USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, 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 Set 1.1: A 2 THR OG1 : rot 88:sc= 0.264 USER MOD Set 1.2: A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 1 LEU N :NH3+ -119:sc= 1.48 (180deg=-0.831) USER MOD Single : A 4 ASN : amide:sc= 0.91 K(o=0.91,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0.0942 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0156) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.0308 X(o=-0.031,f=-0.48!) USER MOD Single : A 21 THR OG1 : rot -85:sc= 0.675 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -170:sc= -1.35 USER MOD Single : A 33 THR OG1 : rot 78:sc= 1.26 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.346 USER MOD Single : A 48 THR OG1 : rot 98:sc= 1.25 USER MOD Single : A 50 LYS NZ :NH3+ 154:sc= 0.699 (180deg=0.106) USER MOD Single : A 51 SER OG : rot 90:sc= 1.23 USER MOD Single : A 54 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.107) USER MOD Single : A 55 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+ 168:sc=-0.00513 (180deg=-0.163) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 6.050 -3.323 0.903 1.00 0.00 N ATOM 2 CA LEU A 1 4.804 -4.070 0.894 1.00 0.00 C ATOM 3 C LEU A 1 5.065 -5.515 0.514 1.00 0.00 C ATOM 4 O LEU A 1 4.704 -6.437 1.240 1.00 0.00 O ATOM 5 CB LEU A 1 3.811 -3.454 -0.097 1.00 0.00 C ATOM 6 CG LEU A 1 3.211 -2.094 0.259 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.422 -1.566 -0.915 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.305 -2.207 1.466 1.00 0.00 C ATOM 0 H1 LEU A 1 6.224 -2.949 1.858 1.00 0.00 H new ATOM 0 H3 LEU A 1 5.987 -2.534 0.228 1.00 0.00 H new ATOM 0 HA LEU A 1 4.375 -4.029 1.895 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.312 -3.359 -1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 1 2.990 -4.159 -0.233 1.00 0.00 H new ATOM 0 HG LEU A 1 4.024 -1.408 0.497 1.00 0.00 H new ATOM 0 HD11 LEU A 1 1.995 -0.596 -0.660 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.081 -1.457 -1.777 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.620 -2.263 -1.158 1.00 0.00 H new ATOM 0 HD21 LEU A 1 1.889 -1.227 1.702 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.495 -2.903 1.249 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.878 -2.572 2.318 1.00 0.00 H new ATOM 20 N THR A 2 5.745 -5.697 -0.590 1.00 0.00 N ATOM 21 CA THR A 2 6.080 -7.004 -1.102 1.00 0.00 C ATOM 22 C THR A 2 6.864 -7.821 -0.073 1.00 0.00 C ATOM 23 O THR A 2 6.512 -8.981 0.196 1.00 0.00 O ATOM 24 CB THR A 2 6.878 -6.856 -2.427 1.00 0.00 C ATOM 25 OG1 THR A 2 6.042 -6.321 -3.463 1.00 0.00 O ATOM 26 CG2 THR A 2 7.534 -8.150 -2.883 1.00 0.00 C ATOM 0 H THR A 2 6.087 -4.930 -1.168 1.00 0.00 H new ATOM 0 HA THR A 2 5.157 -7.547 -1.305 1.00 0.00 H new ATOM 0 HB THR A 2 7.689 -6.157 -2.221 1.00 0.00 H new ATOM 0 HG1 THR A 2 6.073 -5.342 -3.436 1.00 0.00 H new ATOM 0 HG21 THR A 2 8.074 -7.976 -3.813 1.00 0.00 H new ATOM 0 HG22 THR A 2 8.230 -8.494 -2.118 1.00 0.00 H new ATOM 0 HG23 THR A 2 6.768 -8.909 -3.045 1.00 0.00 H new ATOM 34 N ALA A 3 7.850 -7.189 0.526 1.00 0.00 N ATOM 35 CA ALA A 3 8.745 -7.828 1.480 1.00 0.00 C ATOM 36 C ALA A 3 8.052 -8.188 2.799 1.00 0.00 C ATOM 37 O ALA A 3 8.308 -9.240 3.382 1.00 0.00 O ATOM 38 CB ALA A 3 9.928 -6.917 1.746 1.00 0.00 C ATOM 0 H ALA A 3 8.059 -6.204 0.365 1.00 0.00 H new ATOM 0 HA ALA A 3 9.079 -8.766 1.036 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.600 -7.393 2.460 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.461 -6.732 0.814 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.574 -5.971 2.156 1.00 0.00 H new ATOM 44 N ASN A 4 7.180 -7.336 3.261 1.00 0.00 N ATOM 45 CA ASN A 4 6.542 -7.542 4.562 1.00 0.00 C ATOM 46 C ASN A 4 5.284 -8.352 4.481 1.00 0.00 C ATOM 47 O ASN A 4 4.977 -9.111 5.389 1.00 0.00 O ATOM 48 CB ASN A 4 6.286 -6.218 5.284 1.00 0.00 C ATOM 49 CG ASN A 4 7.554 -5.609 5.834 1.00 0.00 C ATOM 50 OD1 ASN A 4 7.918 -5.838 6.985 1.00 0.00 O ATOM 51 ND2 ASN A 4 8.243 -4.854 5.028 1.00 0.00 N ATOM 0 H ASN A 4 6.886 -6.492 2.770 1.00 0.00 H new ATOM 0 HA ASN A 4 7.254 -8.123 5.149 1.00 0.00 H new ATOM 0 HB2 ASN A 4 5.818 -5.516 4.594 1.00 0.00 H new ATOM 0 HB3 ASN A 4 5.581 -6.382 6.099 1.00 0.00 H new ATOM 0 HD21 ASN A 4 9.115 -4.431 5.346 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.911 -4.685 4.078 1.00 0.00 H new ATOM 58 N LEU A 5 4.558 -8.206 3.414 1.00 0.00 N ATOM 59 CA LEU A 5 3.307 -8.917 3.276 1.00 0.00 C ATOM 60 C LEU A 5 3.519 -10.220 2.549 1.00 0.00 C ATOM 61 O LEU A 5 2.763 -11.167 2.736 1.00 0.00 O ATOM 62 CB LEU A 5 2.347 -8.072 2.485 1.00 0.00 C ATOM 63 CG LEU A 5 2.107 -6.676 3.014 1.00 0.00 C ATOM 64 CD1 LEU A 5 1.464 -5.860 1.940 1.00 0.00 C ATOM 65 CD2 LEU A 5 1.230 -6.707 4.260 1.00 0.00 C ATOM 0 H LEU A 5 4.802 -7.606 2.626 1.00 0.00 H new ATOM 0 HA LEU A 5 2.907 -9.123 4.269 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.718 -7.994 1.463 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.390 -8.591 2.437 1.00 0.00 H new ATOM 0 HG LEU A 5 3.060 -6.229 3.296 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.285 -4.850 2.308 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.122 -5.818 1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.516 -6.316 1.655 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.073 -5.690 4.620 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.268 -7.158 4.017 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.721 -7.295 5.036 1.00 0.00 H new ATOM 77 N GLY A 6 4.540 -10.265 1.712 1.00 0.00 N ATOM 78 CA GLY A 6 4.814 -11.472 0.976 1.00 0.00 C ATOM 79 C GLY A 6 3.946 -11.524 -0.239 1.00 0.00 C ATOM 80 O GLY A 6 3.442 -12.587 -0.630 1.00 0.00 O ATOM 0 H GLY A 6 5.179 -9.491 1.531 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.864 -11.503 0.687 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.630 -12.343 1.605 1.00 0.00 H new ATOM 84 N ILE A 7 3.762 -10.374 -0.833 1.00 0.00 N ATOM 85 CA ILE A 7 2.889 -10.246 -1.969 1.00 0.00 C ATOM 86 C ILE A 7 3.706 -9.925 -3.180 1.00 0.00 C ATOM 87 O ILE A 7 4.897 -9.657 -3.059 1.00 0.00 O ATOM 88 CB ILE A 7 1.819 -9.140 -1.773 1.00 0.00 C ATOM 89 CG1 ILE A 7 2.473 -7.758 -1.605 1.00 0.00 C ATOM 90 CG2 ILE A 7 0.929 -9.467 -0.580 1.00 0.00 C ATOM 91 CD1 ILE A 7 1.487 -6.617 -1.570 1.00 0.00 C ATOM 0 H ILE A 7 4.211 -9.504 -0.545 1.00 0.00 H new ATOM 0 HA ILE A 7 2.365 -11.194 -2.089 1.00 0.00 H new ATOM 0 HB ILE A 7 1.198 -9.106 -2.668 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.055 -7.751 -0.683 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.173 -7.596 -2.425 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.184 -8.681 -0.456 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.427 -10.420 -0.751 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.539 -9.534 0.321 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.024 -5.676 -1.449 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.922 -6.596 -2.502 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.802 -6.754 -0.733 1.00 0.00 H new ATOM 103 N SER A 8 3.097 -9.931 -4.318 1.00 0.00 N ATOM 104 CA SER A 8 3.782 -9.643 -5.534 1.00 0.00 C ATOM 105 C SER A 8 3.990 -8.138 -5.694 1.00 0.00 C ATOM 106 O SER A 8 3.365 -7.324 -4.986 1.00 0.00 O ATOM 107 CB SER A 8 2.981 -10.205 -6.693 1.00 0.00 C ATOM 108 OG SER A 8 1.644 -9.716 -6.676 1.00 0.00 O ATOM 0 H SER A 8 2.105 -10.137 -4.432 1.00 0.00 H new ATOM 0 HA SER A 8 4.767 -10.109 -5.516 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.459 -9.934 -7.635 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.974 -11.294 -6.641 1.00 0.00 H new ATOM 0 HG SER A 8 1.149 -10.091 -7.434 1.00 0.00 H new ATOM 114 N SER A 9 4.849 -7.766 -6.608 1.00 0.00 N ATOM 115 CA SER A 9 5.105 -6.386 -6.896 1.00 0.00 C ATOM 116 C SER A 9 3.924 -5.795 -7.658 1.00 0.00 C ATOM 117 O SER A 9 3.701 -4.590 -7.632 1.00 0.00 O ATOM 118 CB SER A 9 6.404 -6.242 -7.687 1.00 0.00 C ATOM 119 OG SER A 9 7.512 -6.769 -6.945 1.00 0.00 O ATOM 0 H SER A 9 5.391 -8.419 -7.174 1.00 0.00 H new ATOM 0 HA SER A 9 5.223 -5.836 -5.962 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.316 -6.766 -8.639 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.581 -5.191 -7.917 1.00 0.00 H new ATOM 0 HG SER A 9 8.334 -6.669 -7.469 1.00 0.00 H new ATOM 125 N TYR A 10 3.170 -6.659 -8.327 1.00 0.00 N ATOM 126 CA TYR A 10 1.965 -6.255 -9.023 1.00 0.00 C ATOM 127 C TYR A 10 0.949 -5.777 -7.991 1.00 0.00 C ATOM 128 O TYR A 10 0.461 -4.648 -8.066 1.00 0.00 O ATOM 129 CB TYR A 10 1.388 -7.442 -9.812 1.00 0.00 C ATOM 130 CG TYR A 10 0.236 -7.096 -10.758 1.00 0.00 C ATOM 131 CD1 TYR A 10 -1.042 -6.809 -10.278 1.00 0.00 C ATOM 132 CD2 TYR A 10 0.429 -7.085 -12.133 1.00 0.00 C ATOM 133 CE1 TYR A 10 -2.080 -6.522 -11.137 1.00 0.00 C ATOM 134 CE2 TYR A 10 -0.611 -6.793 -12.999 1.00 0.00 C ATOM 135 CZ TYR A 10 -1.862 -6.513 -12.492 1.00 0.00 C ATOM 136 OH TYR A 10 -2.911 -6.230 -13.353 1.00 0.00 O ATOM 0 H TYR A 10 3.380 -7.655 -8.399 1.00 0.00 H new ATOM 0 HA TYR A 10 2.193 -5.452 -9.724 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.191 -7.896 -10.393 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.042 -8.195 -9.104 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.221 -6.812 -9.213 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.407 -7.308 -12.534 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -3.063 -6.305 -10.745 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.443 -6.785 -14.066 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.592 -6.262 -14.279 1.00 0.00 H new ATOM 146 N ALA A 11 0.668 -6.638 -7.009 1.00 0.00 N ATOM 147 CA ALA A 11 -0.284 -6.327 -5.946 1.00 0.00 C ATOM 148 C ALA A 11 0.186 -5.138 -5.147 1.00 0.00 C ATOM 149 O ALA A 11 -0.606 -4.278 -4.804 1.00 0.00 O ATOM 150 CB ALA A 11 -0.505 -7.534 -5.047 1.00 0.00 C ATOM 0 H ALA A 11 1.092 -7.563 -6.931 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.239 -6.073 -6.405 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.218 -7.278 -4.263 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.898 -8.361 -5.638 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.442 -7.829 -4.595 1.00 0.00 H new ATOM 156 N ALA A 12 1.483 -5.074 -4.892 1.00 0.00 N ATOM 157 CA ALA A 12 2.066 -3.952 -4.176 1.00 0.00 C ATOM 158 C ALA A 12 1.840 -2.656 -4.939 1.00 0.00 C ATOM 159 O ALA A 12 1.437 -1.659 -4.364 1.00 0.00 O ATOM 160 CB ALA A 12 3.547 -4.173 -3.946 1.00 0.00 C ATOM 0 H ALA A 12 2.154 -5.789 -5.172 1.00 0.00 H new ATOM 0 HA ALA A 12 1.574 -3.876 -3.206 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.963 -3.321 -3.408 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.693 -5.079 -3.358 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.053 -4.278 -4.906 1.00 0.00 H new ATOM 166 N LYS A 13 2.051 -2.705 -6.247 1.00 0.00 N ATOM 167 CA LYS A 13 1.891 -1.546 -7.119 1.00 0.00 C ATOM 168 C LYS A 13 0.433 -1.097 -7.115 1.00 0.00 C ATOM 169 O LYS A 13 0.134 0.111 -7.155 1.00 0.00 O ATOM 170 CB LYS A 13 2.332 -1.913 -8.535 1.00 0.00 C ATOM 171 CG LYS A 13 2.572 -0.749 -9.484 1.00 0.00 C ATOM 172 CD LYS A 13 3.668 0.172 -8.963 1.00 0.00 C ATOM 173 CE LYS A 13 4.141 1.156 -10.024 1.00 0.00 C ATOM 174 NZ LYS A 13 3.052 1.987 -10.584 1.00 0.00 N ATOM 0 H LYS A 13 2.339 -3.552 -6.737 1.00 0.00 H new ATOM 0 HA LYS A 13 2.509 -0.725 -6.757 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.251 -2.496 -8.468 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.574 -2.562 -8.973 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.850 -1.130 -10.467 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.649 -0.184 -9.611 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.298 0.722 -8.098 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.513 -0.427 -8.622 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.900 1.808 -9.591 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.619 0.604 -10.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.453 2.691 -11.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.382 1.380 -11.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.555 2.475 -9.811 1.00 0.00 H new ATOM 188 N LYS A 14 -0.462 -2.078 -7.070 1.00 0.00 N ATOM 189 CA LYS A 14 -1.885 -1.838 -6.946 1.00 0.00 C ATOM 190 C LYS A 14 -2.174 -1.083 -5.666 1.00 0.00 C ATOM 191 O LYS A 14 -2.827 -0.034 -5.696 1.00 0.00 O ATOM 192 CB LYS A 14 -2.660 -3.154 -6.968 1.00 0.00 C ATOM 193 CG LYS A 14 -2.642 -3.947 -8.284 1.00 0.00 C ATOM 194 CD LYS A 14 -3.486 -3.299 -9.388 1.00 0.00 C ATOM 195 CE LYS A 14 -2.742 -2.224 -10.179 1.00 0.00 C ATOM 196 NZ LYS A 14 -3.659 -1.435 -11.021 1.00 0.00 N ATOM 0 H LYS A 14 -0.213 -3.066 -7.119 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.209 -1.236 -7.795 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.264 -3.795 -6.180 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.698 -2.941 -6.714 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.613 -4.042 -8.630 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.010 -4.956 -8.098 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.826 -4.074 -10.075 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.376 -2.857 -8.940 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.219 -1.561 -9.490 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.984 -2.693 -10.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.119 -0.716 -11.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.139 -2.064 -11.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.367 -0.968 -10.420 1.00 0.00 H new ATOM 210 N VAL A 15 -1.671 -1.608 -4.553 1.00 0.00 N ATOM 211 CA VAL A 15 -1.815 -0.965 -3.241 1.00 0.00 C ATOM 212 C VAL A 15 -1.290 0.471 -3.288 1.00 0.00 C ATOM 213 O VAL A 15 -1.971 1.396 -2.839 1.00 0.00 O ATOM 214 CB VAL A 15 -1.056 -1.733 -2.125 1.00 0.00 C ATOM 215 CG1 VAL A 15 -1.252 -1.068 -0.767 1.00 0.00 C ATOM 216 CG2 VAL A 15 -1.485 -3.184 -2.072 1.00 0.00 C ATOM 0 H VAL A 15 -1.154 -2.487 -4.529 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.879 -0.972 -3.006 1.00 0.00 H new ATOM 0 HB VAL A 15 0.006 -1.700 -2.369 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.709 -1.628 -0.006 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.874 -0.046 -0.804 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.313 -1.054 -0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.937 -3.697 -1.281 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.554 -3.240 -1.868 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.273 -3.661 -3.029 1.00 0.00 H new ATOM 226 N ILE A 16 -0.096 0.640 -3.866 1.00 0.00 N ATOM 227 CA ILE A 16 0.555 1.949 -4.003 1.00 0.00 C ATOM 228 C ILE A 16 -0.355 2.955 -4.693 1.00 0.00 C ATOM 229 O ILE A 16 -0.493 4.086 -4.237 1.00 0.00 O ATOM 230 CB ILE A 16 1.906 1.849 -4.782 1.00 0.00 C ATOM 231 CG1 ILE A 16 2.915 0.993 -4.016 1.00 0.00 C ATOM 232 CG2 ILE A 16 2.498 3.231 -5.074 1.00 0.00 C ATOM 233 CD1 ILE A 16 3.271 1.526 -2.646 1.00 0.00 C ATOM 0 H ILE A 16 0.449 -0.130 -4.254 1.00 0.00 H new ATOM 0 HA ILE A 16 0.763 2.296 -2.991 1.00 0.00 H new ATOM 0 HB ILE A 16 1.691 1.369 -5.737 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.511 -0.014 -3.908 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.826 0.909 -4.608 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.436 3.118 -5.617 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.797 3.807 -5.678 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.683 3.753 -4.135 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.991 0.859 -2.172 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.707 2.520 -2.744 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.372 1.583 -2.033 1.00 0.00 H new ATOM 245 N ASP A 17 -0.996 2.531 -5.759 1.00 0.00 N ATOM 246 CA ASP A 17 -1.878 3.419 -6.508 1.00 0.00 C ATOM 247 C ASP A 17 -3.069 3.826 -5.668 1.00 0.00 C ATOM 248 O ASP A 17 -3.444 4.988 -5.629 1.00 0.00 O ATOM 249 CB ASP A 17 -2.350 2.779 -7.816 1.00 0.00 C ATOM 250 CG ASP A 17 -3.297 3.676 -8.596 1.00 0.00 C ATOM 251 OD1 ASP A 17 -2.837 4.681 -9.186 1.00 0.00 O ATOM 252 OD2 ASP A 17 -4.514 3.387 -8.642 1.00 0.00 O ATOM 0 H ASP A 17 -0.929 1.584 -6.131 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.302 4.309 -6.760 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.484 2.545 -8.435 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.848 1.835 -7.595 1.00 0.00 H new ATOM 257 N ILE A 18 -3.605 2.889 -4.936 1.00 0.00 N ATOM 258 CA ILE A 18 -4.790 3.137 -4.138 1.00 0.00 C ATOM 259 C ILE A 18 -4.465 4.030 -2.931 1.00 0.00 C ATOM 260 O ILE A 18 -5.148 5.019 -2.686 1.00 0.00 O ATOM 261 CB ILE A 18 -5.425 1.825 -3.651 1.00 0.00 C ATOM 262 CG1 ILE A 18 -5.692 0.896 -4.834 1.00 0.00 C ATOM 263 CG2 ILE A 18 -6.725 2.130 -2.922 1.00 0.00 C ATOM 264 CD1 ILE A 18 -6.089 -0.507 -4.439 1.00 0.00 C ATOM 0 H ILE A 18 -3.242 1.938 -4.871 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.505 3.652 -4.779 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.737 1.327 -2.968 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.483 1.326 -5.449 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.797 0.848 -5.454 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -7.175 1.199 -2.577 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.520 2.773 -2.066 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.412 2.636 -3.600 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.261 -1.103 -5.336 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.291 -0.959 -3.850 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -7.003 -0.473 -3.846 1.00 0.00 H new ATOM 276 N ILE A 19 -3.421 3.685 -2.191 1.00 0.00 N ATOM 277 CA ILE A 19 -3.012 4.489 -1.024 1.00 0.00 C ATOM 278 C ILE A 19 -2.618 5.919 -1.443 1.00 0.00 C ATOM 279 O ILE A 19 -2.792 6.872 -0.686 1.00 0.00 O ATOM 280 CB ILE A 19 -1.836 3.845 -0.203 1.00 0.00 C ATOM 281 CG1 ILE A 19 -0.560 3.752 -1.052 1.00 0.00 C ATOM 282 CG2 ILE A 19 -2.235 2.470 0.328 1.00 0.00 C ATOM 283 CD1 ILE A 19 0.654 3.242 -0.315 1.00 0.00 C ATOM 0 H ILE A 19 -2.840 2.865 -2.366 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.886 4.521 -0.373 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.627 4.491 0.650 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.753 3.098 -1.902 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.335 4.740 -1.454 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.406 2.043 0.893 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.104 2.569 0.978 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.480 1.814 -0.508 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.506 3.211 -0.995 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.879 3.907 0.519 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.455 2.239 0.064 1.00 0.00 H new ATOM 295 N ASN A 20 -2.099 6.054 -2.655 1.00 0.00 N ATOM 296 CA ASN A 20 -1.671 7.341 -3.167 1.00 0.00 C ATOM 297 C ASN A 20 -2.883 8.152 -3.639 1.00 0.00 C ATOM 298 O ASN A 20 -2.946 9.363 -3.434 1.00 0.00 O ATOM 299 CB ASN A 20 -0.664 7.129 -4.317 1.00 0.00 C ATOM 300 CG ASN A 20 0.129 8.372 -4.723 1.00 0.00 C ATOM 301 OD1 ASN A 20 -0.346 9.505 -4.645 1.00 0.00 O ATOM 302 ND2 ASN A 20 1.354 8.157 -5.156 1.00 0.00 N ATOM 0 H ASN A 20 -1.965 5.279 -3.304 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.179 7.904 -2.373 1.00 0.00 H new ATOM 0 HB2 ASN A 20 0.038 6.348 -4.025 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.204 6.761 -5.189 1.00 0.00 H new ATOM 0 HD21 ASN A 20 1.940 8.942 -5.439 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.717 7.205 -5.208 1.00 0.00 H new ATOM 309 N THR A 21 -3.850 7.487 -4.233 1.00 0.00 N ATOM 310 CA THR A 21 -5.036 8.161 -4.726 1.00 0.00 C ATOM 311 C THR A 21 -5.996 8.518 -3.589 1.00 0.00 C ATOM 312 O THR A 21 -6.475 9.660 -3.494 1.00 0.00 O ATOM 313 CB THR A 21 -5.776 7.310 -5.789 1.00 0.00 C ATOM 314 OG1 THR A 21 -5.983 5.983 -5.294 1.00 0.00 O ATOM 315 CG2 THR A 21 -4.983 7.218 -7.062 1.00 0.00 C ATOM 0 H THR A 21 -3.840 6.479 -4.387 1.00 0.00 H new ATOM 0 HA THR A 21 -4.696 9.084 -5.196 1.00 0.00 H new ATOM 0 HB THR A 21 -6.730 7.797 -5.993 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.184 5.442 -5.465 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.528 6.615 -7.788 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.826 8.218 -7.466 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.018 6.754 -6.857 1.00 0.00 H new ATOM 323 N GLY A 22 -6.241 7.556 -2.718 1.00 0.00 N ATOM 324 CA GLY A 22 -7.179 7.721 -1.640 1.00 0.00 C ATOM 325 C GLY A 22 -6.687 8.638 -0.542 1.00 0.00 C ATOM 326 O GLY A 22 -5.484 8.675 -0.220 1.00 0.00 O ATOM 0 H GLY A 22 -5.791 6.641 -2.744 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.113 8.116 -2.040 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.403 6.744 -1.212 1.00 0.00 H new ATOM 330 N SER A 23 -7.599 9.360 0.035 1.00 0.00 N ATOM 331 CA SER A 23 -7.303 10.280 1.092 1.00 0.00 C ATOM 332 C SER A 23 -7.489 9.622 2.453 1.00 0.00 C ATOM 333 O SER A 23 -6.504 9.291 3.138 1.00 0.00 O ATOM 334 CB SER A 23 -8.203 11.495 0.968 1.00 0.00 C ATOM 335 OG SER A 23 -7.958 12.206 -0.244 1.00 0.00 O ATOM 0 H SER A 23 -8.586 9.326 -0.219 1.00 0.00 H new ATOM 0 HA SER A 23 -6.261 10.589 1.009 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.246 11.181 1.002 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.041 12.157 1.819 1.00 0.00 H new ATOM 0 HG SER A 23 -8.555 12.982 -0.294 1.00 0.00 H new ATOM 341 N ALA A 24 -8.737 9.413 2.830 1.00 0.00 N ATOM 342 CA ALA A 24 -9.064 8.813 4.111 1.00 0.00 C ATOM 343 C ALA A 24 -8.642 7.362 4.142 1.00 0.00 C ATOM 344 O ALA A 24 -8.874 6.620 3.180 1.00 0.00 O ATOM 345 CB ALA A 24 -10.545 8.936 4.415 1.00 0.00 C ATOM 0 H ALA A 24 -9.549 9.653 2.261 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.515 9.355 4.881 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.758 8.477 5.381 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.824 9.989 4.444 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.119 8.430 3.639 1.00 0.00 H new ATOM 351 N VAL A 25 -8.038 6.965 5.243 1.00 0.00 N ATOM 352 CA VAL A 25 -7.523 5.615 5.432 1.00 0.00 C ATOM 353 C VAL A 25 -8.621 4.578 5.238 1.00 0.00 C ATOM 354 O VAL A 25 -8.439 3.619 4.503 1.00 0.00 O ATOM 355 CB VAL A 25 -6.853 5.450 6.828 1.00 0.00 C ATOM 356 CG1 VAL A 25 -6.353 4.030 7.043 1.00 0.00 C ATOM 357 CG2 VAL A 25 -5.699 6.429 6.981 1.00 0.00 C ATOM 0 H VAL A 25 -7.886 7.576 6.046 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.758 5.449 4.673 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.611 5.662 7.582 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.891 3.952 8.027 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.191 3.336 6.979 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.618 3.783 6.277 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.241 6.301 7.962 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.956 6.240 6.206 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.072 7.449 6.885 1.00 0.00 H new ATOM 367 N ALA A 26 -9.770 4.821 5.844 1.00 0.00 N ATOM 368 CA ALA A 26 -10.924 3.923 5.734 1.00 0.00 C ATOM 369 C ALA A 26 -11.379 3.763 4.287 1.00 0.00 C ATOM 370 O ALA A 26 -11.816 2.678 3.874 1.00 0.00 O ATOM 371 CB ALA A 26 -12.068 4.424 6.586 1.00 0.00 C ATOM 0 H ALA A 26 -9.937 5.642 6.426 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.611 2.944 6.096 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.916 3.745 6.492 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.753 4.469 7.628 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.361 5.419 6.252 1.00 0.00 H new ATOM 377 N THR A 27 -11.240 4.823 3.513 1.00 0.00 N ATOM 378 CA THR A 27 -11.633 4.805 2.128 1.00 0.00 C ATOM 379 C THR A 27 -10.670 3.902 1.358 1.00 0.00 C ATOM 380 O THR A 27 -11.077 3.048 0.560 1.00 0.00 O ATOM 381 CB THR A 27 -11.591 6.239 1.553 1.00 0.00 C ATOM 382 OG1 THR A 27 -12.334 7.104 2.424 1.00 0.00 O ATOM 383 CG2 THR A 27 -12.202 6.282 0.158 1.00 0.00 C ATOM 0 H THR A 27 -10.854 5.712 3.830 1.00 0.00 H new ATOM 0 HA THR A 27 -12.650 4.423 2.034 1.00 0.00 H new ATOM 0 HB THR A 27 -10.553 6.565 1.483 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.450 7.978 1.996 1.00 0.00 H new ATOM 0 HG21 THR A 27 -12.161 7.301 -0.226 1.00 0.00 H new ATOM 0 HG22 THR A 27 -11.642 5.622 -0.505 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.240 5.953 0.205 1.00 0.00 H new ATOM 391 N ILE A 28 -9.407 4.048 1.680 1.00 0.00 N ATOM 392 CA ILE A 28 -8.350 3.305 1.064 1.00 0.00 C ATOM 393 C ILE A 28 -8.462 1.839 1.410 1.00 0.00 C ATOM 394 O ILE A 28 -8.440 1.012 0.517 1.00 0.00 O ATOM 395 CB ILE A 28 -6.989 3.864 1.502 1.00 0.00 C ATOM 396 CG1 ILE A 28 -6.894 5.323 1.102 1.00 0.00 C ATOM 397 CG2 ILE A 28 -5.847 3.075 0.886 1.00 0.00 C ATOM 398 CD1 ILE A 28 -5.730 6.046 1.702 1.00 0.00 C ATOM 0 H ILE A 28 -9.086 4.702 2.393 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.435 3.405 -0.018 1.00 0.00 H new ATOM 0 HB ILE A 28 -6.907 3.775 2.585 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.827 5.387 0.016 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -7.813 5.830 1.396 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.896 3.494 1.215 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.913 2.034 1.201 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.912 3.130 -0.201 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.734 7.083 1.367 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.804 6.016 2.789 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.803 5.567 1.388 1.00 0.00 H new ATOM 410 N ILE A 29 -8.638 1.527 2.698 1.00 0.00 N ATOM 411 CA ILE A 29 -8.756 0.136 3.159 1.00 0.00 C ATOM 412 C ILE A 29 -9.826 -0.598 2.373 1.00 0.00 C ATOM 413 O ILE A 29 -9.595 -1.707 1.895 1.00 0.00 O ATOM 414 CB ILE A 29 -9.120 0.062 4.661 1.00 0.00 C ATOM 415 CG1 ILE A 29 -8.059 0.740 5.502 1.00 0.00 C ATOM 416 CG2 ILE A 29 -9.293 -1.395 5.114 1.00 0.00 C ATOM 417 CD1 ILE A 29 -8.489 0.947 6.919 1.00 0.00 C ATOM 0 H ILE A 29 -8.702 2.220 3.444 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.784 -0.332 3.002 1.00 0.00 H new ATOM 0 HB ILE A 29 -10.067 0.583 4.799 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.150 0.138 5.487 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.811 1.704 5.058 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.548 -1.419 6.173 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.091 -1.863 4.538 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.362 -1.939 4.953 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.689 1.437 7.474 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.381 1.573 6.941 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -8.711 -0.017 7.376 1.00 0.00 H new ATOM 429 N ALA A 30 -10.962 0.051 2.186 1.00 0.00 N ATOM 430 CA ALA A 30 -12.080 -0.551 1.494 1.00 0.00 C ATOM 431 C ALA A 30 -11.724 -0.859 0.049 1.00 0.00 C ATOM 432 O ALA A 30 -12.076 -1.923 -0.485 1.00 0.00 O ATOM 433 CB ALA A 30 -13.301 0.349 1.568 1.00 0.00 C ATOM 0 H ALA A 30 -11.132 1.004 2.508 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.318 -1.493 1.989 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -14.132 -0.121 1.042 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -13.575 0.506 2.611 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -13.074 1.309 1.104 1.00 0.00 H new ATOM 439 N LEU A 31 -10.985 0.044 -0.562 1.00 0.00 N ATOM 440 CA LEU A 31 -10.589 -0.115 -1.943 1.00 0.00 C ATOM 441 C LEU A 31 -9.488 -1.172 -2.084 1.00 0.00 C ATOM 442 O LEU A 31 -9.575 -2.065 -2.937 1.00 0.00 O ATOM 443 CB LEU A 31 -10.135 1.225 -2.514 1.00 0.00 C ATOM 444 CG LEU A 31 -11.190 2.339 -2.541 1.00 0.00 C ATOM 445 CD1 LEU A 31 -10.574 3.641 -3.012 1.00 0.00 C ATOM 446 CD2 LEU A 31 -12.364 1.957 -3.434 1.00 0.00 C ATOM 0 H LEU A 31 -10.646 0.899 -0.120 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.452 -0.462 -2.512 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.282 1.574 -1.933 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.782 1.062 -3.532 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.563 2.475 -1.526 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.336 4.420 -3.025 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.771 3.930 -2.334 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.171 3.511 -4.016 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -13.097 2.763 -3.436 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.008 1.788 -4.450 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.828 1.046 -3.056 1.00 0.00 H new ATOM 458 N VAL A 32 -8.485 -1.107 -1.221 1.00 0.00 N ATOM 459 CA VAL A 32 -7.370 -2.038 -1.295 1.00 0.00 C ATOM 460 C VAL A 32 -7.857 -3.452 -0.982 1.00 0.00 C ATOM 461 O VAL A 32 -7.467 -4.409 -1.648 1.00 0.00 O ATOM 462 CB VAL A 32 -6.188 -1.671 -0.349 1.00 0.00 C ATOM 463 CG1 VAL A 32 -4.966 -2.468 -0.696 1.00 0.00 C ATOM 464 CG2 VAL A 32 -5.843 -0.214 -0.409 1.00 0.00 C ATOM 0 H VAL A 32 -8.420 -0.424 -0.466 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.985 -1.979 -2.313 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.518 -1.907 0.663 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.152 -2.197 -0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.183 -3.531 -0.592 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.673 -2.256 -1.724 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.014 -0.008 0.268 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.555 0.050 -1.427 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.709 0.377 -0.112 1.00 0.00 H new ATOM 474 N THR A 33 -8.755 -3.569 -0.018 1.00 0.00 N ATOM 475 CA THR A 33 -9.330 -4.853 0.344 1.00 0.00 C ATOM 476 C THR A 33 -10.160 -5.418 -0.829 1.00 0.00 C ATOM 477 O THR A 33 -10.160 -6.630 -1.088 1.00 0.00 O ATOM 478 CB THR A 33 -10.196 -4.727 1.624 1.00 0.00 C ATOM 479 OG1 THR A 33 -9.387 -4.223 2.699 1.00 0.00 O ATOM 480 CG2 THR A 33 -10.779 -6.061 2.031 1.00 0.00 C ATOM 0 H THR A 33 -9.103 -2.783 0.531 1.00 0.00 H new ATOM 0 HA THR A 33 -8.518 -5.548 0.557 1.00 0.00 H new ATOM 0 HB THR A 33 -11.017 -4.043 1.410 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.267 -3.256 2.592 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.380 -5.936 2.932 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.406 -6.445 1.226 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.971 -6.766 2.229 1.00 0.00 H new ATOM 488 N ALA A 34 -10.793 -4.530 -1.581 1.00 0.00 N ATOM 489 CA ALA A 34 -11.589 -4.925 -2.733 1.00 0.00 C ATOM 490 C ALA A 34 -10.693 -5.416 -3.868 1.00 0.00 C ATOM 491 O ALA A 34 -11.141 -6.146 -4.751 1.00 0.00 O ATOM 492 CB ALA A 34 -12.461 -3.771 -3.209 1.00 0.00 C ATOM 0 H ALA A 34 -10.770 -3.524 -1.412 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.239 -5.745 -2.427 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -13.047 -4.089 -4.071 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -13.132 -3.467 -2.406 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -11.828 -2.929 -3.491 1.00 0.00 H new ATOM 498 N VAL A 35 -9.437 -5.007 -3.850 1.00 0.00 N ATOM 499 CA VAL A 35 -8.490 -5.428 -4.866 1.00 0.00 C ATOM 500 C VAL A 35 -7.683 -6.652 -4.423 1.00 0.00 C ATOM 501 O VAL A 35 -7.668 -7.673 -5.112 1.00 0.00 O ATOM 502 CB VAL A 35 -7.529 -4.273 -5.269 1.00 0.00 C ATOM 503 CG1 VAL A 35 -6.459 -4.747 -6.263 1.00 0.00 C ATOM 504 CG2 VAL A 35 -8.321 -3.119 -5.868 1.00 0.00 C ATOM 0 H VAL A 35 -9.049 -4.383 -3.142 1.00 0.00 H new ATOM 0 HA VAL A 35 -9.079 -5.707 -5.740 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.020 -3.935 -4.367 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.807 -3.913 -6.521 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.868 -5.543 -5.809 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.942 -5.123 -7.165 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.639 -2.316 -6.147 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.855 -3.465 -6.753 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.037 -2.749 -5.134 1.00 0.00 H new ATOM 514 N VAL A 36 -7.056 -6.579 -3.262 1.00 0.00 N ATOM 515 CA VAL A 36 -6.149 -7.658 -2.848 1.00 0.00 C ATOM 516 C VAL A 36 -6.876 -8.799 -2.145 1.00 0.00 C ATOM 517 O VAL A 36 -6.464 -9.954 -2.242 1.00 0.00 O ATOM 518 CB VAL A 36 -4.952 -7.161 -1.966 1.00 0.00 C ATOM 519 CG1 VAL A 36 -4.139 -6.104 -2.698 1.00 0.00 C ATOM 520 CG2 VAL A 36 -5.406 -6.648 -0.593 1.00 0.00 C ATOM 0 H VAL A 36 -7.147 -5.810 -2.598 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.733 -8.039 -3.781 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.314 -8.026 -1.785 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.315 -5.776 -2.065 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.742 -6.525 -3.621 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.777 -5.252 -2.933 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.538 -6.316 -0.023 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.094 -5.813 -0.726 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.909 -7.450 -0.053 1.00 0.00 H new ATOM 551 N LEU A 40 -4.434 -8.133 4.525 1.00 0.00 N ATOM 552 CA LEU A 40 -3.105 -7.685 4.222 1.00 0.00 C ATOM 553 C LEU A 40 -2.968 -6.206 4.534 1.00 0.00 C ATOM 554 O LEU A 40 -2.335 -5.804 5.527 1.00 0.00 O ATOM 555 CB LEU A 40 -2.808 -7.942 2.742 1.00 0.00 C ATOM 556 CG LEU A 40 -2.838 -9.405 2.286 1.00 0.00 C ATOM 557 CD1 LEU A 40 -2.673 -9.491 0.780 1.00 0.00 C ATOM 558 CD2 LEU A 40 -1.745 -10.210 2.983 1.00 0.00 C ATOM 0 HA LEU A 40 -2.390 -8.235 4.834 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.530 -7.383 2.146 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.823 -7.533 2.515 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.805 -9.829 2.559 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.696 -10.536 0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.485 -8.950 0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.719 -9.049 0.493 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.784 -11.246 2.645 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.770 -9.786 2.741 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.899 -10.174 4.062 1.00 0.00 H new ATOM 570 N ILE A 41 -3.601 -5.403 3.730 1.00 0.00 N ATOM 571 CA ILE A 41 -3.497 -3.997 3.877 1.00 0.00 C ATOM 572 C ILE A 41 -4.567 -3.525 4.811 1.00 0.00 C ATOM 573 O ILE A 41 -5.726 -3.331 4.422 1.00 0.00 O ATOM 574 CB ILE A 41 -3.613 -3.245 2.538 1.00 0.00 C ATOM 575 CG1 ILE A 41 -2.705 -3.892 1.472 1.00 0.00 C ATOM 576 CG2 ILE A 41 -3.235 -1.775 2.746 1.00 0.00 C ATOM 577 CD1 ILE A 41 -1.246 -3.883 1.807 1.00 0.00 C ATOM 0 H ILE A 41 -4.198 -5.710 2.962 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.506 -3.781 4.277 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.642 -3.304 2.183 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.023 -4.923 1.320 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.850 -3.371 0.526 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.316 -1.241 1.799 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.909 -1.326 3.475 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.210 -1.711 3.112 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.685 -4.358 1.002 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.907 -2.854 1.928 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.082 -4.431 2.735 1.00 0.00 H new ATOM 589 N THR A 42 -4.197 -3.422 6.030 1.00 0.00 N ATOM 590 CA THR A 42 -5.063 -2.951 7.055 1.00 0.00 C ATOM 591 C THR A 42 -4.811 -1.463 7.262 1.00 0.00 C ATOM 592 O THR A 42 -3.982 -0.868 6.543 1.00 0.00 O ATOM 593 CB THR A 42 -4.722 -3.702 8.343 1.00 0.00 C ATOM 594 OG1 THR A 42 -3.305 -3.596 8.557 1.00 0.00 O ATOM 595 CG2 THR A 42 -5.114 -5.170 8.237 1.00 0.00 C ATOM 0 H THR A 42 -3.262 -3.667 6.357 1.00 0.00 H new ATOM 0 HA THR A 42 -6.107 -3.113 6.786 1.00 0.00 H new ATOM 0 HB THR A 42 -5.274 -3.266 9.176 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.062 -4.069 9.380 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.861 -5.682 9.165 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.187 -5.248 8.060 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.575 -5.632 7.410 1.00 0.00 H new ATOM 603 N ALA A 43 -5.498 -0.865 8.233 1.00 0.00 N ATOM 604 CA ALA A 43 -5.329 0.552 8.567 1.00 0.00 C ATOM 605 C ALA A 43 -3.878 0.850 8.882 1.00 0.00 C ATOM 606 O ALA A 43 -3.329 1.868 8.450 1.00 0.00 O ATOM 607 CB ALA A 43 -6.213 0.931 9.751 1.00 0.00 C ATOM 0 H ALA A 43 -6.187 -1.346 8.811 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.629 1.147 7.704 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.075 1.987 9.985 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.258 0.749 9.498 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.939 0.328 10.617 1.00 0.00 H new ATOM 613 N GLY A 44 -3.257 -0.079 9.587 1.00 0.00 N ATOM 614 CA GLY A 44 -1.880 0.041 9.951 1.00 0.00 C ATOM 615 C GLY A 44 -0.973 0.023 8.756 1.00 0.00 C ATOM 616 O GLY A 44 0.008 0.765 8.707 1.00 0.00 O ATOM 0 H GLY A 44 -3.705 -0.934 9.917 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.732 0.969 10.503 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.611 -0.775 10.621 1.00 0.00 H new ATOM 620 N ILE A 45 -1.310 -0.775 7.759 1.00 0.00 N ATOM 621 CA ILE A 45 -0.474 -0.873 6.604 1.00 0.00 C ATOM 622 C ILE A 45 -0.659 0.351 5.726 1.00 0.00 C ATOM 623 O ILE A 45 0.317 0.910 5.259 1.00 0.00 O ATOM 624 CB ILE A 45 -0.710 -2.180 5.809 1.00 0.00 C ATOM 625 CG1 ILE A 45 -0.477 -3.406 6.710 1.00 0.00 C ATOM 626 CG2 ILE A 45 0.209 -2.245 4.595 1.00 0.00 C ATOM 627 CD1 ILE A 45 0.929 -3.515 7.288 1.00 0.00 C ATOM 0 H ILE A 45 -2.150 -1.354 7.736 1.00 0.00 H new ATOM 0 HA ILE A 45 0.560 -0.910 6.946 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.744 -2.186 5.464 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.192 -3.376 7.532 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.690 -4.308 6.135 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.027 -3.171 4.050 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.010 -1.395 3.942 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.248 -2.215 4.923 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.999 -4.408 7.909 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.652 -3.580 6.475 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.143 -2.635 7.894 1.00 0.00 H new ATOM 639 N VAL A 46 -1.911 0.795 5.555 1.00 0.00 N ATOM 640 CA VAL A 46 -2.200 2.003 4.772 1.00 0.00 C ATOM 641 C VAL A 46 -1.447 3.191 5.364 1.00 0.00 C ATOM 642 O VAL A 46 -0.703 3.886 4.664 1.00 0.00 O ATOM 643 CB VAL A 46 -3.719 2.359 4.757 1.00 0.00 C ATOM 644 CG1 VAL A 46 -3.964 3.670 4.003 1.00 0.00 C ATOM 645 CG2 VAL A 46 -4.539 1.245 4.138 1.00 0.00 C ATOM 0 H VAL A 46 -2.735 0.339 5.946 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.882 1.797 3.750 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.036 2.484 5.792 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.030 3.898 4.006 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.419 4.478 4.491 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.617 3.568 2.975 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.593 1.523 4.142 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.212 1.079 3.112 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.403 0.330 4.714 1.00 0.00 H new ATOM 655 N ALA A 47 -1.614 3.381 6.666 1.00 0.00 N ATOM 656 CA ALA A 47 -0.998 4.482 7.376 1.00 0.00 C ATOM 657 C ALA A 47 0.522 4.428 7.270 1.00 0.00 C ATOM 658 O ALA A 47 1.168 5.440 6.954 1.00 0.00 O ATOM 659 CB ALA A 47 -1.444 4.491 8.824 1.00 0.00 C ATOM 0 H ALA A 47 -2.182 2.773 7.256 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.324 5.412 6.910 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.972 5.324 9.345 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.527 4.600 8.870 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.153 3.555 9.300 1.00 0.00 H new ATOM 665 N THR A 48 1.087 3.250 7.488 1.00 0.00 N ATOM 666 CA THR A 48 2.520 3.064 7.392 1.00 0.00 C ATOM 667 C THR A 48 3.012 3.307 5.954 1.00 0.00 C ATOM 668 O THR A 48 3.946 4.079 5.741 1.00 0.00 O ATOM 669 CB THR A 48 2.943 1.651 7.873 1.00 0.00 C ATOM 670 OG1 THR A 48 2.535 1.460 9.243 1.00 0.00 O ATOM 671 CG2 THR A 48 4.452 1.466 7.769 1.00 0.00 C ATOM 0 H THR A 48 0.568 2.407 7.734 1.00 0.00 H new ATOM 0 HA THR A 48 2.987 3.798 8.048 1.00 0.00 H new ATOM 0 HB THR A 48 2.456 0.915 7.233 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.687 0.969 9.266 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.721 0.467 8.113 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.763 1.589 6.732 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.953 2.210 8.388 1.00 0.00 H new ATOM 679 N ALA A 49 2.343 2.698 4.986 1.00 0.00 N ATOM 680 CA ALA A 49 2.721 2.801 3.585 1.00 0.00 C ATOM 681 C ALA A 49 2.668 4.239 3.092 1.00 0.00 C ATOM 682 O ALA A 49 3.590 4.697 2.421 1.00 0.00 O ATOM 683 CB ALA A 49 1.858 1.894 2.723 1.00 0.00 C ATOM 0 H ALA A 49 1.521 2.117 5.151 1.00 0.00 H new ATOM 0 HA ALA A 49 3.755 2.468 3.499 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.160 1.989 1.680 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.983 0.860 3.044 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.812 2.182 2.826 1.00 0.00 H new ATOM 689 N LYS A 50 1.622 4.973 3.471 1.00 0.00 N ATOM 690 CA LYS A 50 1.512 6.368 3.068 1.00 0.00 C ATOM 691 C LYS A 50 2.607 7.216 3.708 1.00 0.00 C ATOM 692 O LYS A 50 3.088 8.183 3.117 1.00 0.00 O ATOM 693 CB LYS A 50 0.120 6.953 3.338 1.00 0.00 C ATOM 694 CG LYS A 50 -0.984 6.281 2.531 1.00 0.00 C ATOM 695 CD LYS A 50 -2.333 6.984 2.667 1.00 0.00 C ATOM 696 CE LYS A 50 -2.298 8.391 2.075 1.00 0.00 C ATOM 697 NZ LYS A 50 -3.638 9.025 2.035 1.00 0.00 N ATOM 0 H LYS A 50 0.853 4.630 4.046 1.00 0.00 H new ATOM 0 HA LYS A 50 1.654 6.394 1.988 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.107 6.858 4.400 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.131 8.019 3.109 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.696 6.259 1.480 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.085 5.246 2.856 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.102 6.397 2.165 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.611 7.039 3.720 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.623 9.012 2.664 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.891 8.346 1.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.533 10.059 2.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.128 8.746 1.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.193 8.715 2.858 1.00 0.00 H new ATOM 711 N SER A 51 3.040 6.817 4.883 1.00 0.00 N ATOM 712 CA SER A 51 4.106 7.504 5.555 1.00 0.00 C ATOM 713 C SER A 51 5.432 7.211 4.845 1.00 0.00 C ATOM 714 O SER A 51 6.254 8.101 4.658 1.00 0.00 O ATOM 715 CB SER A 51 4.161 7.076 7.019 1.00 0.00 C ATOM 716 OG SER A 51 2.912 7.319 7.666 1.00 0.00 O ATOM 0 H SER A 51 2.664 6.016 5.390 1.00 0.00 H new ATOM 0 HA SER A 51 3.927 8.579 5.524 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.409 6.017 7.084 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.953 7.621 7.532 1.00 0.00 H new ATOM 0 HG SER A 51 2.337 6.530 7.575 1.00 0.00 H new ATOM 722 N LEU A 52 5.598 5.973 4.399 1.00 0.00 N ATOM 723 CA LEU A 52 6.802 5.553 3.708 1.00 0.00 C ATOM 724 C LEU A 52 6.913 6.235 2.356 1.00 0.00 C ATOM 725 O LEU A 52 7.999 6.616 1.945 1.00 0.00 O ATOM 726 CB LEU A 52 6.827 4.038 3.531 1.00 0.00 C ATOM 727 CG LEU A 52 6.735 3.218 4.809 1.00 0.00 C ATOM 728 CD1 LEU A 52 6.576 1.767 4.473 1.00 0.00 C ATOM 729 CD2 LEU A 52 7.959 3.423 5.678 1.00 0.00 C ATOM 0 H LEU A 52 4.901 5.236 4.507 1.00 0.00 H new ATOM 0 HA LEU A 52 7.656 5.846 4.319 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.000 3.754 2.880 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.748 3.767 3.014 1.00 0.00 H new ATOM 0 HG LEU A 52 5.863 3.555 5.370 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.511 1.186 5.393 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.666 1.626 3.889 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.435 1.432 3.892 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.866 2.825 6.585 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.850 3.115 5.130 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.043 4.476 5.945 1.00 0.00 H new ATOM 741 N ILE A 53 5.790 6.424 1.673 1.00 0.00 N ATOM 742 CA ILE A 53 5.826 7.085 0.377 1.00 0.00 C ATOM 743 C ILE A 53 6.056 8.584 0.545 1.00 0.00 C ATOM 744 O ILE A 53 6.561 9.245 -0.354 1.00 0.00 O ATOM 745 CB ILE A 53 4.563 6.823 -0.514 1.00 0.00 C ATOM 746 CG1 ILE A 53 3.315 7.490 0.065 1.00 0.00 C ATOM 747 CG2 ILE A 53 4.334 5.326 -0.663 1.00 0.00 C ATOM 748 CD1 ILE A 53 2.055 7.289 -0.764 1.00 0.00 C ATOM 0 H ILE A 53 4.863 6.136 1.987 1.00 0.00 H new ATOM 0 HA ILE A 53 6.665 6.639 -0.157 1.00 0.00 H new ATOM 0 HB ILE A 53 4.749 7.262 -1.494 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.142 7.101 1.068 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.503 8.559 0.166 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.455 5.152 -1.283 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.205 4.870 -1.133 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.178 4.882 0.320 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.218 7.794 -0.282 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.205 7.705 -1.760 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.838 6.224 -0.844 1.00 0.00 H new ATOM 760 N LYS A 54 5.700 9.107 1.708 1.00 0.00 N ATOM 761 CA LYS A 54 5.883 10.513 1.997 1.00 0.00 C ATOM 762 C LYS A 54 7.384 10.820 2.179 1.00 0.00 C ATOM 763 O LYS A 54 7.876 11.859 1.738 1.00 0.00 O ATOM 764 CB LYS A 54 5.088 10.879 3.259 1.00 0.00 C ATOM 765 CG LYS A 54 4.940 12.369 3.532 1.00 0.00 C ATOM 766 CD LYS A 54 4.136 12.596 4.806 1.00 0.00 C ATOM 767 CE LYS A 54 3.786 14.064 5.026 1.00 0.00 C ATOM 768 NZ LYS A 54 2.836 14.578 4.007 1.00 0.00 N ATOM 0 H LYS A 54 5.281 8.572 2.468 1.00 0.00 H new ATOM 0 HA LYS A 54 5.514 11.113 1.166 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.093 10.441 3.180 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.572 10.416 4.119 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.924 12.827 3.628 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.444 12.852 2.690 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.218 12.010 4.761 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.705 12.230 5.660 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.352 14.186 6.018 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.698 14.660 5.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.485 15.512 4.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.321 14.662 3.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.035 13.920 3.916 1.00 0.00 H new ATOM 782 N LYS A 55 8.104 9.899 2.805 1.00 0.00 N ATOM 783 CA LYS A 55 9.544 10.067 3.055 1.00 0.00 C ATOM 784 C LYS A 55 10.429 9.404 2.008 1.00 0.00 C ATOM 785 O LYS A 55 11.259 10.057 1.378 1.00 0.00 O ATOM 786 CB LYS A 55 9.941 9.599 4.478 1.00 0.00 C ATOM 787 CG LYS A 55 9.245 8.337 4.958 1.00 0.00 C ATOM 788 CD LYS A 55 9.610 7.974 6.396 1.00 0.00 C ATOM 789 CE LYS A 55 9.163 9.027 7.407 1.00 0.00 C ATOM 790 NZ LYS A 55 9.504 8.641 8.799 1.00 0.00 N ATOM 0 H LYS A 55 7.719 9.021 3.154 1.00 0.00 H new ATOM 0 HA LYS A 55 9.722 11.140 2.978 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.018 9.433 4.502 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.727 10.404 5.181 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.166 8.472 4.884 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.509 7.509 4.300 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.154 7.017 6.650 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.690 7.843 6.469 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.634 9.981 7.169 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.086 9.174 7.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.183 9.383 9.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.034 7.744 9.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.534 8.525 8.885 1.00 0.00 H new ATOM 804 N TYR A 56 10.248 8.131 1.821 1.00 0.00 N ATOM 805 CA TYR A 56 11.114 7.351 0.958 1.00 0.00 C ATOM 806 C TYR A 56 10.576 7.314 -0.466 1.00 0.00 C ATOM 807 O TYR A 56 11.339 7.351 -1.436 1.00 0.00 O ATOM 808 CB TYR A 56 11.241 5.945 1.522 1.00 0.00 C ATOM 809 CG TYR A 56 11.565 5.912 3.003 1.00 0.00 C ATOM 810 CD1 TYR A 56 12.578 6.690 3.551 1.00 0.00 C ATOM 811 CD2 TYR A 56 10.862 5.089 3.844 1.00 0.00 C ATOM 812 CE1 TYR A 56 12.873 6.630 4.896 1.00 0.00 C ATOM 813 CE2 TYR A 56 11.138 5.023 5.181 1.00 0.00 C ATOM 814 CZ TYR A 56 12.147 5.786 5.710 1.00 0.00 C ATOM 815 OH TYR A 56 12.427 5.709 7.065 1.00 0.00 O ATOM 0 H TYR A 56 9.499 7.595 2.258 1.00 0.00 H new ATOM 0 HA TYR A 56 12.098 7.818 0.923 1.00 0.00 H new ATOM 0 HB2 TYR A 56 10.308 5.408 1.351 1.00 0.00 H new ATOM 0 HB3 TYR A 56 12.020 5.413 0.976 1.00 0.00 H new ATOM 0 HD1 TYR A 56 13.143 7.353 2.912 1.00 0.00 H new ATOM 0 HD2 TYR A 56 10.069 4.477 3.440 1.00 0.00 H new ATOM 0 HE1 TYR A 56 13.665 7.238 5.308 1.00 0.00 H new ATOM 0 HE2 TYR A 56 10.562 4.370 5.820 1.00 0.00 H new ATOM 0 HH TYR A 56 11.820 5.067 7.489 1.00 0.00 H new ATOM 825 N GLY A 57 9.282 7.226 -0.595 1.00 0.00 N ATOM 826 CA GLY A 57 8.680 7.272 -1.904 1.00 0.00 C ATOM 827 C GLY A 57 7.824 6.067 -2.210 1.00 0.00 C ATOM 828 O GLY A 57 7.858 5.056 -1.482 1.00 0.00 O ATOM 0 H GLY A 57 8.627 7.123 0.180 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.070 8.172 -1.985 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.466 7.351 -2.655 1.00 0.00 H new ATOM 832 N ALA A 58 7.063 6.177 -3.282 1.00 0.00 N ATOM 833 CA ALA A 58 6.124 5.154 -3.728 1.00 0.00 C ATOM 834 C ALA A 58 6.812 3.830 -4.045 1.00 0.00 C ATOM 835 O ALA A 58 6.337 2.762 -3.658 1.00 0.00 O ATOM 836 CB ALA A 58 5.333 5.662 -4.935 1.00 0.00 C ATOM 0 H ALA A 58 7.078 6.999 -3.885 1.00 0.00 H new ATOM 0 HA ALA A 58 5.436 4.957 -2.906 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.634 4.892 -5.262 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.780 6.559 -4.656 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.020 5.897 -5.748 1.00 0.00 H new ATOM 842 N LYS A 59 7.952 3.911 -4.692 1.00 0.00 N ATOM 843 CA LYS A 59 8.687 2.724 -5.114 1.00 0.00 C ATOM 844 C LYS A 59 9.295 1.995 -3.909 1.00 0.00 C ATOM 845 O LYS A 59 9.475 0.757 -3.929 1.00 0.00 O ATOM 846 CB LYS A 59 9.764 3.097 -6.141 1.00 0.00 C ATOM 847 CG LYS A 59 10.499 1.916 -6.745 1.00 0.00 C ATOM 848 CD LYS A 59 11.547 2.368 -7.743 1.00 0.00 C ATOM 849 CE LYS A 59 12.301 1.191 -8.344 1.00 0.00 C ATOM 850 NZ LYS A 59 11.413 0.293 -9.105 1.00 0.00 N ATOM 0 H LYS A 59 8.400 4.792 -4.943 1.00 0.00 H new ATOM 0 HA LYS A 59 7.987 2.039 -5.592 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.298 3.668 -6.945 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.491 3.754 -5.663 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.974 1.338 -5.953 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.786 1.255 -7.238 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.068 2.938 -8.539 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.252 3.038 -7.251 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.088 1.562 -9.000 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.788 0.629 -7.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.987 -0.373 -9.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.808 -0.237 -8.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.817 0.855 -9.746 1.00 0.00 H new ATOM 864 N TYR A 60 9.573 2.744 -2.847 1.00 0.00 N ATOM 865 CA TYR A 60 10.110 2.157 -1.640 1.00 0.00 C ATOM 866 C TYR A 60 9.053 1.293 -1.008 1.00 0.00 C ATOM 867 O TYR A 60 9.298 0.139 -0.661 1.00 0.00 O ATOM 868 CB TYR A 60 10.562 3.238 -0.635 1.00 0.00 C ATOM 869 CG TYR A 60 10.957 2.674 0.733 1.00 0.00 C ATOM 870 CD1 TYR A 60 9.992 2.437 1.710 1.00 0.00 C ATOM 871 CD2 TYR A 60 12.267 2.354 1.027 1.00 0.00 C ATOM 872 CE1 TYR A 60 10.315 1.901 2.930 1.00 0.00 C ATOM 873 CE2 TYR A 60 12.612 1.810 2.254 1.00 0.00 C ATOM 874 CZ TYR A 60 11.629 1.583 3.203 1.00 0.00 C ATOM 875 OH TYR A 60 11.970 1.044 4.426 1.00 0.00 O ATOM 0 H TYR A 60 9.434 3.754 -2.804 1.00 0.00 H new ATOM 0 HA TYR A 60 10.984 1.562 -1.904 1.00 0.00 H new ATOM 0 HB2 TYR A 60 11.410 3.780 -1.054 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.756 3.959 -0.503 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.961 2.682 1.500 1.00 0.00 H new ATOM 0 HD2 TYR A 60 13.036 2.530 0.289 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.548 1.729 3.670 1.00 0.00 H new ATOM 0 HE2 TYR A 60 13.641 1.564 2.469 1.00 0.00 H new ATOM 0 HH TYR A 60 12.935 0.878 4.453 1.00 0.00 H new ATOM 885 N ALA A 61 7.870 1.859 -0.876 1.00 0.00 N ATOM 886 CA ALA A 61 6.777 1.174 -0.243 1.00 0.00 C ATOM 887 C ALA A 61 6.355 -0.025 -1.043 1.00 0.00 C ATOM 888 O ALA A 61 5.930 -1.004 -0.479 1.00 0.00 O ATOM 889 CB ALA A 61 5.626 2.097 -0.022 1.00 0.00 C ATOM 0 H ALA A 61 7.647 2.799 -1.204 1.00 0.00 H new ATOM 0 HA ALA A 61 7.121 0.824 0.730 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.812 1.555 0.458 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.939 2.922 0.617 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.285 2.489 -0.980 1.00 0.00 H new ATOM 895 N ALA A 62 6.499 0.052 -2.363 1.00 0.00 N ATOM 896 CA ALA A 62 6.203 -1.077 -3.236 1.00 0.00 C ATOM 897 C ALA A 62 7.069 -2.268 -2.845 1.00 0.00 C ATOM 898 O ALA A 62 6.587 -3.402 -2.748 1.00 0.00 O ATOM 899 CB ALA A 62 6.436 -0.704 -4.697 1.00 0.00 C ATOM 0 H ALA A 62 6.820 0.888 -2.852 1.00 0.00 H new ATOM 0 HA ALA A 62 5.153 -1.347 -3.120 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.209 -1.561 -5.332 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.788 0.130 -4.967 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.477 -0.414 -4.837 1.00 0.00 H new ATOM 905 N ALA A 63 8.340 -1.995 -2.577 1.00 0.00 N ATOM 906 CA ALA A 63 9.263 -3.027 -2.142 1.00 0.00 C ATOM 907 C ALA A 63 8.902 -3.502 -0.743 1.00 0.00 C ATOM 908 O ALA A 63 8.797 -4.708 -0.490 1.00 0.00 O ATOM 909 CB ALA A 63 10.692 -2.516 -2.175 1.00 0.00 C ATOM 0 H ALA A 63 8.752 -1.065 -2.654 1.00 0.00 H new ATOM 0 HA ALA A 63 9.185 -3.870 -2.828 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.368 -3.305 -1.845 1.00 0.00 H new ATOM 0 HB2 ALA A 63 10.949 -2.219 -3.192 1.00 0.00 H new ATOM 0 HB3 ALA A 63 10.786 -1.656 -1.511 1.00 0.00 H new ATOM 915 N TRP A 64 8.673 -2.541 0.138 1.00 0.00 N ATOM 916 CA TRP A 64 8.334 -2.791 1.532 1.00 0.00 C ATOM 917 C TRP A 64 7.088 -3.669 1.656 1.00 0.00 C ATOM 918 O TRP A 64 7.080 -4.643 2.426 1.00 0.00 O ATOM 919 CB TRP A 64 8.136 -1.457 2.268 1.00 0.00 C ATOM 920 CG TRP A 64 7.757 -1.593 3.709 1.00 0.00 C ATOM 921 CD1 TRP A 64 8.601 -1.662 4.766 1.00 0.00 C ATOM 922 CD2 TRP A 64 6.427 -1.667 4.249 1.00 0.00 C ATOM 923 NE1 TRP A 64 7.888 -1.775 5.931 1.00 0.00 N ATOM 924 CE2 TRP A 64 6.550 -1.777 5.641 1.00 0.00 C ATOM 925 CE3 TRP A 64 5.148 -1.647 3.684 1.00 0.00 C ATOM 926 CZ2 TRP A 64 5.441 -1.866 6.482 1.00 0.00 C ATOM 927 CZ3 TRP A 64 4.056 -1.733 4.516 1.00 0.00 C ATOM 928 CH2 TRP A 64 4.203 -1.840 5.895 1.00 0.00 C ATOM 0 H TRP A 64 8.718 -1.550 -0.098 1.00 0.00 H new ATOM 0 HA TRP A 64 9.160 -3.332 1.993 1.00 0.00 H new ATOM 0 HB2 TRP A 64 9.058 -0.879 2.201 1.00 0.00 H new ATOM 0 HB3 TRP A 64 7.363 -0.885 1.755 1.00 0.00 H new ATOM 0 HD1 TRP A 64 9.679 -1.632 4.700 1.00 0.00 H new ATOM 0 HE1 TRP A 64 8.290 -1.846 6.866 1.00 0.00 H new ATOM 0 HE3 TRP A 64 5.020 -1.566 2.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 5.553 -1.952 7.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 3.064 -1.717 4.090 1.00 0.00 H new ATOM 0 HH2 TRP A 64 3.322 -1.904 6.517 1.00 0.00 H new