296 CA ASN A 20 -1.738 7.297 -3.214 1.00 0.00 C ATOM 297 C ASN A 20 -2.940 8.085 -3.760 1.00 0.00 C ATOM 298 O ASN A 20 -3.021 9.303 -3.594 1.00 0.00 O ATOM 299 CB ASN A 20 -0.658 7.104 -4.293 1.00 0.00 C ATOM 300 CG ASN A 20 0.202 8.328 -4.570 1.00 0.00 C ATOM 301 OD1 ASN A 20 -0.241 9.473 -4.474 1.00 0.00 O ATOM 302 ND2 ASN A 20 1.456 8.085 -4.895 1.00 0.00 N ATOM 0 H ASN A 20 -2.056 5.243 -3.409 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.312 7.874 -2.393 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.008 6.283 -3.992 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.143 6.802 -5.221 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.095 8.859 -5.077 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.787 7.123 -4.965 1.00 0.00 H new ATOM 309 N THR A 21 -3.880 7.391 -4.379 1.00 0.00 N ATOM 310 CA THR A 21 -5.068 8.037 -4.918 1.00 0.00 C ATOM 311 C THR A 21 -6.063 8.367 -3.809 1.00 0.00 C ATOM 312 O THR A 21 -6.621 9.477 -3.760 1.00 0.00 O ATOM 313 CB THR A 21 -5.767 7.157 -5.986 1.00 0.00 C ATOM 314 OG1 THR A 21 -5.980 5.840 -5.469 1.00 0.00 O ATOM 315 CG2 THR A 21 -4.939 7.045 -7.233 1.00 0.00 C ATOM 0 H THR A 21 -3.845 6.382 -4.521 1.00 0.00 H new ATOM 0 HA THR A 21 -4.735 8.960 -5.392 1.00 0.00 H new ATOM 0 HB THR A 21 -6.717 7.633 -6.230 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.179 5.296 -5.620 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.459 6.421 -7.960 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.780 8.038 -7.654 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.976 6.595 -6.991 1.00 0.00 H new ATOM 323 N GLY A 22 -6.261 7.411 -2.926 1.00 0.00 N ATOM 324 CA GLY A 22 -7.195 7.543 -1.848 1.00 0.00 C ATOM 325 C GLY A 22 -6.760 8.543 -0.807 1.00 0.00 C ATOM 326 O GLY A 22 -5.552 8.745 -0.565 1.00 0.00 O ATOM 0 H GLY A 22 -5.770 6.517 -2.944 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.163 7.843 -2.249 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.333 6.571 -1.374 1.00 0.00 H new ATOM 330 N SER A 23 -7.726 9.151 -0.197 1.00 0.00 N ATOM 331 CA SER A 23 -7.525 10.164 0.789 1.00 0.00 C ATOM 332 C SER A 23 -7.721 9.613 2.204 1.00 0.00 C ATOM 333 O SER A 23 -6.752 9.442 2.957 1.00 0.00 O ATOM 334 CB SER A 23 -8.514 11.281 0.520 1.00 0.00 C ATOM 335 OG SER A 23 -8.262 11.895 -0.749 1.00 0.00 O ATOM 0 H SER A 23 -8.709 8.949 -0.377 1.00 0.00 H new ATOM 0 HA SER A 23 -6.501 10.533 0.727 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.529 10.885 0.541 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.447 12.029 1.310 1.00 0.00 H new ATOM 0 HG SER A 23 -8.913 12.611 -0.901 1.00 0.00 H new ATOM 341 N ALA A 24 -8.964 9.337 2.552 1.00 0.00 N ATOM 342 CA ALA A 24 -9.314 8.813 3.861 1.00 0.00 C ATOM 343 C ALA A 24 -8.798 7.407 4.015 1.00 0.00 C ATOM 344 O ALA A 24 -9.030 6.562 3.145 1.00 0.00 O ATOM 345 CB ALA A 24 -10.818 8.840 4.071 1.00 0.00 C ATOM 0 H ALA A 24 -9.763 9.470 1.933 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.849 9.448 4.616 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -11.055 8.443 5.058 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.177 9.866 3.997 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.303 8.230 3.309 1.00 0.00 H new ATOM 351 N VAL A 25 -8.119 7.156 5.122 1.00 0.00 N ATOM 352 CA VAL A 25 -7.518 5.854 5.401 1.00 0.00 C ATOM 353 C VAL A 25 -8.555 4.744 5.324 1.00 0.00 C ATOM 354 O VAL A 25 -8.340 3.746 4.643 1.00 0.00 O ATOM 355 CB VAL A 25 -6.781 5.837 6.773 1.00 0.00 C ATOM 356 CG1 VAL A 25 -6.180 4.467 7.074 1.00 0.00 C ATOM 357 CG2 VAL A 25 -5.695 6.902 6.806 1.00 0.00 C ATOM 0 H VAL A 25 -7.966 7.848 5.856 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.770 5.672 4.629 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.520 6.055 7.544 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.674 4.496 8.039 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.973 3.720 7.102 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.462 4.206 6.296 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.190 6.877 7.772 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.972 6.709 6.013 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.144 7.884 6.657 1.00 0.00 H new ATOM 367 N ALA A 26 -9.696 4.964 5.965 1.00 0.00 N ATOM 368 CA ALA A 26 -10.807 4.011 5.962 1.00 0.00 C ATOM 369 C ALA A 26 -11.238 3.660 4.540 1.00 0.00 C ATOM 370 O ALA A 26 -11.497 2.485 4.221 1.00 0.00 O ATOM 371 CB ALA A 26 -11.981 4.586 6.728 1.00 0.00 C ATOM 0 H ALA A 26 -9.881 5.810 6.504 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.466 3.096 6.446 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.804 3.872 6.722 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.681 4.786 7.757 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.303 5.515 6.257 1.00 0.00 H new ATOM 377 N THR A 27 -11.241 4.660 3.688 1.00 0.00 N ATOM 378 CA THR A 27 -11.663 4.511 2.318 1.00 0.00 C ATOM 379 C THR A 27 -10.626 3.705 1.537 1.00 0.00 C ATOM 380 O THR A 27 -10.974 2.811 0.756 1.00 0.00 O ATOM 381 CB THR A 27 -11.867 5.904 1.687 1.00 0.00 C ATOM 382 OG1 THR A 27 -12.791 6.648 2.502 1.00 0.00 O ATOM 383 CG2 THR A 27 -12.420 5.807 0.271 1.00 0.00 C ATOM 0 H THR A 27 -10.948 5.606 3.931 1.00 0.00 H new ATOM 0 HA THR A 27 -12.609 3.971 2.284 1.00 0.00 H new ATOM 0 HB THR A 27 -10.899 6.403 1.636 1.00 0.00 H new ATOM 0 HG1 THR A 27 -13.052 7.469 2.035 1.00 0.00 H new ATOM 0 HG21 THR A 27 -12.550 6.809 -0.138 1.00 0.00 H new ATOM 0 HG22 THR A 27 -11.724 5.247 -0.354 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.383 5.296 0.291 1.00 0.00 H new ATOM 391 N ILE A 28 -9.364 3.981 1.803 1.00 0.00 N ATOM 392 CA ILE A 28 -8.274 3.297 1.158 1.00 0.00 C ATOM 393 C ILE A 28 -8.298 1.828 1.515 1.00 0.00 C ATOM 394 O ILE A 28 -8.228 0.985 0.631 1.00 0.00 O ATOM 395 CB ILE A 28 -6.928 3.916 1.564 1.00 0.00 C ATOM 396 CG1 ILE A 28 -6.901 5.379 1.166 1.00 0.00 C ATOM 397 CG2 ILE A 28 -5.773 3.173 0.913 1.00 0.00 C ATOM 398 CD1 ILE A 28 -5.739 6.137 1.726 1.00 0.00 C ATOM 0 H ILE A 28 -9.071 4.689 2.476 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.391 3.403 0.080 1.00 0.00 H new ATOM 0 HB ILE A 28 -6.817 3.833 2.645 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.878 5.449 0.079 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -7.825 5.853 1.497 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.830 3.629 1.215 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.788 2.129 1.227 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.871 3.227 -0.171 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.789 7.175 1.397 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.771 6.099 2.815 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.809 5.690 1.374 1.00 0.00 H new ATOM 410 N ILE A 29 -8.453 1.529 2.806 1.00 0.00 N ATOM 411 CA ILE A 29 -8.495 0.144 3.292 1.00 0.00 C ATOM 412 C ILE A 29 -9.560 -0.642 2.542 1.00 0.00 C ATOM 413 O ILE A 29 -9.315 -1.758 2.085 1.00 0.00 O ATOM 414 CB ILE A 29 -8.831 0.079 4.796 1.00 0.00 C ATOM 415 CG1 ILE A 29 -7.860 0.920 5.596 1.00 0.00 C ATOM 416 CG2 ILE A 29 -8.782 -1.368 5.286 1.00 0.00 C ATOM 417 CD1 ILE A 29 -8.310 1.141 7.005 1.00 0.00 C ATOM 0 H ILE A 29 -8.552 2.231 3.540 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.506 -0.283 3.124 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.837 0.473 4.938 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.885 0.433 5.603 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.731 1.885 5.105 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.021 -1.400 6.349 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.507 -1.964 4.733 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.783 -1.773 5.126 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.575 1.750 7.530 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.272 1.654 7.004 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -8.412 0.180 7.509 1.00 0.00 H new ATOM 429 N ALA A 30 -10.718 -0.019 2.367 1.00 0.00 N ATOM 430 CA ALA A 30 -11.842 -0.644 1.699 1.00 0.00 C ATOM 431 C ALA A 30 -11.488 -0.977 0.259 1.00 0.00 C ATOM 432 O ALA A 30 -11.791 -2.071 -0.236 1.00 0.00 O ATOM 433 CB ALA A 30 -13.054 0.270 1.752 1.00 0.00 C ATOM 0 H ALA A 30 -10.900 0.933 2.685 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.083 -1.574 2.215 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -13.893 -0.209 1.247 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -13.318 0.464 2.792 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.821 1.212 1.255 1.00 0.00 H new ATOM 439 N LEU A 31 -10.791 -0.066 -0.381 1.00 0.00 N ATOM 440 CA LEU A 31 -10.414 -0.229 -1.767 1.00 0.00 C ATOM 441 C LEU A 31 -9.296 -1.259 -1.921 1.00 0.00 C ATOM 442 O LEU A 31 -9.357 -2.130 -2.796 1.00 0.00 O ATOM 443 CB LEU A 31 -10.004 1.110 -2.372 1.00 0.00 C ATOM 444 CG LEU A 31 -11.086 2.198 -2.408 1.00 0.00 C ATOM 445 CD1 LEU A 31 -10.528 3.487 -2.987 1.00 0.00 C ATOM 446 CD2 LEU A 31 -12.295 1.736 -3.210 1.00 0.00 C ATOM 0 H LEU A 31 -10.471 0.805 0.042 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.283 -0.601 -2.309 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.152 1.493 -1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.661 0.934 -3.392 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.408 2.388 -1.384 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.310 4.246 -3.004 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.699 3.834 -2.370 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.175 3.307 -4.002 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -13.048 2.524 -3.221 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -11.990 1.512 -4.232 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.715 0.840 -2.752 1.00 0.00 H new ATOM 458 N VAL A 32 -8.298 -1.194 -1.052 1.00 0.00 N ATOM 459 CA VAL A 32 -7.182 -2.124 -1.133 1.00 0.00 C ATOM 460 C VAL A 32 -7.685 -3.542 -0.827 1.00 0.00 C ATOM 461 O VAL A 32 -7.324 -4.496 -1.510 1.00 0.00 O ATOM 462 CB VAL A 32 -5.997 -1.754 -0.186 1.00 0.00 C ATOM 463 CG1 VAL A 32 -4.774 -2.569 -0.524 1.00 0.00 C ATOM 464 CG2 VAL A 32 -5.641 -0.293 -0.280 1.00 0.00 C ATOM 0 H VAL A 32 -8.238 -0.516 -0.292 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.787 -2.068 -2.147 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.325 -1.973 0.830 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.959 -2.297 0.147 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.000 -3.629 -0.409 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.478 -2.371 -1.554 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.812 -0.076 0.394 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.349 -0.055 -1.303 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.504 0.311 0.001 1.00 0.00 H new ATOM 474 N THR A 33 -8.583 -3.651 0.149 1.00 0.00 N ATOM 475 CA THR A 33 -9.202 -4.924 0.506 1.00 0.00 C ATOM 476 C THR A 33 -10.035 -5.466 -0.677 1.00 0.00 C ATOM 477 O THR A 33 -10.062 -6.676 -0.941 1.00 0.00 O ATOM 478 CB THR A 33 -10.089 -4.758 1.772 1.00 0.00 C ATOM 479 OG1 THR A 33 -9.273 -4.307 2.865 1.00 0.00 O ATOM 480 CG2 THR A 33 -10.779 -6.057 2.162 1.00 0.00 C ATOM 0 H THR A 33 -8.901 -2.862 0.713 1.00 0.00 H new ATOM 0 HA THR A 33 -8.415 -5.644 0.731 1.00 0.00 H new ATOM 0 HB THR A 33 -10.864 -4.027 1.543 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.136 -3.339 2.794 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.387 -5.893 3.051 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.416 -6.391 1.343 1.00 0.00 H new ATOM 0 HG23 THR A 33 -10.028 -6.819 2.371 1.00 0.00 H new ATOM 488 N ALA A 34 -10.644 -4.557 -1.426 1.00 0.00 N ATOM 489 CA ALA A 34 -11.450 -4.921 -2.580 1.00 0.00 C ATOM 490 C ALA A 34 -10.578 -5.481 -3.702 1.00 0.00 C ATOM 491 O ALA A 34 -11.042 -6.265 -4.542 1.00 0.00 O ATOM 492 CB ALA A 34 -12.244 -3.726 -3.070 1.00 0.00 C ATOM 0 H ALA A 34 -10.593 -3.553 -1.251 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.148 -5.700 -2.274 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.842 -4.016 -3.934 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.902 -3.375 -2.275 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -11.560 -2.926 -3.354 1.00 0.00 H new ATOM 498 N VAL A 35 -9.319 -5.091 -3.710 1.00 0.00 N ATOM 499 CA VAL A 35 -8.396 -5.548 -4.723 1.00 0.00 C ATOM 500 C VAL A 35 -7.585 -6.770 -4.271 1.00 0.00 C ATOM 501 O VAL A 35 -7.554 -7.785 -4.970 1.00 0.00 O ATOM 502 CB VAL A 35 -7.450 -4.409 -5.185 1.00 0.00 C ATOM 503 CG1 VAL A 35 -6.421 -4.911 -6.197 1.00 0.00 C ATOM 504 CG2 VAL A 35 -8.260 -3.271 -5.789 1.00 0.00 C ATOM 0 H VAL A 35 -8.913 -4.456 -3.023 1.00 0.00 H new ATOM 0 HA VAL A 35 -9.004 -5.858 -5.573 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.911 -4.047 -4.310 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.775 -4.086 -6.499 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.818 -5.697 -5.743 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.935 -5.308 -7.072 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.587 -2.476 -6.110 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.822 -3.640 -6.647 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.952 -2.881 -5.043 1.00 0.00 H new ATOM 514 N VAL A 36 -6.964 -6.696 -3.107 1.00 0.00 N ATOM 515 CA VAL A 36 -6.059 -7.776 -2.671 1.00 0.00 C ATOM 516 C VAL A 36 -6.781 -8.911 -1.945 1.00 0.00 C ATOM 517 O VAL A 36 -6.221 -9.995 -1.768 1.00 0.00 O ATOM 518 CB VAL A 36 -4.876 -7.271 -1.798 1.00 0.00 C ATOM 519 CG1 VAL A 36 -4.063 -6.215 -2.534 1.00 0.00 C ATOM 520 CG2 VAL A 36 -5.356 -6.754 -0.447 1.00 0.00 C ATOM 0 H VAL A 36 -7.058 -5.922 -2.450 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.651 -8.171 -3.601 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.224 -8.123 -1.607 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.242 -5.880 -1.900 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.661 -6.641 -3.453 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.703 -5.367 -2.777 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.501 -6.410 0.135 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.049 -5.926 -0.599 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.862 -7.556 0.091 1.00 0.00 H new ATOM 551 N LEU A 40 -4.487 -8.281 4.625 1.00 0.00 N ATOM 552 CA LEU A 40 -3.127 -7.867 4.395 1.00 0.00 C ATOM 553 C LEU A 40 -2.950 -6.375 4.677 1.00 0.00 C ATOM 554 O LEU A 40 -2.422 -5.977 5.730 1.00 0.00 O ATOM 555 CB LEU A 40 -2.739 -8.207 2.957 1.00 0.00 C ATOM 556 CG LEU A 40 -2.770 -9.696 2.585 1.00 0.00 C ATOM 557 CD1 LEU A 40 -2.513 -9.879 1.103 1.00 0.00 C ATOM 558 CD2 LEU A 40 -1.745 -10.479 3.398 1.00 0.00 C ATOM 0 HA LEU A 40 -2.468 -8.401 5.080 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.409 -7.671 2.285 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.734 -7.828 2.774 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.762 -10.082 2.818 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.539 -10.941 0.858 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.281 -9.356 0.533 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.534 -9.472 0.851 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.785 -11.531 3.117 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.747 -10.088 3.199 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.969 -10.378 4.460 1.00 0.00 H new ATOM 570 N ILE A 41 -3.418 -5.550 3.777 1.00 0.00 N ATOM 571 CA ILE A 41 -3.278 -4.135 3.941 1.00 0.00 C ATOM 572 C ILE A 41 -4.383 -3.622 4.834 1.00 0.00 C ATOM 573 O ILE A 41 -5.523 -3.419 4.401 1.00 0.00 O ATOM 574 CB ILE A 41 -3.233 -3.322 2.600 1.00 0.00 C ATOM 575 CG1 ILE A 41 -2.085 -3.784 1.680 1.00 0.00 C ATOM 576 CG2 ILE A 41 -3.082 -1.833 2.886 1.00 0.00 C ATOM 577 CD1 ILE A 41 -2.338 -5.068 0.914 1.00 0.00 C ATOM 0 H ILE A 41 -3.899 -5.838 2.925 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.303 -3.976 4.402 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.175 -3.506 2.084 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.875 -2.990 0.964 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.188 -3.913 2.285 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.052 -1.283 1.945 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.928 -1.489 3.481 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.157 -1.660 3.437 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.469 -5.302 0.299 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.515 -5.882 1.617 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.212 -4.944 0.275 1.00 0.00 H new ATOM 589 N THR A 42 -4.045 -3.487 6.071 1.00 0.00 N ATOM 590 CA THR A 42 -4.932 -3.000 7.079 1.00 0.00 C ATOM 591 C THR A 42 -4.690 -1.506 7.275 1.00 0.00 C ATOM 592 O THR A 42 -3.869 -0.911 6.559 1.00 0.00 O ATOM 593 CB THR A 42 -4.604 -3.721 8.390 1.00 0.00 C ATOM 594 OG1 THR A 42 -3.195 -3.571 8.640 1.00 0.00 O ATOM 595 CG2 THR A 42 -4.945 -5.203 8.305 1.00 0.00 C ATOM 0 H THR A 42 -3.116 -3.719 6.422 1.00 0.00 H new ATOM 0 HA THR A 42 -5.968 -3.174 6.789 1.00 0.00 H new ATOM 0 HB THR A 42 -5.195 -3.286 9.196 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.961 -4.024 9.477 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.701 -5.687 9.251 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.009 -5.320 8.101 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.369 -5.663 7.502 1.00 0.00 H new ATOM 603 N ALA A 43 -5.370 -0.913 8.251 1.00 0.00 N ATOM 604 CA ALA A 43 -5.216 0.500 8.580 1.00 0.00 C ATOM 605 C ALA A 43 -3.774 0.809 8.920 1.00 0.00 C ATOM 606 O ALA A 43 -3.222 1.822 8.485 1.00 0.00 O ATOM 607 CB ALA A 43 -6.119 0.869 9.746 1.00 0.00 C ATOM 0 H ALA A 43 -6.046 -1.401 8.838 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.503 1.092 7.711 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.995 1.926 9.982 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.158 0.677 9.477 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.853 0.269 10.616 1.00 0.00 H new ATOM 613 N GLY A 44 -3.160 -0.107 9.652 1.00 0.00 N ATOM 614 CA GLY A 44 -1.786 0.036 10.043 1.00 0.00 C ATOM 615 C GLY A 44 -0.866 0.019 8.853 1.00 0.00 C ATOM 616 O GLY A 44 0.117 0.767 8.807 1.00 0.00 O ATOM 0 H GLY A 44 -3.606 -0.962 9.985 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.658 0.971 10.589 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.515 -0.771 10.724 1.00 0.00 H new ATOM 620 N ILE A 45 -1.203 -0.790 7.858 1.00 0.00 N ATOM 621 CA ILE A 45 -0.390 -0.889 6.678 1.00 0.00 C ATOM 622 C ILE A 45 -0.578 0.355 5.825 1.00 0.00 C ATOM 623 O ILE A 45 0.396 0.940 5.384 1.00 0.00 O ATOM 624 CB ILE A 45 -0.695 -2.173 5.859 1.00 0.00 C ATOM 625 CG1 ILE A 45 -0.467 -3.429 6.720 1.00 0.00 C ATOM 626 CG2 ILE A 45 0.164 -2.239 4.595 1.00 0.00 C ATOM 627 CD1 ILE A 45 0.952 -3.590 7.241 1.00 0.00 C ATOM 0 H ILE A 45 -2.034 -1.382 7.855 1.00 0.00 H new ATOM 0 HA ILE A 45 0.651 -0.960 6.992 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.742 -2.136 5.558 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.151 -3.401 7.569 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.726 -4.309 6.131 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.071 -3.148 4.042 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.042 -1.370 3.969 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.218 -2.245 4.872 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.020 -4.500 7.836 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.643 -3.654 6.401 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.212 -2.731 7.860 1.00 0.00 H new ATOM 639 N VAL A 46 -1.832 0.783 5.655 1.00 0.00 N ATOM 640 CA VAL A 46 -2.151 1.989 4.882 1.00 0.00 C ATOM 641 C VAL A 46 -1.428 3.204 5.471 1.00 0.00 C ATOM 642 O VAL A 46 -0.727 3.932 4.756 1.00 0.00 O ATOM 643 CB VAL A 46 -3.688 2.284 4.853 1.00 0.00 C ATOM 644 CG1 VAL A 46 -3.981 3.587 4.123 1.00 0.00 C ATOM 645 CG2 VAL A 46 -4.445 1.152 4.189 1.00 0.00 C ATOM 0 H VAL A 46 -2.648 0.310 6.044 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.816 1.806 3.861 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.021 2.375 5.887 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.056 3.767 4.118 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.477 4.410 4.631 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.620 3.518 3.097 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.510 1.382 4.182 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.093 1.031 3.165 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.277 0.228 4.742 1.00 0.00 H new ATOM 655 N ALA A 47 -1.579 3.391 6.779 1.00 0.00 N ATOM 656 CA ALA A 47 -0.968 4.508 7.488 1.00 0.00 C ATOM 657 C ALA A 47 0.547 4.489 7.337 1.00 0.00 C ATOM 658 O ALA A 47 1.169 5.524 7.062 1.00 0.00 O ATOM 659 CB ALA A 47 -1.357 4.479 8.958 1.00 0.00 C ATOM 0 H ALA A 47 -2.128 2.772 7.376 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.339 5.433 7.047 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.893 5.320 9.474 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.441 4.551 9.049 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.017 3.545 9.406 1.00 0.00 H new ATOM 665 N THR A 48 1.130 3.316 7.478 1.00 0.00 N ATOM 666 CA THR A 48 2.555 3.172 7.347 1.00 0.00 C ATOM 667 C THR A 48 3.005 3.423 5.906 1.00 0.00 C ATOM 668 O THR A 48 3.894 4.226 5.674 1.00 0.00 O ATOM 669 CB THR A 48 3.016 1.785 7.831 1.00 0.00 C ATOM 670 OG1 THR A 48 2.621 1.616 9.208 1.00 0.00 O ATOM 671 CG2 THR A 48 4.526 1.643 7.721 1.00 0.00 C ATOM 0 H THR A 48 0.632 2.450 7.684 1.00 0.00 H new ATOM 0 HA THR A 48 3.025 3.924 7.981 1.00 0.00 H new ATOM 0 HB THR A 48 2.553 1.023 7.204 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.737 1.195 9.245 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.825 0.654 8.069 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.828 1.768 6.681 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.009 2.405 8.333 1.00 0.00 H new ATOM 679 N ALA A 49 2.341 2.786 4.954 1.00 0.00 N ATOM 680 CA ALA A 49 2.683 2.895 3.542 1.00 0.00 C ATOM 681 C ALA A 49 2.614 4.336 3.049 1.00 0.00 C ATOM 682 O ALA A 49 3.519 4.800 2.361 1.00 0.00 O ATOM 683 CB ALA A 49 1.799 1.987 2.706 1.00 0.00 C ATOM 0 H ALA A 49 1.545 2.175 5.139 1.00 0.00 H new ATOM 0 HA ALA A 49 3.717 2.569 3.428 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.070 2.083 1.655 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.936 0.953 3.023 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.755 2.272 2.839 1.00 0.00 H new ATOM 689 N LYS A 50 1.566 5.057 3.442 1.00 0.00 N ATOM 690 CA LYS A 50 1.426 6.461 3.059 1.00 0.00 C ATOM 691 C LYS A 50 2.536 7.308 3.689 1.00 0.00 C ATOM 692 O LYS A 50 3.047 8.263 3.076 1.00 0.00 O ATOM 693 CB LYS A 50 0.043 7.011 3.429 1.00 0.00 C ATOM 694 CG LYS A 50 -1.109 6.368 2.665 1.00 0.00 C ATOM 695 CD LYS A 50 -2.473 6.887 3.127 1.00 0.00 C ATOM 696 CE LYS A 50 -2.702 8.369 2.809 1.00 0.00 C ATOM 697 NZ LYS A 50 -2.692 8.649 1.350 1.00 0.00 N ATOM 0 H LYS A 50 0.807 4.697 4.020 1.00 0.00 H new ATOM 0 HA LYS A 50 1.522 6.519 1.975 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.119 6.867 4.497 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.031 8.086 3.246 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.990 6.564 1.599 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.071 5.287 2.796 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.257 6.296 2.653 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.565 6.736 4.202 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.658 8.683 3.229 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.929 8.965 3.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.805 9.127 1.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.767 7.755 0.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.497 9.261 1.108 1.00 0.00 H new ATOM 711 N SER A 51 2.949 6.934 4.874 1.00 0.00 N ATOM 712 CA SER A 51 4.003 7.635 5.544 1.00 0.00 C ATOM 713 C SER A 51 5.361 7.309 4.898 1.00 0.00 C ATOM 714 O SER A 51 6.225 8.182 4.773 1.00 0.00 O ATOM 715 CB SER A 51 3.986 7.308 7.034 1.00 0.00 C ATOM 716 OG SER A 51 2.739 7.686 7.609 1.00 0.00 O ATOM 0 H SER A 51 2.566 6.143 5.392 1.00 0.00 H new ATOM 0 HA SER A 51 3.844 8.708 5.440 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.153 6.241 7.181 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.800 7.831 7.537 1.00 0.00 H new ATOM 0 HG SER A 51 2.088 6.964 7.483 1.00 0.00 H new ATOM 722 N LEU A 52 5.521 6.070 4.442 1.00 0.00 N ATOM 723 CA LEU A 52 6.734 5.638 3.780 1.00 0.00 C ATOM 724 C LEU A 52 6.868 6.316 2.429 1.00 0.00 C ATOM 725 O LEU A 52 7.954 6.711 2.053 1.00 0.00 O ATOM 726 CB LEU A 52 6.749 4.124 3.593 1.00 0.00 C ATOM 727 CG LEU A 52 6.623 3.282 4.857 1.00 0.00 C ATOM 728 CD1 LEU A 52 6.479 1.836 4.489 1.00 0.00 C ATOM 729 CD2 LEU A 52 7.816 3.471 5.774 1.00 0.00 C ATOM 0 H LEU A 52 4.810 5.343 4.524 1.00 0.00 H new ATOM 0 HA LEU A 52 7.576 5.919 4.412 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.934 3.855 2.921 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.678 3.851 3.092 1.00 0.00 H new ATOM 0 HG LEU A 52 5.735 3.612 5.397 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.389 1.237 5.395 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.587 1.703 3.877 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.356 1.514 3.927 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.691 2.855 6.665 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.726 3.175 5.253 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.889 4.519 6.065 1.00 0.00 H new ATOM 741 N ILE A 53 5.757 6.479 1.705 1.00 0.00 N ATOM 742 CA ILE A 53 5.810 7.139 0.400 1.00 0.00 C ATOM 743 C ILE A 53 6.064 8.630 0.560 1.00 0.00 C ATOM 744 O ILE A 53 6.583 9.270 -0.338 1.00 0.00 O ATOM 745 CB ILE A 53 4.553 6.898 -0.505 1.00 0.00 C ATOM 746 CG1 ILE A 53 3.305 7.566 0.073 1.00 0.00 C ATOM 747 CG2 ILE A 53 4.314 5.408 -0.685 1.00 0.00 C ATOM 748 CD1 ILE A 53 2.053 7.401 -0.774 1.00 0.00 C ATOM 0 H ILE A 53 4.829 6.170 1.993 1.00 0.00 H new ATOM 0 HA ILE A 53 6.645 6.672 -0.122 1.00 0.00 H new ATOM 0 HB ILE A 53 4.752 7.350 -1.476 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.114 7.155 1.065 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.504 8.630 0.201 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.438 5.254 -1.315 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.185 4.954 -1.157 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.147 4.946 0.288 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.217 7.905 -0.290 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.219 7.838 -1.758 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.824 6.341 -0.882 1.00 0.00 H new ATOM 760 N LYS A 54 5.713 9.168 1.721 1.00 0.00 N ATOM 761 CA LYS A 54 5.956 10.564 2.016 1.00 0.00 C ATOM 762 C LYS A 54 7.456 10.811 2.165 1.00 0.00 C ATOM 763 O LYS A 54 8.021 11.712 1.540 1.00 0.00 O ATOM 764 CB LYS A 54 5.200 10.984 3.295 1.00 0.00 C ATOM 765 CG LYS A 54 5.471 12.417 3.777 1.00 0.00 C ATOM 766 CD LYS A 54 5.043 13.492 2.775 1.00 0.00 C ATOM 767 CE LYS A 54 3.529 13.564 2.588 1.00 0.00 C ATOM 768 NZ LYS A 54 2.820 13.946 3.831 1.00 0.00 N ATOM 0 H LYS A 54 5.257 8.652 2.473 1.00 0.00 H new ATOM 0 HA LYS A 54 5.585 11.171 1.190 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.130 10.874 3.117 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.463 10.293 4.096 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.946 12.580 4.718 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.536 12.527 3.982 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.408 14.462 3.113 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.513 13.292 1.812 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.297 14.286 1.805 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.162 12.596 2.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.823 14.145 3.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.876 13.166 4.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.263 14.795 4.236 1.00 0.00 H new ATOM 782 N LYS A 55 8.099 9.985 2.946 1.00 0.00 N ATOM 783 CA LYS A 55 9.518 10.154 3.218 1.00 0.00 C ATOM 784 C LYS A 55 10.407 9.472 2.200 1.00 0.00 C ATOM 785 O LYS A 55 11.226 10.111 1.547 1.00 0.00 O ATOM 786 CB LYS A 55 9.878 9.715 4.653 1.00 0.00 C ATOM 787 CG LYS A 55 9.200 8.442 5.142 1.00 0.00 C ATOM 788 CD LYS A 55 9.544 8.136 6.595 1.00 0.00 C ATOM 789 CE LYS A 55 8.950 9.143 7.573 1.00 0.00 C ATOM 790 NZ LYS A 55 7.474 9.050 7.661 1.00 0.00 N ATOM 0 H LYS A 55 7.670 9.184 3.410 1.00 0.00 H new ATOM 0 HA LYS A 55 9.713 11.223 3.130 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.957 9.575 4.711 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.624 10.526 5.336 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.120 8.544 5.038 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.503 7.605 4.513 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.183 7.138 6.846 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.628 8.121 6.711 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.380 8.981 8.561 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.229 10.151 7.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.130 9.683 8.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.054 9.330 6.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.200 8.071 7.882 1.00 0.00 H new ATOM 804 N TYR A 56 10.222 8.204 2.044 1.00 0.00 N ATOM 805 CA TYR A 56 11.092 7.417 1.221 1.00 0.00 C ATOM 806 C TYR A 56 10.613 7.393 -0.219 1.00 0.00 C ATOM 807 O TYR A 56 11.413 7.549 -1.141 1.00 0.00 O ATOM 808 CB TYR A 56 11.186 6.011 1.795 1.00 0.00 C ATOM 809 CG TYR A 56 11.482 5.995 3.281 1.00 0.00 C ATOM 810 CD1 TYR A 56 12.486 6.784 3.830 1.00 0.00 C ATOM 811 CD2 TYR A 56 10.759 5.187 4.125 1.00 0.00 C ATOM 812 CE1 TYR A 56 12.754 6.756 5.178 1.00 0.00 C ATOM 813 CE2 TYR A 56 11.012 5.150 5.473 1.00 0.00 C ATOM 814 CZ TYR A 56 12.016 5.934 5.999 1.00 0.00 C ATOM 815 OH TYR A 56 12.276 5.899 7.350 1.00 0.00 O ATOM 0 H TYR A 56 9.465 7.679 2.482 1.00 0.00 H new ATOM 0 HA TYR A 56 12.085 7.867 1.218 1.00 0.00 H new ATOM 0 HB2 TYR A 56 10.248 5.487 1.612 1.00 0.00 H new ATOM 0 HB3 TYR A 56 11.967 5.462 1.269 1.00 0.00 H new ATOM 0 HD1 TYR A 56 13.065 7.430 3.187 1.00 0.00 H new ATOM 0 HD2 TYR A 56 9.974 4.567 3.718 1.00 0.00 H new ATOM 0 HE1 TYR A 56 13.538 7.374 5.590 1.00 0.00 H new ATOM 0 HE2 TYR A 56 10.428 4.510 6.118 1.00 0.00 H new ATOM 0 HH TYR A 56 11.665 5.268 7.785 1.00 0.00 H new ATOM 825 N GLY A 57 9.328 7.215 -0.413 1.00 0.00 N ATOM 826 CA GLY A 57 8.788 7.234 -1.756 1.00 0.00 C ATOM 827 C GLY A 57 7.961 6.004 -2.088 1.00 0.00 C ATOM 828 O GLY A 57 7.965 5.010 -1.339 1.00 0.00 O ATOM 0 H GLY A 57 8.644 7.058 0.327 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.170 8.123 -1.879 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.608 7.315 -2.469 1.00 0.00 H new ATOM 832 N ALA A 58 7.263 6.067 -3.211 1.00 0.00 N ATOM 833 CA ALA A 58 6.373 5.000 -3.670 1.00 0.00 C ATOM 834 C ALA A 58 7.136 3.736 -4.065 1.00 0.00 C ATOM 835 O ALA A 58 6.636 2.617 -3.893 1.00 0.00 O ATOM 836 CB ALA A 58 5.488 5.496 -4.816 1.00 0.00 C ATOM 0 H ALA A 58 7.296 6.869 -3.841 1.00 0.00 H new ATOM 0 HA ALA A 58 5.733 4.726 -2.831 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.833 4.690 -5.145 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.885 6.336 -4.472 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.115 5.816 -5.648 1.00 0.00 H new ATOM 842 N LYS A 59 8.346 3.903 -4.566 1.00 0.00 N ATOM 843 CA LYS A 59 9.180 2.762 -4.955 1.00 0.00 C ATOM 844 C LYS A 59 9.635 2.006 -3.705 1.00 0.00 C ATOM 845 O LYS A 59 9.746 0.759 -3.704 1.00 0.00 O ATOM 846 CB LYS A 59 10.397 3.222 -5.780 1.00 0.00 C ATOM 847 CG LYS A 59 11.341 2.101 -6.200 1.00 0.00 C ATOM 848 CD LYS A 59 12.558 2.641 -6.931 1.00 0.00 C ATOM 849 CE LYS A 59 13.540 1.528 -7.260 1.00 0.00 C ATOM 850 NZ LYS A 59 14.745 2.031 -7.945 1.00 0.00 N ATOM 0 H LYS A 59 8.780 4.814 -4.716 1.00 0.00 H new ATOM 0 HA LYS A 59 8.587 2.095 -5.581 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.041 3.733 -6.674 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.958 3.953 -5.198 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.662 1.545 -5.319 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.810 1.399 -6.844 1.00 0.00 H new ATOM 0 HD2 LYS A 59 12.244 3.136 -7.850 1.00 0.00 H new ATOM 0 HD3 LYS A 59 13.051 3.394 -6.316 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.832 1.021 -6.341 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.049 0.787 -7.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.385 1.237 -8.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.471 2.493 -8.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 15.230 2.719 -7.334 1.00 0.00 H new ATOM 864 N TYR A 60 9.838 2.750 -2.630 1.00 0.00 N ATOM 865 CA TYR A 60 10.262 2.177 -1.383 1.00 0.00 C ATOM 866 C TYR A 60 9.155 1.330 -0.838 1.00 0.00 C ATOM 867 O TYR A 60 9.352 0.156 -0.527 1.00 0.00 O ATOM 868 CB TYR A 60 10.630 3.270 -0.363 1.00 0.00 C ATOM 869 CG TYR A 60 10.939 2.724 1.025 1.00 0.00 C ATOM 870 CD1 TYR A 60 9.922 2.499 1.944 1.00 0.00 C ATOM 871 CD2 TYR A 60 12.227 2.405 1.392 1.00 0.00 C ATOM 872 CE1 TYR A 60 10.177 1.971 3.180 1.00 0.00 C ATOM 873 CE2 TYR A 60 12.501 1.881 2.640 1.00 0.00 C ATOM 874 CZ TYR A 60 11.468 1.662 3.529 1.00 0.00 C ATOM 875 OH TYR A 60 11.733 1.133 4.771 1.00 0.00 O ATOM 0 H TYR A 60 9.712 3.762 -2.607 1.00 0.00 H new ATOM 0 HA TYR A 60 11.150 1.571 -1.560 1.00 0.00 H new ATOM 0 HB2 TYR A 60 11.496 3.821 -0.729 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.807 3.981 -0.291 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.905 2.747 1.676 1.00 0.00 H new ATOM 0 HD2 TYR A 60 13.035 2.567 0.694 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.369 1.799 3.876 1.00 0.00 H new ATOM 0 HE2 TYR A 60 13.517 1.644 2.919 1.00 0.00 H new ATOM 0 HH TYR A 60 12.695 0.970 4.859 1.00 0.00 H new ATOM 885 N ALA A 61 7.982 1.927 -0.752 1.00 0.00 N ATOM 886 CA ALA A 61 6.836 1.268 -0.195 1.00 0.00 C ATOM 887 C ALA A 61 6.457 0.049 -0.990 1.00 0.00 C ATOM 888 O ALA A 61 6.040 -0.919 -0.425 1.00 0.00 O ATOM 889 CB ALA A 61 5.682 2.206 -0.090 1.00 0.00 C ATOM 0 H ALA A 61 7.806 2.881 -1.068 1.00 0.00 H new ATOM 0 HA ALA A 61 7.105 0.938 0.808 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.825 1.683 0.335 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.951 3.044 0.553 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.424 2.578 -1.082 1.00 0.00 H new ATOM 895 N ALA A 62 6.632 0.101 -2.303 1.00 0.00 N ATOM 896 CA ALA A 62 6.349 -1.044 -3.162 1.00 0.00 C ATOM 897 C ALA A 62 7.192 -2.249 -2.745 1.00 0.00 C ATOM 898 O ALA A 62 6.684 -3.368 -2.621 1.00 0.00 O ATOM 899 CB ALA A 62 6.608 -0.696 -4.613 1.00 0.00 C ATOM 0 H ALA A 62 6.970 0.926 -2.799 1.00 0.00 H new ATOM 0 HA ALA A 62 5.296 -1.304 -3.051 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.392 -1.562 -5.239 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.967 0.135 -4.908 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.652 -0.410 -4.738 1.00 0.00 H new ATOM 905 N ALA A 63 8.473 -2.003 -2.490 1.00 0.00 N ATOM 906 CA ALA A 63 9.369 -3.057 -2.046 1.00 0.00 C ATOM 907 C ALA A 63 8.985 -3.513 -0.646 1.00 0.00 C ATOM 908 O ALA A 63 8.917 -4.718 -0.374 1.00 0.00 O ATOM 909 CB ALA A 63 10.814 -2.588 -2.075 1.00 0.00 C ATOM 0 H ALA A 63 8.910 -1.086 -2.584 1.00 0.00 H new ATOM 0 HA ALA A 63 9.275 -3.901 -2.730 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.465 -3.395 -1.738 1.00 0.00 H new ATOM 0 HB2 ALA A 63 11.084 -2.304 -3.092 1.00 0.00 H new ATOM 0 HB3 ALA A 63 10.931 -1.728 -1.415 1.00 0.00 H new ATOM 915 N TRP A 64 8.697 -2.542 0.215 1.00 0.00 N ATOM 916 CA TRP A 64 8.303 -2.783 1.600 1.00 0.00 C ATOM 917 C TRP A 64 7.020 -3.622 1.673 1.00 0.00 C ATOM 918 O TRP A 64 6.963 -4.621 2.410 1.00 0.00 O ATOM 919 CB TRP A 64 8.114 -1.436 2.334 1.00 0.00 C ATOM 920 CG TRP A 64 7.694 -1.565 3.770 1.00 0.00 C ATOM 921 CD1 TRP A 64 8.510 -1.653 4.847 1.00 0.00 C ATOM 922 CD2 TRP A 64 6.350 -1.605 4.283 1.00 0.00 C ATOM 923 NE1 TRP A 64 7.773 -1.763 5.993 1.00 0.00 N ATOM 924 CE2 TRP A 64 6.444 -1.730 5.678 1.00 0.00 C ATOM 925 CE3 TRP A 64 5.083 -1.550 3.698 1.00 0.00 C ATOM 926 CZ2 TRP A 64 5.322 -1.801 6.499 1.00 0.00 C ATOM 927 CZ3 TRP A 64 3.974 -1.618 4.513 1.00 0.00 C ATOM 928 CH2 TRP A 64 4.097 -1.741 5.894 1.00 0.00 C ATOM 0 H TRP A 64 8.731 -1.553 -0.032 1.00 0.00 H new ATOM 0 HA TRP A 64 9.096 -3.347 2.091 1.00 0.00 H new ATOM 0 HB2 TRP A 64 9.049 -0.878 2.291 1.00 0.00 H new ATOM 0 HB3 TRP A 64 7.367 -0.848 1.801 1.00 0.00 H new ATOM 0 HD1 TRP A 64 9.589 -1.638 4.806 1.00 0.00 H new ATOM 0 HE1 TRP A 64 8.155 -1.855 6.934 1.00 0.00 H new ATOM 0 HE3 TRP A 64 4.975 -1.456 2.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 5.415 -1.899 7.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 2.989 -1.575 4.071 1.00 0.00 H new ATOM 0 HH2 TRP A 64 3.205 -1.790 6.501 1.00 0.00 H new