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 51 SER OG : rot 180:sc= 0.124 USER MOD Set 1.2: A 55 LYS NZ :NH3+ 172:sc= 0.0976 (180deg=-0.0784) USER MOD Single : A 1 LEU N :NH3+ -129:sc= 1.46 (180deg=-0.897) USER MOD Single : A 2 THR OG1 : rot 109:sc= 1.23 USER MOD Single : A 4 ASN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0.321 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -132:sc= -0.0422 (180deg=-0.215) USER MOD Single : A 20 ASN : amide:sc= -0.0896 K(o=-0.09,f=-0.85!) USER MOD Single : A 21 THR OG1 : rot -84:sc= 0.509 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.11 USER MOD Single : A 33 THR OG1 : rot 84:sc= 1.19 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.589 USER MOD Single : A 48 THR OG1 : rot 93:sc= 1.23 USER MOD Single : A 50 LYS NZ :NH3+ 175:sc= 0.924 (180deg=0.905) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 163:sc= -0.0925 (180deg=-0.455) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 6.025 -3.174 0.970 1.00 0.00 N ATOM 2 CA LEU A 1 4.756 -3.895 0.957 1.00 0.00 C ATOM 3 C LEU A 1 4.987 -5.321 0.551 1.00 0.00 C ATOM 4 O LEU A 1 4.602 -6.250 1.252 1.00 0.00 O ATOM 5 CB LEU A 1 3.772 -3.251 -0.025 1.00 0.00 C ATOM 6 CG LEU A 1 3.200 -1.884 0.350 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.469 -1.301 -0.835 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.243 -2.011 1.519 1.00 0.00 C ATOM 0 H1 LEU A 1 6.135 -2.681 1.879 1.00 0.00 H new ATOM 0 H3 LEU A 1 6.038 -2.480 0.196 1.00 0.00 H new ATOM 0 HA LEU A 1 4.332 -3.855 1.960 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.272 -3.154 -0.989 1.00 0.00 H new ATOM 0 HB3 LEU A 1 2.938 -3.938 -0.166 1.00 0.00 H new ATOM 0 HG LEU A 1 4.022 -1.228 0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.061 -0.326 -0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.161 -1.188 -1.670 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.656 -1.967 -1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 1 1.846 -1.028 1.772 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.423 -2.675 1.247 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.772 -2.421 2.379 1.00 0.00 H new ATOM 20 N THR A 2 5.675 -5.480 -0.544 1.00 0.00 N ATOM 21 CA THR A 2 5.971 -6.777 -1.095 1.00 0.00 C ATOM 22 C THR A 2 6.741 -7.643 -0.097 1.00 0.00 C ATOM 23 O THR A 2 6.387 -8.808 0.116 1.00 0.00 O ATOM 24 CB THR A 2 6.787 -6.622 -2.392 1.00 0.00 C ATOM 25 OG1 THR A 2 6.066 -5.848 -3.352 1.00 0.00 O ATOM 26 CG2 THR A 2 7.175 -7.956 -2.967 1.00 0.00 C ATOM 0 H THR A 2 6.052 -4.704 -1.088 1.00 0.00 H new ATOM 0 HA THR A 2 5.026 -7.274 -1.315 1.00 0.00 H new ATOM 0 HB THR A 2 7.707 -6.094 -2.140 1.00 0.00 H new ATOM 0 HG1 THR A 2 6.488 -4.969 -3.447 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.749 -7.805 -3.881 1.00 0.00 H new ATOM 0 HG22 THR A 2 7.781 -8.502 -2.244 1.00 0.00 H new ATOM 0 HG23 THR A 2 6.276 -8.530 -3.194 1.00 0.00 H new ATOM 34 N ALA A 3 7.756 -7.058 0.503 1.00 0.00 N ATOM 35 CA ALA A 3 8.626 -7.728 1.464 1.00 0.00 C ATOM 36 C ALA A 3 7.882 -8.190 2.718 1.00 0.00 C ATOM 37 O ALA A 3 8.008 -9.345 3.130 1.00 0.00 O ATOM 38 CB ALA A 3 9.778 -6.812 1.849 1.00 0.00 C ATOM 0 H ALA A 3 8.010 -6.084 0.337 1.00 0.00 H new ATOM 0 HA ALA A 3 9.010 -8.624 0.975 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.422 -7.320 2.567 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.354 -6.559 0.959 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.384 -5.900 2.297 1.00 0.00 H new ATOM 44 N ASN A 4 7.091 -7.309 3.287 1.00 0.00 N ATOM 45 CA ASN A 4 6.409 -7.582 4.560 1.00 0.00 C ATOM 46 C ASN A 4 5.171 -8.422 4.376 1.00 0.00 C ATOM 47 O ASN A 4 4.939 -9.385 5.116 1.00 0.00 O ATOM 48 CB ASN A 4 6.057 -6.275 5.298 1.00 0.00 C ATOM 49 CG ASN A 4 7.264 -5.582 5.897 1.00 0.00 C ATOM 50 OD1 ASN A 4 7.615 -5.807 7.057 1.00 0.00 O ATOM 51 ND2 ASN A 4 7.902 -4.740 5.135 1.00 0.00 N ATOM 0 H ASN A 4 6.895 -6.388 2.896 1.00 0.00 H new ATOM 0 HA ASN A 4 7.110 -8.152 5.170 1.00 0.00 H new ATOM 0 HB2 ASN A 4 5.564 -5.595 4.603 1.00 0.00 H new ATOM 0 HB3 ASN A 4 5.342 -6.495 6.091 1.00 0.00 H new ATOM 0 HD21 ASN A 4 8.718 -4.244 5.494 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.586 -4.576 4.179 1.00 0.00 H new ATOM 58 N LEU A 5 4.385 -8.088 3.385 1.00 0.00 N ATOM 59 CA LEU A 5 3.133 -8.781 3.155 1.00 0.00 C ATOM 60 C LEU A 5 3.373 -10.064 2.387 1.00 0.00 C ATOM 61 O LEU A 5 2.610 -11.027 2.511 1.00 0.00 O ATOM 62 CB LEU A 5 2.212 -7.887 2.353 1.00 0.00 C ATOM 63 CG LEU A 5 1.955 -6.497 2.927 1.00 0.00 C ATOM 64 CD1 LEU A 5 1.272 -5.649 1.890 1.00 0.00 C ATOM 65 CD2 LEU A 5 1.121 -6.569 4.200 1.00 0.00 C ATOM 0 H LEU A 5 4.586 -7.340 2.721 1.00 0.00 H new ATOM 0 HA LEU A 5 2.680 -9.024 4.116 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.631 -7.773 1.353 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.254 -8.394 2.241 1.00 0.00 H new ATOM 0 HG LEU A 5 2.911 -6.045 3.191 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.087 -4.655 2.297 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.909 -5.568 1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.324 -6.109 1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.956 -5.562 4.584 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.161 -7.036 3.980 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.649 -7.160 4.948 1.00 0.00 H new ATOM 77 N GLY A 6 4.437 -10.085 1.598 1.00 0.00 N ATOM 78 CA GLY A 6 4.751 -11.271 0.832 1.00 0.00 C ATOM 79 C GLY A 6 3.826 -11.368 -0.334 1.00 0.00 C ATOM 80 O GLY A 6 3.274 -12.431 -0.629 1.00 0.00 O ATOM 0 H GLY A 6 5.085 -9.307 1.475 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.785 -11.232 0.488 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.657 -12.158 1.459 1.00 0.00 H new ATOM 84 N ILE A 7 3.638 -10.248 -0.982 1.00 0.00 N ATOM 85 CA ILE A 7 2.688 -10.159 -2.070 1.00 0.00 C ATOM 86 C ILE A 7 3.383 -10.002 -3.394 1.00 0.00 C ATOM 87 O ILE A 7 4.607 -9.852 -3.448 1.00 0.00 O ATOM 88 CB ILE A 7 1.670 -9.006 -1.884 1.00 0.00 C ATOM 89 CG1 ILE A 7 2.383 -7.651 -1.724 1.00 0.00 C ATOM 90 CG2 ILE A 7 0.744 -9.290 -0.707 1.00 0.00 C ATOM 91 CD1 ILE A 7 1.442 -6.466 -1.664 1.00 0.00 C ATOM 0 H ILE A 7 4.131 -9.379 -0.777 1.00 0.00 H new ATOM 0 HA ILE A 7 2.137 -11.099 -2.060 1.00 0.00 H new ATOM 0 HB ILE A 7 1.059 -8.946 -2.785 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.983 -7.672 -0.814 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.072 -7.513 -2.557 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.037 -8.468 -0.594 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.198 -10.216 -0.889 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.334 -9.389 0.204 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.019 -5.548 -1.551 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.859 -6.417 -2.584 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.769 -6.578 -0.814 1.00 0.00 H new ATOM 103 N SER A 8 2.614 -10.029 -4.447 1.00 0.00 N ATOM 104 CA SER A 8 3.133 -9.893 -5.769 1.00 0.00 C ATOM 105 C SER A 8 3.464 -8.436 -6.053 1.00 0.00 C ATOM 106 O SER A 8 2.902 -7.524 -5.422 1.00 0.00 O ATOM 107 CB SER A 8 2.104 -10.420 -6.768 1.00 0.00 C ATOM 108 OG SER A 8 0.850 -9.781 -6.583 1.00 0.00 O ATOM 0 H SER A 8 1.602 -10.147 -4.406 1.00 0.00 H new ATOM 0 HA SER A 8 4.051 -10.473 -5.865 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.457 -10.250 -7.785 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.990 -11.497 -6.646 1.00 0.00 H new ATOM 0 HG SER A 8 0.206 -10.131 -7.233 1.00 0.00 H new ATOM 114 N SER A 9 4.350 -8.211 -6.995 1.00 0.00 N ATOM 115 CA SER A 9 4.727 -6.883 -7.385 1.00 0.00 C ATOM 116 C SER A 9 3.547 -6.231 -8.114 1.00 0.00 C ATOM 117 O SER A 9 3.427 -4.994 -8.162 1.00 0.00 O ATOM 118 CB SER A 9 5.975 -6.932 -8.275 1.00 0.00 C ATOM 119 OG SER A 9 6.504 -5.637 -8.508 1.00 0.00 O ATOM 0 H SER A 9 4.828 -8.950 -7.511 1.00 0.00 H new ATOM 0 HA SER A 9 4.972 -6.287 -6.506 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.734 -7.556 -7.803 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.725 -7.400 -9.227 1.00 0.00 H new ATOM 0 HG SER A 9 7.299 -5.706 -9.077 1.00 0.00 H new ATOM 125 N TYR A 10 2.688 -7.076 -8.685 1.00 0.00 N ATOM 126 CA TYR A 10 1.468 -6.643 -9.322 1.00 0.00 C ATOM 127 C TYR A 10 0.564 -6.036 -8.252 1.00 0.00 C ATOM 128 O TYR A 10 0.192 -4.866 -8.338 1.00 0.00 O ATOM 129 CB TYR A 10 0.760 -7.844 -9.985 1.00 0.00 C ATOM 130 CG TYR A 10 -0.387 -7.487 -10.937 1.00 0.00 C ATOM 131 CD1 TYR A 10 -1.528 -6.810 -10.500 1.00 0.00 C ATOM 132 CD2 TYR A 10 -0.317 -7.835 -12.277 1.00 0.00 C ATOM 133 CE1 TYR A 10 -2.553 -6.495 -11.369 1.00 0.00 C ATOM 134 CE2 TYR A 10 -1.340 -7.529 -13.150 1.00 0.00 C ATOM 135 CZ TYR A 10 -2.452 -6.859 -12.692 1.00 0.00 C ATOM 136 OH TYR A 10 -3.480 -6.561 -13.568 1.00 0.00 O ATOM 0 H TYR A 10 2.831 -8.086 -8.713 1.00 0.00 H new ATOM 0 HA TYR A 10 1.690 -5.906 -10.094 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.501 -8.422 -10.537 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.370 -8.493 -9.201 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.610 -6.527 -9.461 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.555 -8.356 -12.644 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -3.426 -5.968 -11.014 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.269 -7.814 -14.189 1.00 0.00 H new ATOM 0 HH TYR A 10 -3.251 -6.885 -14.464 1.00 0.00 H new ATOM 146 N ALA A 11 0.258 -6.827 -7.218 1.00 0.00 N ATOM 147 CA ALA A 11 -0.619 -6.386 -6.138 1.00 0.00 C ATOM 148 C ALA A 11 -0.043 -5.200 -5.414 1.00 0.00 C ATOM 149 O ALA A 11 -0.764 -4.258 -5.124 1.00 0.00 O ATOM 150 CB ALA A 11 -0.917 -7.516 -5.168 1.00 0.00 C ATOM 0 H ALA A 11 0.608 -7.779 -7.110 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.561 -6.078 -6.592 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.573 -7.153 -4.377 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.407 -8.332 -5.699 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.015 -7.876 -4.731 1.00 0.00 H new ATOM 156 N ALA A 12 1.260 -5.225 -5.165 1.00 0.00 N ATOM 157 CA ALA A 12 1.934 -4.122 -4.494 1.00 0.00 C ATOM 158 C ALA A 12 1.782 -2.831 -5.280 1.00 0.00 C ATOM 159 O ALA A 12 1.543 -1.781 -4.703 1.00 0.00 O ATOM 160 CB ALA A 12 3.397 -4.432 -4.276 1.00 0.00 C ATOM 0 H ALA A 12 1.873 -6.000 -5.419 1.00 0.00 H new ATOM 0 HA ALA A 12 1.461 -3.991 -3.521 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.876 -3.592 -3.773 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.492 -5.326 -3.659 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.880 -4.602 -5.238 1.00 0.00 H new ATOM 166 N LYS A 13 1.876 -2.929 -6.604 1.00 0.00 N ATOM 167 CA LYS A 13 1.741 -1.768 -7.471 1.00 0.00 C ATOM 168 C LYS A 13 0.336 -1.200 -7.349 1.00 0.00 C ATOM 169 O LYS A 13 0.141 0.025 -7.294 1.00 0.00 O ATOM 170 CB LYS A 13 2.016 -2.148 -8.924 1.00 0.00 C ATOM 171 CG LYS A 13 2.066 -0.957 -9.864 1.00 0.00 C ATOM 172 CD LYS A 13 2.277 -1.365 -11.307 1.00 0.00 C ATOM 173 CE LYS A 13 2.333 -0.139 -12.200 1.00 0.00 C ATOM 174 NZ LYS A 13 2.497 -0.479 -13.624 1.00 0.00 N ATOM 0 H LYS A 13 2.046 -3.805 -7.098 1.00 0.00 H new ATOM 0 HA LYS A 13 2.468 -1.017 -7.163 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.964 -2.683 -8.978 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.242 -2.836 -9.264 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.136 -0.394 -9.781 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.871 -0.290 -9.557 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.203 -1.933 -11.399 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.468 -2.020 -11.628 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.419 0.440 -12.072 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.160 0.497 -11.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.529 0.394 -14.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.383 -1.008 -13.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.695 -1.063 -13.936 1.00 0.00 H new ATOM 188 N LYS A 14 -0.628 -2.097 -7.293 1.00 0.00 N ATOM 189 CA LYS A 14 -2.021 -1.732 -7.130 1.00 0.00 C ATOM 190 C LYS A 14 -2.211 -1.020 -5.798 1.00 0.00 C ATOM 191 O LYS A 14 -2.825 0.038 -5.740 1.00 0.00 O ATOM 192 CB LYS A 14 -2.910 -2.968 -7.163 1.00 0.00 C ATOM 193 CG LYS A 14 -2.761 -3.848 -8.408 1.00 0.00 C ATOM 194 CD LYS A 14 -3.147 -3.146 -9.712 1.00 0.00 C ATOM 195 CE LYS A 14 -4.632 -2.817 -9.785 1.00 0.00 C ATOM 196 NZ LYS A 14 -5.489 -4.025 -9.708 1.00 0.00 N ATOM 0 H LYS A 14 -0.467 -3.102 -7.359 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.301 -1.072 -7.951 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.695 -3.573 -6.282 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.950 -2.650 -7.085 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.727 -4.186 -8.481 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.379 -4.738 -8.289 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.570 -2.226 -9.809 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.878 -3.782 -10.556 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.891 -2.140 -8.971 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.838 -2.289 -10.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.203 -3.993 -10.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.901 -4.875 -9.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.965 -4.055 -8.784 1.00 0.00 H new ATOM 210 N VAL A 15 -1.666 -1.613 -4.734 1.00 0.00 N ATOM 211 CA VAL A 15 -1.720 -1.020 -3.392 1.00 0.00 C ATOM 212 C VAL A 15 -1.136 0.389 -3.411 1.00 0.00 C ATOM 213 O VAL A 15 -1.744 1.315 -2.877 1.00 0.00 O ATOM 214 CB VAL A 15 -0.952 -1.859 -2.332 1.00 0.00 C ATOM 215 CG1 VAL A 15 -1.086 -1.240 -0.945 1.00 0.00 C ATOM 216 CG2 VAL A 15 -1.436 -3.290 -2.309 1.00 0.00 C ATOM 0 H VAL A 15 -1.179 -2.508 -4.774 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.773 -0.997 -3.110 1.00 0.00 H new ATOM 0 HB VAL A 15 0.100 -1.857 -2.616 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.540 -1.846 -0.222 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.676 -0.230 -0.956 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.138 -1.201 -0.664 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.879 -3.850 -1.558 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.498 -3.311 -2.064 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.280 -3.743 -3.288 1.00 0.00 H new ATOM 226 N ILE A 16 0.024 0.542 -4.068 1.00 0.00 N ATOM 227 CA ILE A 16 0.708 1.842 -4.177 1.00 0.00 C ATOM 228 C ILE A 16 -0.200 2.858 -4.815 1.00 0.00 C ATOM 229 O ILE A 16 -0.326 3.984 -4.333 1.00 0.00 O ATOM 230 CB ILE A 16 2.025 1.752 -5.007 1.00 0.00 C ATOM 231 CG1 ILE A 16 3.044 0.866 -4.301 1.00 0.00 C ATOM 232 CG2 ILE A 16 2.621 3.147 -5.276 1.00 0.00 C ATOM 233 CD1 ILE A 16 3.491 1.394 -2.958 1.00 0.00 C ATOM 0 H ILE A 16 0.511 -0.223 -4.535 1.00 0.00 H new ATOM 0 HA ILE A 16 0.965 2.147 -3.162 1.00 0.00 H new ATOM 0 HB ILE A 16 1.778 1.304 -5.970 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.615 -0.127 -4.165 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.917 0.751 -4.943 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.538 3.045 -5.857 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.903 3.748 -5.834 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.844 3.636 -4.328 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.215 0.707 -2.520 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.951 2.374 -3.087 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.629 1.483 -2.297 1.00 0.00 H new ATOM 245 N ASP A 17 -0.851 2.446 -5.869 1.00 0.00 N ATOM 246 CA ASP A 17 -1.760 3.305 -6.584 1.00 0.00 C ATOM 247 C ASP A 17 -2.881 3.752 -5.677 1.00 0.00 C ATOM 248 O ASP A 17 -3.156 4.931 -5.559 1.00 0.00 O ATOM 249 CB ASP A 17 -2.339 2.588 -7.790 1.00 0.00 C ATOM 250 CG ASP A 17 -3.296 3.455 -8.570 1.00 0.00 C ATOM 251 OD1 ASP A 17 -2.834 4.250 -9.417 1.00 0.00 O ATOM 252 OD2 ASP A 17 -4.527 3.318 -8.384 1.00 0.00 O ATOM 0 H ASP A 17 -0.767 1.507 -6.257 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.203 4.178 -6.926 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.527 2.269 -8.444 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.856 1.687 -7.460 1.00 0.00 H new ATOM 257 N ILE A 18 -3.471 2.813 -4.990 1.00 0.00 N ATOM 258 CA ILE A 18 -4.614 3.081 -4.139 1.00 0.00 C ATOM 259 C ILE A 18 -4.238 3.956 -2.932 1.00 0.00 C ATOM 260 O ILE A 18 -4.898 4.959 -2.672 1.00 0.00 O ATOM 261 CB ILE A 18 -5.263 1.780 -3.641 1.00 0.00 C ATOM 262 CG1 ILE A 18 -5.641 0.890 -4.820 1.00 0.00 C ATOM 263 CG2 ILE A 18 -6.498 2.101 -2.810 1.00 0.00 C ATOM 264 CD1 ILE A 18 -6.078 -0.501 -4.428 1.00 0.00 C ATOM 0 H ILE A 18 -3.178 1.836 -5.000 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.332 3.625 -4.753 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.545 1.246 -3.019 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.446 1.368 -5.379 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.787 0.815 -5.493 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.952 1.174 -2.461 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.211 2.710 -1.953 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.215 2.649 -3.421 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.329 -1.069 -5.324 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.268 -1.001 -3.896 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.953 -0.439 -3.781 1.00 0.00 H new ATOM 276 N ILE A 19 -3.185 3.581 -2.212 1.00 0.00 N ATOM 277 CA ILE A 19 -2.747 4.357 -1.035 1.00 0.00 C ATOM 278 C ILE A 19 -2.326 5.780 -1.419 1.00 0.00 C ATOM 279 O ILE A 19 -2.393 6.697 -0.600 1.00 0.00 O ATOM 280 CB ILE A 19 -1.585 3.683 -0.239 1.00 0.00 C ATOM 281 CG1 ILE A 19 -0.328 3.544 -1.115 1.00 0.00 C ATOM 282 CG2 ILE A 19 -2.024 2.330 0.320 1.00 0.00 C ATOM 283 CD1 ILE A 19 0.877 2.969 -0.412 1.00 0.00 C ATOM 0 H ILE A 19 -2.619 2.756 -2.412 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.621 4.392 -0.384 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.332 4.326 0.604 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.567 2.912 -1.970 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.067 4.526 -1.508 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.199 1.879 0.871 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.873 2.471 0.989 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.314 1.674 -0.501 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.712 2.910 -1.110 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.150 3.610 0.426 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.641 1.971 -0.043 1.00 0.00 H new ATOM 295 N ASN A 20 -1.884 5.953 -2.654 1.00 0.00 N ATOM 296 CA ASN A 20 -1.470 7.251 -3.140 1.00 0.00 C ATOM 297 C ASN A 20 -2.686 8.053 -3.626 1.00 0.00 C ATOM 298 O ASN A 20 -2.782 9.263 -3.379 1.00 0.00 O ATOM 299 CB ASN A 20 -0.462 7.053 -4.282 1.00 0.00 C ATOM 300 CG ASN A 20 0.282 8.314 -4.715 1.00 0.00 C ATOM 301 OD1 ASN A 20 -0.233 9.431 -4.654 1.00 0.00 O ATOM 302 ND2 ASN A 20 1.499 8.138 -5.173 1.00 0.00 N ATOM 0 H ASN A 20 -1.804 5.202 -3.340 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.000 7.813 -2.333 1.00 0.00 H new ATOM 0 HB2 ASN A 20 0.270 6.306 -3.975 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -0.989 6.647 -5.145 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.045 8.939 -5.491 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.899 7.200 -5.211 1.00 0.00 H new ATOM 309 N THR A 21 -3.627 7.379 -4.266 1.00 0.00 N ATOM 310 CA THR A 21 -4.803 8.037 -4.809 1.00 0.00 C ATOM 311 C THR A 21 -5.813 8.388 -3.721 1.00 0.00 C ATOM 312 O THR A 21 -6.308 9.519 -3.663 1.00 0.00 O ATOM 313 CB THR A 21 -5.489 7.178 -5.906 1.00 0.00 C ATOM 314 OG1 THR A 21 -5.694 5.846 -5.418 1.00 0.00 O ATOM 315 CG2 THR A 21 -4.649 7.100 -7.153 1.00 0.00 C ATOM 0 H THR A 21 -3.599 6.371 -4.423 1.00 0.00 H new ATOM 0 HA THR A 21 -4.452 8.963 -5.263 1.00 0.00 H new ATOM 0 HB THR A 21 -6.440 7.653 -6.149 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.875 5.322 -5.542 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.160 6.491 -7.899 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.492 8.103 -7.549 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.686 6.649 -6.915 1.00 0.00 H new ATOM 323 N GLY A 22 -6.091 7.436 -2.854 1.00 0.00 N ATOM 324 CA GLY A 22 -7.077 7.615 -1.814 1.00 0.00 C ATOM 325 C GLY A 22 -6.631 8.587 -0.757 1.00 0.00 C ATOM 326 O GLY A 22 -5.433 8.816 -0.575 1.00 0.00 O ATOM 0 H GLY A 22 -5.641 6.521 -2.852 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.008 7.968 -2.258 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.290 6.652 -1.350 1.00 0.00 H new ATOM 330 N SER A 23 -7.575 9.162 -0.073 1.00 0.00 N ATOM 331 CA SER A 23 -7.290 10.123 0.949 1.00 0.00 C ATOM 332 C SER A 23 -7.488 9.511 2.327 1.00 0.00 C ATOM 333 O SER A 23 -6.513 9.127 3.008 1.00 0.00 O ATOM 334 CB SER A 23 -8.203 11.332 0.768 1.00 0.00 C ATOM 335 OG SER A 23 -7.994 11.958 -0.499 1.00 0.00 O ATOM 0 H SER A 23 -8.569 8.976 -0.209 1.00 0.00 H new ATOM 0 HA SER A 23 -6.250 10.438 0.866 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.244 11.020 0.854 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.019 12.052 1.566 1.00 0.00 H new ATOM 0 HG SER A 23 -8.594 12.728 -0.586 1.00 0.00 H new ATOM 341 N ALA A 24 -8.750 9.368 2.701 1.00 0.00 N ATOM 342 CA ALA A 24 -9.138 8.838 3.992 1.00 0.00 C ATOM 343 C ALA A 24 -8.694 7.405 4.129 1.00 0.00 C ATOM 344 O ALA A 24 -8.894 6.598 3.215 1.00 0.00 O ATOM 345 CB ALA A 24 -10.639 8.934 4.175 1.00 0.00 C ATOM 0 H ALA A 24 -9.540 9.621 2.107 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.651 9.432 4.765 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.913 8.531 5.150 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.947 9.978 4.114 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.138 8.362 3.393 1.00 0.00 H new ATOM 351 N VAL A 25 -8.126 7.086 5.272 1.00 0.00 N ATOM 352 CA VAL A 25 -7.577 5.761 5.542 1.00 0.00 C ATOM 353 C VAL A 25 -8.634 4.680 5.359 1.00 0.00 C ATOM 354 O VAL A 25 -8.399 3.697 4.665 1.00 0.00 O ATOM 355 CB VAL A 25 -6.950 5.681 6.961 1.00 0.00 C ATOM 356 CG1 VAL A 25 -6.368 4.301 7.244 1.00 0.00 C ATOM 357 CG2 VAL A 25 -5.881 6.745 7.128 1.00 0.00 C ATOM 0 H VAL A 25 -8.028 7.738 6.050 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.782 5.586 4.817 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.747 5.859 7.683 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.939 4.286 8.246 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.157 3.552 7.176 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.591 4.077 6.513 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.452 6.676 8.127 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.098 6.594 6.385 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.325 7.731 6.992 1.00 0.00 H new ATOM 367 N ALA A 26 -9.805 4.913 5.914 1.00 0.00 N ATOM 368 CA ALA A 26 -10.916 3.982 5.826 1.00 0.00 C ATOM 369 C ALA A 26 -11.312 3.734 4.375 1.00 0.00 C ATOM 370 O ALA A 26 -11.648 2.593 3.990 1.00 0.00 O ATOM 371 CB ALA A 26 -12.097 4.497 6.619 1.00 0.00 C ATOM 0 H ALA A 26 -10.016 5.759 6.443 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.596 3.031 6.252 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.922 3.789 6.544 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.811 4.611 7.665 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.410 5.462 6.221 1.00 0.00 H new ATOM 377 N THR A 27 -11.216 4.771 3.564 1.00 0.00 N ATOM 378 CA THR A 27 -11.562 4.673 2.169 1.00 0.00 C ATOM 379 C THR A 27 -10.508 3.836 1.441 1.00 0.00 C ATOM 380 O THR A 27 -10.841 2.947 0.655 1.00 0.00 O ATOM 381 CB THR A 27 -11.683 6.082 1.538 1.00 0.00 C ATOM 382 OG1 THR A 27 -12.693 6.831 2.248 1.00 0.00 O ATOM 383 CG2 THR A 27 -12.059 6.008 0.061 1.00 0.00 C ATOM 0 H THR A 27 -10.898 5.695 3.856 1.00 0.00 H new ATOM 0 HA THR A 27 -12.531 4.182 2.072 1.00 0.00 H new ATOM 0 HB THR A 27 -10.713 6.573 1.615 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.774 7.725 1.855 1.00 0.00 H new ATOM 0 HG21 THR A 27 -12.134 7.016 -0.346 1.00 0.00 H new ATOM 0 HG22 THR A 27 -11.294 5.454 -0.482 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.018 5.501 -0.045 1.00 0.00 H new ATOM 391 N ILE A 28 -9.246 4.077 1.772 1.00 0.00 N ATOM 392 CA ILE A 28 -8.142 3.370 1.170 1.00 0.00 C ATOM 393 C ILE A 28 -8.222 1.896 1.509 1.00 0.00 C ATOM 394 O ILE A 28 -8.149 1.066 0.615 1.00 0.00 O ATOM 395 CB ILE A 28 -6.793 3.955 1.634 1.00 0.00 C ATOM 396 CG1 ILE A 28 -6.705 5.424 1.246 1.00 0.00 C ATOM 397 CG2 ILE A 28 -5.627 3.185 1.030 1.00 0.00 C ATOM 398 CD1 ILE A 28 -5.540 6.142 1.864 1.00 0.00 C ATOM 0 H ILE A 28 -8.967 4.770 2.467 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.207 3.489 0.088 1.00 0.00 H new ATOM 0 HB ILE A 28 -6.735 3.864 2.719 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.634 5.501 0.161 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -7.627 5.925 1.541 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.688 3.618 1.374 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.680 2.142 1.341 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.677 3.243 -0.057 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.542 7.183 1.542 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.620 6.097 2.950 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.611 5.667 1.549 1.00 0.00 H new ATOM 410 N ILE A 29 -8.436 1.582 2.793 1.00 0.00 N ATOM 411 CA ILE A 29 -8.540 0.191 3.256 1.00 0.00 C ATOM 412 C ILE A 29 -9.567 -0.575 2.431 1.00 0.00 C ATOM 413 O ILE A 29 -9.290 -1.676 1.963 1.00 0.00 O ATOM 414 CB ILE A 29 -8.961 0.113 4.746 1.00 0.00 C ATOM 415 CG1 ILE A 29 -7.949 0.823 5.625 1.00 0.00 C ATOM 416 CG2 ILE A 29 -9.119 -1.346 5.201 1.00 0.00 C ATOM 417 CD1 ILE A 29 -8.437 1.037 7.025 1.00 0.00 C ATOM 0 H ILE A 29 -8.541 2.276 3.533 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.552 -0.253 3.138 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.926 0.611 4.845 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.028 0.241 5.652 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.703 1.787 5.180 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.415 -1.370 6.250 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.884 -1.835 4.597 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.171 -1.870 5.079 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.668 1.549 7.604 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.342 1.644 7.006 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -8.656 0.074 7.485 1.00 0.00 H new ATOM 429 N ALA A 30 -10.719 0.042 2.208 1.00 0.00 N ATOM 430 CA ALA A 30 -11.802 -0.598 1.480 1.00 0.00 C ATOM 431 C ALA A 30 -11.421 -0.858 0.034 1.00 0.00 C ATOM 432 O ALA A 30 -11.797 -1.878 -0.547 1.00 0.00 O ATOM 433 CB ALA A 30 -13.055 0.248 1.545 1.00 0.00 C ATOM 0 H ALA A 30 -10.927 0.990 2.523 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.997 -1.560 1.955 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -13.856 -0.246 0.995 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -13.354 0.376 2.585 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.858 1.224 1.102 1.00 0.00 H new ATOM 439 N LEU A 31 -10.659 0.043 -0.535 1.00 0.00 N ATOM 440 CA LEU A 31 -10.259 -0.079 -1.916 1.00 0.00 C ATOM 441 C LEU A 31 -9.137 -1.105 -2.067 1.00 0.00 C ATOM 442 O LEU A 31 -9.178 -1.972 -2.964 1.00 0.00 O ATOM 443 CB LEU A 31 -9.827 1.277 -2.455 1.00 0.00 C ATOM 444 CG LEU A 31 -10.886 2.392 -2.427 1.00 0.00 C ATOM 445 CD1 LEU A 31 -10.302 3.693 -2.930 1.00 0.00 C ATOM 446 CD2 LEU A 31 -12.109 2.016 -3.244 1.00 0.00 C ATOM 0 H LEU A 31 -10.302 0.873 -0.061 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.112 -0.429 -2.497 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.962 1.613 -1.883 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.496 1.146 -3.485 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.200 2.523 -1.391 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.066 4.470 -2.903 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.465 3.985 -2.296 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.953 3.563 -3.954 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.837 2.826 -3.203 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -11.816 1.844 -4.280 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.553 1.108 -2.837 1.00 0.00 H new ATOM 458 N VAL A 32 -8.162 -1.047 -1.166 1.00 0.00 N ATOM 459 CA VAL A 32 -7.042 -1.970 -1.219 1.00 0.00 C ATOM 460 C VAL A 32 -7.554 -3.384 -0.972 1.00 0.00 C ATOM 461 O VAL A 32 -7.195 -4.312 -1.680 1.00 0.00 O ATOM 462 CB VAL A 32 -5.909 -1.641 -0.198 1.00 0.00 C ATOM 463 CG1 VAL A 32 -4.689 -2.483 -0.468 1.00 0.00 C ATOM 464 CG2 VAL A 32 -5.520 -0.188 -0.231 1.00 0.00 C ATOM 0 H VAL A 32 -8.127 -0.376 -0.398 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.599 -1.875 -2.210 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.305 -1.868 0.792 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.911 -2.238 0.255 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.948 -3.538 -0.379 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.324 -2.283 -1.475 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.729 -0.007 0.496 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.163 0.071 -1.228 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.386 0.426 0.015 1.00 0.00 H new ATOM 474 N THR A 33 -8.444 -3.514 -0.008 1.00 0.00 N ATOM 475 CA THR A 33 -9.060 -4.782 0.326 1.00 0.00 C ATOM 476 C THR A 33 -9.882 -5.328 -0.854 1.00 0.00 C ATOM 477 O THR A 33 -9.908 -6.536 -1.094 1.00 0.00 O ATOM 478 CB THR A 33 -9.921 -4.627 1.602 1.00 0.00 C ATOM 479 OG1 THR A 33 -9.056 -4.250 2.692 1.00 0.00 O ATOM 480 CG2 THR A 33 -10.671 -5.899 1.959 1.00 0.00 C ATOM 0 H THR A 33 -8.762 -2.736 0.570 1.00 0.00 H new ATOM 0 HA THR A 33 -8.277 -5.512 0.529 1.00 0.00 H new ATOM 0 HB THR A 33 -10.673 -3.860 1.413 1.00 0.00 H new ATOM 0 HG1 THR A 33 -8.922 -3.279 2.683 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.259 -5.734 2.862 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.335 -6.172 1.139 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.958 -6.705 2.133 1.00 0.00 H new ATOM 488 N ALA A 34 -10.478 -4.435 -1.629 1.00 0.00 N ATOM 489 CA ALA A 34 -11.263 -4.835 -2.787 1.00 0.00 C ATOM 490 C ALA A 34 -10.364 -5.452 -3.851 1.00 0.00 C ATOM 491 O ALA A 34 -10.794 -6.311 -4.626 1.00 0.00 O ATOM 492 CB ALA A 34 -12.027 -3.650 -3.359 1.00 0.00 C ATOM 0 H ALA A 34 -10.433 -3.427 -1.477 1.00 0.00 H new ATOM 0 HA ALA A 34 -11.987 -5.584 -2.466 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.606 -3.974 -4.224 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.700 -3.250 -2.600 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -11.323 -2.876 -3.663 1.00 0.00 H new ATOM 498 N VAL A 35 -9.118 -5.027 -3.872 1.00 0.00 N ATOM 499 CA VAL A 35 -8.163 -5.530 -4.834 1.00 0.00 C ATOM 500 C VAL A 35 -7.359 -6.729 -4.295 1.00 0.00 C ATOM 501 O VAL A 35 -7.276 -7.763 -4.945 1.00 0.00 O ATOM 502 CB VAL A 35 -7.200 -4.406 -5.301 1.00 0.00 C ATOM 503 CG1 VAL A 35 -6.150 -4.935 -6.267 1.00 0.00 C ATOM 504 CG2 VAL A 35 -7.989 -3.281 -5.949 1.00 0.00 C ATOM 0 H VAL A 35 -8.742 -4.330 -3.229 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.740 -5.882 -5.689 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.680 -4.023 -4.423 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.494 -4.120 -6.573 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.562 -5.710 -5.776 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.642 -5.354 -7.145 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.305 -2.497 -6.274 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.533 -3.668 -6.811 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.696 -2.870 -5.228 1.00 0.00 H new ATOM 514 N VAL A 36 -6.800 -6.602 -3.105 1.00 0.00 N ATOM 515 CA VAL A 36 -5.900 -7.649 -2.578 1.00 0.00 C ATOM 516 C VAL A 36 -6.629 -8.744 -1.803 1.00 0.00 C ATOM 517 O VAL A 36 -6.015 -9.723 -1.367 1.00 0.00 O ATOM 518 CB VAL A 36 -4.763 -7.079 -1.693 1.00 0.00 C ATOM 519 CG1 VAL A 36 -3.935 -6.062 -2.459 1.00 0.00 C ATOM 520 CG2 VAL A 36 -5.303 -6.489 -0.396 1.00 0.00 C ATOM 0 H VAL A 36 -6.940 -5.805 -2.484 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.463 -8.094 -3.472 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.109 -7.908 -1.423 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.144 -5.678 -1.815 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.492 -6.538 -3.333 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.574 -5.239 -2.779 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.477 -6.099 0.198 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.998 -5.681 -0.625 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.822 -7.264 0.168 1.00 0.00 H new ATOM 551 N LEU A 40 -4.553 -8.164 4.622 1.00 0.00 N ATOM 552 CA LEU A 40 -3.192 -7.772 4.388 1.00 0.00 C ATOM 553 C LEU A 40 -3.002 -6.297 4.711 1.00 0.00 C ATOM 554 O LEU A 40 -2.469 -5.932 5.771 1.00 0.00 O ATOM 555 CB LEU A 40 -2.828 -8.057 2.927 1.00 0.00 C ATOM 556 CG LEU A 40 -2.899 -9.525 2.477 1.00 0.00 C ATOM 557 CD1 LEU A 40 -2.637 -9.636 0.986 1.00 0.00 C ATOM 558 CD2 LEU A 40 -1.902 -10.378 3.252 1.00 0.00 C ATOM 0 HA LEU A 40 -2.533 -8.346 5.039 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.491 -7.472 2.290 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.815 -7.695 2.751 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.903 -9.895 2.685 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.691 -10.682 0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.386 -9.062 0.441 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.645 -9.244 0.761 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.970 -11.413 2.916 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.892 -10.006 3.078 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.129 -10.326 4.317 1.00 0.00 H new ATOM 570 N ILE A 41 -3.472 -5.445 3.837 1.00 0.00 N ATOM 571 CA ILE A 41 -3.329 -4.048 4.047 1.00 0.00 C ATOM 572 C ILE A 41 -4.456 -3.558 4.930 1.00 0.00 C ATOM 573 O ILE A 41 -5.594 -3.359 4.482 1.00 0.00 O ATOM 574 CB ILE A 41 -3.232 -3.208 2.729 1.00 0.00 C ATOM 575 CG1 ILE A 41 -2.032 -3.640 1.859 1.00 0.00 C ATOM 576 CG2 ILE A 41 -3.117 -1.725 3.045 1.00 0.00 C ATOM 577 CD1 ILE A 41 -2.232 -4.901 1.047 1.00 0.00 C ATOM 0 H ILE A 41 -3.955 -5.705 2.977 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.371 -3.897 4.544 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.147 -3.392 2.167 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.789 -2.825 1.177 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.168 -3.781 2.508 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.051 -1.159 2.116 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.995 -1.403 3.604 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.222 -1.548 3.642 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.329 -5.112 0.474 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.440 -5.736 1.716 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.071 -4.765 0.365 1.00 0.00 H new ATOM 589 N THR A 42 -4.147 -3.467 6.176 1.00 0.00 N ATOM 590 CA THR A 42 -5.043 -2.995 7.182 1.00 0.00 C ATOM 591 C THR A 42 -4.772 -1.513 7.428 1.00 0.00 C ATOM 592 O THR A 42 -3.930 -0.923 6.740 1.00 0.00 O ATOM 593 CB THR A 42 -4.740 -3.775 8.452 1.00 0.00 C ATOM 594 OG1 THR A 42 -3.315 -3.740 8.651 1.00 0.00 O ATOM 595 CG2 THR A 42 -5.195 -5.221 8.319 1.00 0.00 C ATOM 0 H THR A 42 -3.230 -3.728 6.540 1.00 0.00 H new ATOM 0 HA THR A 42 -6.082 -3.127 6.880 1.00 0.00 H new ATOM 0 HB THR A 42 -5.269 -3.331 9.295 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.086 -4.234 9.466 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.968 -5.760 9.239 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.269 -5.249 8.137 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.674 -5.691 7.485 1.00 0.00 H new ATOM 603 N ALA A 43 -5.449 -0.919 8.410 1.00 0.00 N ATOM 604 CA ALA A 43 -5.266 0.493 8.742 1.00 0.00 C ATOM 605 C ALA A 43 -3.827 0.765 9.114 1.00 0.00 C ATOM 606 O ALA A 43 -3.250 1.773 8.704 1.00 0.00 O ATOM 607 CB ALA A 43 -6.191 0.906 9.877 1.00 0.00 C ATOM 0 H ALA A 43 -6.134 -1.399 8.994 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.518 1.085 7.862 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.037 1.960 10.107 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.227 0.747 9.578 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.973 0.307 10.761 1.00 0.00 H new ATOM 613 N GLY A 44 -3.241 -0.174 9.847 1.00 0.00 N ATOM 614 CA GLY A 44 -1.860 -0.071 10.243 1.00 0.00 C ATOM 615 C GLY A 44 -0.938 -0.062 9.047 1.00 0.00 C ATOM 616 O GLY A 44 0.039 0.696 9.007 1.00 0.00 O ATOM 0 H GLY A 44 -3.712 -1.017 10.176 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.714 0.841 10.822 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.604 -0.907 10.894 1.00 0.00 H new ATOM 620 N ILE A 45 -1.268 -0.854 8.041 1.00 0.00 N ATOM 621 CA ILE A 45 -0.449 -0.923 6.865 1.00 0.00 C ATOM 622 C ILE A 45 -0.646 0.335 6.027 1.00 0.00 C ATOM 623 O ILE A 45 0.321 0.924 5.588 1.00 0.00 O ATOM 624 CB ILE A 45 -0.722 -2.203 6.028 1.00 0.00 C ATOM 625 CG1 ILE A 45 -0.517 -3.466 6.887 1.00 0.00 C ATOM 626 CG2 ILE A 45 0.176 -2.256 4.792 1.00 0.00 C ATOM 627 CD1 ILE A 45 0.872 -3.608 7.487 1.00 0.00 C ATOM 0 H ILE A 45 -2.095 -1.451 8.024 1.00 0.00 H new ATOM 0 HA ILE A 45 0.591 -0.982 7.184 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.759 -2.168 5.695 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.248 -3.462 7.695 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.725 -4.343 6.274 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.037 -3.163 4.226 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.014 -1.384 4.166 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.221 -2.259 5.101 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.923 -4.525 8.074 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.611 -3.648 6.687 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.080 -2.753 8.130 1.00 0.00 H new ATOM 639 N VAL A 46 -1.903 0.765 5.866 1.00 0.00 N ATOM 640 CA VAL A 46 -2.231 1.982 5.101 1.00 0.00 C ATOM 641 C VAL A 46 -1.511 3.199 5.687 1.00 0.00 C ATOM 642 O VAL A 46 -0.863 3.961 4.953 1.00 0.00 O ATOM 643 CB VAL A 46 -3.767 2.281 5.078 1.00 0.00 C ATOM 644 CG1 VAL A 46 -4.059 3.598 4.366 1.00 0.00 C ATOM 645 CG2 VAL A 46 -4.528 1.164 4.399 1.00 0.00 C ATOM 0 H VAL A 46 -2.716 0.288 6.256 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.899 1.797 4.080 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.097 2.357 6.114 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.134 3.781 4.365 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.553 4.412 4.885 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.699 3.544 3.339 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.593 1.398 4.397 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.178 1.057 3.372 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.362 0.231 4.938 1.00 0.00 H new ATOM 655 N ALA A 47 -1.618 3.360 7.003 1.00 0.00 N ATOM 656 CA ALA A 47 -1.000 4.471 7.711 1.00 0.00 C ATOM 657 C ALA A 47 0.501 4.481 7.488 1.00 0.00 C ATOM 658 O ALA A 47 1.086 5.518 7.110 1.00 0.00 O ATOM 659 CB ALA A 47 -1.309 4.380 9.192 1.00 0.00 C ATOM 0 H ALA A 47 -2.137 2.722 7.607 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.411 5.402 7.320 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.842 5.216 9.713 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.388 4.416 9.341 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.919 3.442 9.588 1.00 0.00 H new ATOM 665 N THR A 48 1.109 3.334 7.676 1.00 0.00 N ATOM 666 CA THR A 48 2.523 3.186 7.487 1.00 0.00 C ATOM 667 C THR A 48 2.904 3.452 6.021 1.00 0.00 C ATOM 668 O THR A 48 3.770 4.276 5.743 1.00 0.00 O ATOM 669 CB THR A 48 2.983 1.773 7.906 1.00 0.00 C ATOM 670 OG1 THR A 48 2.606 1.529 9.275 1.00 0.00 O ATOM 671 CG2 THR A 48 4.488 1.640 7.771 1.00 0.00 C ATOM 0 H THR A 48 0.633 2.480 7.964 1.00 0.00 H new ATOM 0 HA THR A 48 3.027 3.918 8.117 1.00 0.00 H new ATOM 0 HB THR A 48 2.504 1.044 7.253 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.733 1.085 9.300 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.793 0.637 8.071 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.777 1.812 6.734 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.977 2.375 8.411 1.00 0.00 H new ATOM 679 N ALA A 49 2.199 2.806 5.108 1.00 0.00 N ATOM 680 CA ALA A 49 2.470 2.896 3.687 1.00 0.00 C ATOM 681 C ALA A 49 2.383 4.326 3.164 1.00 0.00 C ATOM 682 O ALA A 49 3.287 4.772 2.452 1.00 0.00 O ATOM 683 CB ALA A 49 1.563 1.964 2.906 1.00 0.00 C ATOM 0 H ALA A 49 1.413 2.197 5.337 1.00 0.00 H new ATOM 0 HA ALA A 49 3.501 2.576 3.537 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.784 2.048 1.842 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.730 0.937 3.231 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.522 2.236 3.083 1.00 0.00 H new ATOM 689 N LYS A 50 1.332 5.073 3.542 1.00 0.00 N ATOM 690 CA LYS A 50 1.228 6.448 3.077 1.00 0.00 C ATOM 691 C LYS A 50 2.349 7.311 3.669 1.00 0.00 C ATOM 692 O LYS A 50 2.835 8.255 3.025 1.00 0.00 O ATOM 693 CB LYS A 50 -0.161 7.099 3.323 1.00 0.00 C ATOM 694 CG LYS A 50 -0.564 7.298 4.784 1.00 0.00 C ATOM 695 CD LYS A 50 -1.669 8.364 4.942 1.00 0.00 C ATOM 696 CE LYS A 50 -2.970 8.028 4.200 1.00 0.00 C ATOM 697 NZ LYS A 50 -3.983 9.121 4.340 1.00 0.00 N ATOM 0 H LYS A 50 0.574 4.755 4.146 1.00 0.00 H new ATOM 0 HA LYS A 50 1.343 6.402 1.994 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.177 8.070 2.828 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.919 6.482 2.840 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.913 6.351 5.195 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.310 7.594 5.364 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.889 8.490 6.002 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.292 9.320 4.579 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.755 7.864 3.144 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.382 7.097 4.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.816 8.899 3.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.269 9.204 5.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.569 10.021 4.023 1.00 0.00 H new ATOM 711 N SER A 51 2.804 6.962 4.860 1.00 0.00 N ATOM 712 CA SER A 51 3.850 7.717 5.477 1.00 0.00 C ATOM 713 C SER A 51 5.186 7.390 4.794 1.00 0.00 C ATOM 714 O SER A 51 6.003 8.282 4.557 1.00 0.00 O ATOM 715 CB SER A 51 3.900 7.451 6.988 1.00 0.00 C ATOM 716 OG SER A 51 4.766 8.365 7.650 1.00 0.00 O ATOM 0 H SER A 51 2.463 6.169 5.403 1.00 0.00 H new ATOM 0 HA SER A 51 3.651 8.781 5.351 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.897 7.531 7.406 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.240 6.431 7.168 1.00 0.00 H new ATOM 0 HG SER A 51 4.775 8.170 8.610 1.00 0.00 H new ATOM 722 N LEU A 52 5.378 6.121 4.427 1.00 0.00 N ATOM 723 CA LEU A 52 6.590 5.681 3.755 1.00 0.00 C ATOM 724 C LEU A 52 6.704 6.316 2.373 1.00 0.00 C ATOM 725 O LEU A 52 7.787 6.735 1.980 1.00 0.00 O ATOM 726 CB LEU A 52 6.629 4.162 3.619 1.00 0.00 C ATOM 727 CG LEU A 52 6.518 3.352 4.908 1.00 0.00 C ATOM 728 CD1 LEU A 52 6.388 1.896 4.577 1.00 0.00 C ATOM 729 CD2 LEU A 52 7.714 3.577 5.819 1.00 0.00 C ATOM 0 H LEU A 52 4.698 5.378 4.589 1.00 0.00 H new ATOM 0 HA LEU A 52 7.433 5.999 4.368 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.818 3.859 2.957 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.562 3.889 3.126 1.00 0.00 H new ATOM 0 HG LEU A 52 5.630 3.688 5.443 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.309 1.319 5.498 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.495 1.739 3.972 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.266 1.570 4.019 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.598 2.983 6.726 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.626 3.277 5.303 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.777 4.633 6.082 1.00 0.00 H new ATOM 741 N ILE A 53 5.585 6.415 1.645 1.00 0.00 N ATOM 742 CA ILE A 53 5.612 7.023 0.307 1.00 0.00 C ATOM 743 C ILE A 53 5.839 8.525 0.405 1.00 0.00 C ATOM 744 O ILE A 53 6.338 9.149 -0.532 1.00 0.00 O ATOM 745 CB ILE A 53 4.332 6.745 -0.558 1.00 0.00 C ATOM 746 CG1 ILE A 53 3.099 7.445 0.025 1.00 0.00 C ATOM 747 CG2 ILE A 53 4.084 5.254 -0.672 1.00 0.00 C ATOM 748 CD1 ILE A 53 1.826 7.270 -0.787 1.00 0.00 C ATOM 0 H ILE A 53 4.668 6.090 1.950 1.00 0.00 H new ATOM 0 HA ILE A 53 6.444 6.542 -0.208 1.00 0.00 H new ATOM 0 HB ILE A 53 4.509 7.152 -1.554 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.926 7.067 1.033 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.312 8.510 0.116 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.193 5.078 -1.275 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.942 4.778 -1.146 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.938 4.832 0.322 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.007 7.799 -0.299 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.974 7.675 -1.788 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.582 6.210 -0.857 1.00 0.00 H new ATOM 760 N LYS A 54 5.475 9.100 1.542 1.00 0.00 N ATOM 761 CA LYS A 54 5.656 10.506 1.756 1.00 0.00 C ATOM 762 C LYS A 54 7.154 10.815 1.945 1.00 0.00 C ATOM 763 O LYS A 54 7.692 11.727 1.318 1.00 0.00 O ATOM 764 CB LYS A 54 4.847 10.960 2.977 1.00 0.00 C ATOM 765 CG LYS A 54 4.712 12.466 3.122 1.00 0.00 C ATOM 766 CD LYS A 54 3.856 13.053 2.018 1.00 0.00 C ATOM 767 CE LYS A 54 3.760 14.556 2.139 1.00 0.00 C ATOM 768 NZ LYS A 54 2.905 15.133 1.088 1.00 0.00 N ATOM 0 H LYS A 54 5.052 8.602 2.326 1.00 0.00 H new ATOM 0 HA LYS A 54 5.296 11.054 0.885 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.850 10.523 2.919 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.317 10.562 3.876 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.271 12.702 4.091 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.700 12.925 3.101 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.279 12.790 1.048 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.857 12.618 2.059 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.359 14.817 3.118 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.758 14.991 2.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.863 16.166 1.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.301 14.905 0.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.946 14.737 1.164 1.00 0.00 H new ATOM 782 N LYS A 55 7.825 10.014 2.764 1.00 0.00 N ATOM 783 CA LYS A 55 9.248 10.236 3.054 1.00 0.00 C ATOM 784 C LYS A 55 10.178 9.534 2.078 1.00 0.00 C ATOM 785 O LYS A 55 10.961 10.176 1.375 1.00 0.00 O ATOM 786 CB LYS A 55 9.606 9.861 4.516 1.00 0.00 C ATOM 787 CG LYS A 55 8.938 8.599 5.044 1.00 0.00 C ATOM 788 CD LYS A 55 9.265 8.327 6.511 1.00 0.00 C ATOM 789 CE LYS A 55 8.743 9.406 7.451 1.00 0.00 C ATOM 790 NZ LYS A 55 7.271 9.534 7.410 1.00 0.00 N ATOM 0 H LYS A 55 7.416 9.209 3.239 1.00 0.00 H new ATOM 0 HA LYS A 55 9.406 11.307 2.925 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.687 9.738 4.588 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.336 10.694 5.164 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.858 8.689 4.928 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.254 7.747 4.442 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.840 7.366 6.799 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.346 8.245 6.627 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.056 9.177 8.470 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.194 10.362 7.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.958 10.182 8.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.981 9.910 6.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.837 8.600 7.556 1.00 0.00 H new ATOM 804 N TYR A 56 10.058 8.248 1.994 1.00 0.00 N ATOM 805 CA TYR A 56 10.989 7.447 1.234 1.00 0.00 C ATOM 806 C TYR A 56 10.588 7.374 -0.222 1.00 0.00 C ATOM 807 O TYR A 56 11.439 7.409 -1.111 1.00 0.00 O ATOM 808 CB TYR A 56 11.088 6.063 1.850 1.00 0.00 C ATOM 809 CG TYR A 56 11.336 6.097 3.341 1.00 0.00 C ATOM 810 CD1 TYR A 56 12.296 6.930 3.892 1.00 0.00 C ATOM 811 CD2 TYR A 56 10.603 5.305 4.186 1.00 0.00 C ATOM 812 CE1 TYR A 56 12.520 6.963 5.245 1.00 0.00 C ATOM 813 CE2 TYR A 56 10.821 5.319 5.540 1.00 0.00 C ATOM 814 CZ TYR A 56 11.782 6.149 6.070 1.00 0.00 C ATOM 815 OH TYR A 56 12.005 6.159 7.427 1.00 0.00 O ATOM 0 H TYR A 56 9.316 7.715 2.447 1.00 0.00 H new ATOM 0 HA TYR A 56 11.971 7.918 1.270 1.00 0.00 H new ATOM 0 HB2 TYR A 56 10.166 5.517 1.653 1.00 0.00 H new ATOM 0 HB3 TYR A 56 11.894 5.512 1.365 1.00 0.00 H new ATOM 0 HD1 TYR A 56 12.880 7.566 3.243 1.00 0.00 H new ATOM 0 HD2 TYR A 56 9.840 4.658 3.778 1.00 0.00 H new ATOM 0 HE1 TYR A 56 13.269 7.622 5.658 1.00 0.00 H new ATOM 0 HE2 TYR A 56 10.240 4.680 6.189 1.00 0.00 H new ATOM 0 HH TYR A 56 11.397 5.526 7.863 1.00 0.00 H new ATOM 825 N GLY A 57 9.308 7.281 -0.463 1.00 0.00 N ATOM 826 CA GLY A 57 8.826 7.287 -1.812 1.00 0.00 C ATOM 827 C GLY A 57 7.928 6.117 -2.118 1.00 0.00 C ATOM 828 O GLY A 57 7.889 5.125 -1.366 1.00 0.00 O ATOM 0 H GLY A 57 8.587 7.201 0.254 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.282 8.214 -1.994 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.675 7.276 -2.496 1.00 0.00 H new ATOM 832 N ALA A 58 7.221 6.218 -3.228 1.00 0.00 N ATOM 833 CA ALA A 58 6.286 5.201 -3.673 1.00 0.00 C ATOM 834 C ALA A 58 7.015 3.926 -4.075 1.00 0.00 C ATOM 835 O ALA A 58 6.450 2.828 -4.031 1.00 0.00 O ATOM 836 CB ALA A 58 5.446 5.730 -4.829 1.00 0.00 C ATOM 0 H ALA A 58 7.281 7.020 -3.855 1.00 0.00 H new ATOM 0 HA ALA A 58 5.623 4.957 -2.843 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.748 4.959 -5.155 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.889 6.608 -4.502 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.099 6.002 -5.658 1.00 0.00 H new ATOM 842 N LYS A 59 8.265 4.069 -4.461 1.00 0.00 N ATOM 843 CA LYS A 59 9.072 2.933 -4.844 1.00 0.00 C ATOM 844 C LYS A 59 9.482 2.141 -3.612 1.00 0.00 C ATOM 845 O LYS A 59 9.523 0.907 -3.638 1.00 0.00 O ATOM 846 CB LYS A 59 10.310 3.386 -5.606 1.00 0.00 C ATOM 847 CG LYS A 59 11.170 2.245 -6.083 1.00 0.00 C ATOM 848 CD LYS A 59 12.394 2.727 -6.814 1.00 0.00 C ATOM 849 CE LYS A 59 13.218 1.552 -7.299 1.00 0.00 C ATOM 850 NZ LYS A 59 12.455 0.670 -8.212 1.00 0.00 N ATOM 0 H LYS A 59 8.746 4.967 -4.518 1.00 0.00 H new ATOM 0 HA LYS A 59 8.477 2.294 -5.496 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.001 3.982 -6.465 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.905 4.036 -4.964 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.473 1.638 -5.230 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.586 1.601 -6.740 1.00 0.00 H new ATOM 0 HD2 LYS A 59 12.099 3.346 -7.661 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.995 3.354 -6.155 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.106 1.921 -7.812 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.562 0.974 -6.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.114 0.061 -8.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.803 0.078 -7.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.911 1.251 -8.882 1.00 0.00 H new ATOM 864 N TYR A 60 9.731 2.856 -2.524 1.00 0.00 N ATOM 865 CA TYR A 60 10.152 2.245 -1.283 1.00 0.00 C ATOM 866 C TYR A 60 9.048 1.370 -0.768 1.00 0.00 C ATOM 867 O TYR A 60 9.262 0.217 -0.400 1.00 0.00 O ATOM 868 CB TYR A 60 10.488 3.323 -0.236 1.00 0.00 C ATOM 869 CG TYR A 60 10.805 2.768 1.143 1.00 0.00 C ATOM 870 CD1 TYR A 60 9.795 2.536 2.066 1.00 0.00 C ATOM 871 CD2 TYR A 60 12.094 2.456 1.503 1.00 0.00 C ATOM 872 CE1 TYR A 60 10.062 2.003 3.303 1.00 0.00 C ATOM 873 CE2 TYR A 60 12.380 1.926 2.747 1.00 0.00 C ATOM 874 CZ TYR A 60 11.359 1.699 3.642 1.00 0.00 C ATOM 875 OH TYR A 60 11.640 1.163 4.881 1.00 0.00 O ATOM 0 H TYR A 60 9.646 3.872 -2.482 1.00 0.00 H new ATOM 0 HA TYR A 60 11.046 1.649 -1.465 1.00 0.00 H new ATOM 0 HB2 TYR A 60 11.341 3.903 -0.588 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.646 4.011 -0.155 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.776 2.780 1.805 1.00 0.00 H new ATOM 0 HD2 TYR A 60 12.897 2.628 0.802 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.260 1.824 4.004 1.00 0.00 H new ATOM 0 HE2 TYR A 60 13.399 1.691 3.016 1.00 0.00 H new ATOM 0 HH TYR A 60 12.604 1.006 4.958 1.00 0.00 H new ATOM 885 N ALA A 61 7.860 1.926 -0.761 1.00 0.00 N ATOM 886 CA ALA A 61 6.715 1.237 -0.260 1.00 0.00 C ATOM 887 C ALA A 61 6.380 0.032 -1.104 1.00 0.00 C ATOM 888 O ALA A 61 5.939 -0.960 -0.579 1.00 0.00 O ATOM 889 CB ALA A 61 5.549 2.160 -0.154 1.00 0.00 C ATOM 0 H ALA A 61 7.669 2.868 -1.104 1.00 0.00 H new ATOM 0 HA ALA A 61 6.955 0.876 0.740 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.687 1.615 0.230 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.793 2.978 0.525 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.314 2.564 -1.139 1.00 0.00 H new ATOM 895 N ALA A 62 6.622 0.116 -2.411 1.00 0.00 N ATOM 896 CA ALA A 62 6.383 -1.012 -3.308 1.00 0.00 C ATOM 897 C ALA A 62 7.210 -2.209 -2.860 1.00 0.00 C ATOM 898 O ALA A 62 6.704 -3.339 -2.755 1.00 0.00 O ATOM 899 CB ALA A 62 6.717 -0.637 -4.747 1.00 0.00 C ATOM 0 H ALA A 62 6.983 0.952 -2.871 1.00 0.00 H new ATOM 0 HA ALA A 62 5.326 -1.277 -3.267 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.532 -1.491 -5.398 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.092 0.199 -5.059 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.767 -0.351 -4.814 1.00 0.00 H new ATOM 905 N ALA A 63 8.460 -1.943 -2.535 1.00 0.00 N ATOM 906 CA ALA A 63 9.369 -2.962 -2.059 1.00 0.00 C ATOM 907 C ALA A 63 8.967 -3.415 -0.654 1.00 0.00 C ATOM 908 O ALA A 63 8.858 -4.615 -0.385 1.00 0.00 O ATOM 909 CB ALA A 63 10.800 -2.437 -2.066 1.00 0.00 C ATOM 0 H ALA A 63 8.873 -1.012 -2.594 1.00 0.00 H new ATOM 0 HA ALA A 63 9.315 -3.822 -2.727 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.474 -3.214 -1.705 1.00 0.00 H new ATOM 0 HB2 ALA A 63 11.080 -2.156 -3.081 1.00 0.00 H new ATOM 0 HB3 ALA A 63 10.871 -1.565 -1.416 1.00 0.00 H new ATOM 915 N TRP A 64 8.711 -2.442 0.217 1.00 0.00 N ATOM 916 CA TRP A 64 8.326 -2.683 1.613 1.00 0.00 C ATOM 917 C TRP A 64 7.068 -3.556 1.709 1.00 0.00 C ATOM 918 O TRP A 64 7.057 -4.566 2.436 1.00 0.00 O ATOM 919 CB TRP A 64 8.107 -1.342 2.347 1.00 0.00 C ATOM 920 CG TRP A 64 7.711 -1.482 3.791 1.00 0.00 C ATOM 921 CD1 TRP A 64 8.546 -1.548 4.860 1.00 0.00 C ATOM 922 CD2 TRP A 64 6.372 -1.568 4.324 1.00 0.00 C ATOM 923 NE1 TRP A 64 7.820 -1.668 6.018 1.00 0.00 N ATOM 924 CE2 TRP A 64 6.487 -1.687 5.715 1.00 0.00 C ATOM 925 CE3 TRP A 64 5.096 -1.555 3.755 1.00 0.00 C ATOM 926 CZ2 TRP A 64 5.374 -1.796 6.547 1.00 0.00 C ATOM 927 CZ3 TRP A 64 3.999 -1.660 4.582 1.00 0.00 C ATOM 928 CH2 TRP A 64 4.141 -1.779 5.958 1.00 0.00 C ATOM 0 H TRP A 64 8.764 -1.453 -0.025 1.00 0.00 H new ATOM 0 HA TRP A 64 9.141 -3.223 2.094 1.00 0.00 H new ATOM 0 HB2 TRP A 64 9.024 -0.756 2.290 1.00 0.00 H new ATOM 0 HB3 TRP A 64 7.335 -0.777 1.824 1.00 0.00 H new ATOM 0 HD1 TRP A 64 9.624 -1.511 4.806 1.00 0.00 H new ATOM 0 HE1 TRP A 64 8.213 -1.733 6.957 1.00 0.00 H new ATOM 0 HE3 TRP A 64 4.972 -1.464 2.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 5.482 -1.890 7.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 3.009 -1.650 4.151 1.00 0.00 H new ATOM 0 HH2 TRP A 64 3.259 -1.860 6.576 1.00 0.00 H new