USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 579 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -139:sc= -0.29 (180deg=-1.01) USER MOD Single : A 11 SER OG : rot 110:sc= -1 USER MOD Single : A 12 ASN : amide:sc= 0.586 K(o=0.59,f=0) USER MOD Single : A 16 ASN : amide:sc= -2.23! C(o=-2.2!,f=-1.8!) USER MOD Single : A 18 LYS NZ :NH3+ -105:sc= 0 (180deg=-0.51) USER MOD Single : A 19 THR OG1 : rot -172:sc= 0.117 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0329 USER MOD Single : A 28 LYS NZ :NH3+ -157:sc= -0.389 (180deg=-1.05) USER MOD Single : A 29 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0766) USER MOD Single : A 33 THR OG1 : rot -90:sc= -1.11 USER MOD Single : A 46 ASN : amide:sc= -1.09 X(o=-1.1,f=-1) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN :FLIP amide:sc= -2.32 F(o=-5.1!,f=-2.3) USER MOD Single : A 58 LYS NZ :NH3+ 139:sc= -0.164 (180deg=-1.47) USER MOD Single : A 59 LYS NZ :NH3+ 156:sc= -1.21 (180deg=-3.31!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -108:sc= 1.26 USER MOD Single : A 72 THR OG1 : rot 162:sc= 0.143! USER MOD Single : A 76 GLN : amide:sc= -0.306 K(o=-0.31,f=-1.5) USER MOD Single : A 80 SER OG : rot 98:sc= 1.14 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 53 N VAL A 4 100.562 114.432 -41.097 1.00 0.00 N ATOM 54 CA VAL A 4 101.758 114.059 -40.359 1.00 0.00 C ATOM 55 C VAL A 4 102.727 115.241 -40.166 1.00 0.00 C ATOM 56 O VAL A 4 103.342 115.382 -39.119 1.00 0.00 O ATOM 57 CB VAL A 4 102.497 112.949 -41.101 1.00 0.00 C ATOM 58 CG1 VAL A 4 101.637 111.692 -41.244 1.00 0.00 C ATOM 59 CG2 VAL A 4 103.001 113.438 -42.455 1.00 0.00 C ATOM 0 HA VAL A 4 101.429 113.723 -39.376 1.00 0.00 H new ATOM 0 HB VAL A 4 103.365 112.675 -40.501 1.00 0.00 H new ATOM 0 HG11 VAL A 4 102.199 110.925 -41.778 1.00 0.00 H new ATOM 0 HG12 VAL A 4 101.367 111.322 -40.255 1.00 0.00 H new ATOM 0 HG13 VAL A 4 100.732 111.932 -41.801 1.00 0.00 H new ATOM 0 HG21 VAL A 4 103.524 112.628 -42.963 1.00 0.00 H new ATOM 0 HG22 VAL A 4 102.156 113.762 -43.063 1.00 0.00 H new ATOM 0 HG23 VAL A 4 103.684 114.275 -42.308 1.00 0.00 H new ATOM 69 N THR A 5 102.856 116.078 -41.209 1.00 0.00 N ATOM 70 CA THR A 5 103.730 117.228 -41.024 1.00 0.00 C ATOM 71 C THR A 5 103.288 118.138 -39.852 1.00 0.00 C ATOM 72 O THR A 5 104.114 118.663 -39.116 1.00 0.00 O ATOM 73 CB THR A 5 103.946 117.972 -42.342 1.00 0.00 C ATOM 74 OG1 THR A 5 105.172 118.673 -42.343 1.00 0.00 O ATOM 75 CG2 THR A 5 102.786 118.891 -42.706 1.00 0.00 C ATOM 0 H THR A 5 102.402 115.988 -42.118 1.00 0.00 H new ATOM 0 HA THR A 5 104.707 116.854 -40.719 1.00 0.00 H new ATOM 0 HB THR A 5 103.989 117.208 -43.118 1.00 0.00 H new ATOM 0 HG1 THR A 5 105.283 119.137 -43.199 1.00 0.00 H new ATOM 0 HG21 THR A 5 103.000 119.390 -43.651 1.00 0.00 H new ATOM 0 HG22 THR A 5 101.873 118.303 -42.804 1.00 0.00 H new ATOM 0 HG23 THR A 5 102.654 119.638 -41.923 1.00 0.00 H new ATOM 83 N TYR A 6 101.956 118.297 -39.725 1.00 0.00 N ATOM 84 CA TYR A 6 101.430 118.913 -38.514 1.00 0.00 C ATOM 85 C TYR A 6 101.784 118.112 -37.247 1.00 0.00 C ATOM 86 O TYR A 6 102.046 118.697 -36.206 1.00 0.00 O ATOM 87 CB TYR A 6 99.912 119.100 -38.597 1.00 0.00 C ATOM 88 CG TYR A 6 99.527 120.181 -39.573 1.00 0.00 C ATOM 89 CD1 TYR A 6 99.984 121.507 -39.370 1.00 0.00 C ATOM 90 CD2 TYR A 6 98.708 119.897 -40.697 1.00 0.00 C ATOM 91 CE1 TYR A 6 99.629 122.537 -40.275 1.00 0.00 C ATOM 92 CE2 TYR A 6 98.351 120.924 -41.604 1.00 0.00 C ATOM 93 CZ TYR A 6 98.824 122.242 -41.401 1.00 0.00 C ATOM 94 OH TYR A 6 98.506 123.238 -42.303 1.00 0.00 O ATOM 0 H TYR A 6 101.260 118.019 -40.417 1.00 0.00 H new ATOM 0 HA TYR A 6 101.907 119.890 -38.439 1.00 0.00 H new ATOM 0 HB2 TYR A 6 99.447 118.160 -38.895 1.00 0.00 H new ATOM 0 HB3 TYR A 6 99.523 119.348 -37.609 1.00 0.00 H new ATOM 0 HD1 TYR A 6 100.608 121.734 -38.518 1.00 0.00 H new ATOM 0 HD2 TYR A 6 98.354 118.890 -40.862 1.00 0.00 H new ATOM 0 HE1 TYR A 6 99.972 123.547 -40.106 1.00 0.00 H new ATOM 0 HE2 TYR A 6 97.718 120.701 -42.450 1.00 0.00 H new ATOM 0 HH TYR A 6 97.948 122.866 -43.017 1.00 0.00 H new ATOM 104 N ILE A 7 101.762 116.765 -37.358 1.00 0.00 N ATOM 105 CA ILE A 7 102.192 115.975 -36.208 1.00 0.00 C ATOM 106 C ILE A 7 103.641 116.301 -35.794 1.00 0.00 C ATOM 107 O ILE A 7 103.948 116.455 -34.618 1.00 0.00 O ATOM 108 CB ILE A 7 102.064 114.484 -36.516 1.00 0.00 C ATOM 109 CG1 ILE A 7 100.641 114.131 -36.940 1.00 0.00 C ATOM 110 CG2 ILE A 7 102.500 113.641 -35.318 1.00 0.00 C ATOM 111 CD1 ILE A 7 99.644 114.402 -35.819 1.00 0.00 C ATOM 0 H ILE A 7 101.469 116.238 -38.181 1.00 0.00 H new ATOM 0 HA ILE A 7 101.541 116.234 -35.373 1.00 0.00 H new ATOM 0 HB ILE A 7 102.728 114.257 -37.350 1.00 0.00 H new ATOM 0 HG12 ILE A 7 100.367 114.712 -37.821 1.00 0.00 H new ATOM 0 HG13 ILE A 7 100.594 113.080 -37.224 1.00 0.00 H new ATOM 0 HG21 ILE A 7 102.400 112.583 -35.562 1.00 0.00 H new ATOM 0 HG22 ILE A 7 103.540 113.861 -35.077 1.00 0.00 H new ATOM 0 HG23 ILE A 7 101.871 113.877 -34.459 1.00 0.00 H new ATOM 0 HD11 ILE A 7 98.640 114.140 -36.154 1.00 0.00 H new ATOM 0 HD12 ILE A 7 99.904 113.801 -34.947 1.00 0.00 H new ATOM 0 HD13 ILE A 7 99.674 115.459 -35.553 1.00 0.00 H new ATOM 123 N ILE A 8 104.503 116.393 -36.828 1.00 0.00 N ATOM 124 CA ILE A 8 105.868 116.844 -36.612 1.00 0.00 C ATOM 125 C ILE A 8 105.894 118.223 -35.930 1.00 0.00 C ATOM 126 O ILE A 8 106.569 118.421 -34.929 1.00 0.00 O ATOM 127 CB ILE A 8 106.601 116.924 -37.958 1.00 0.00 C ATOM 128 CG1 ILE A 8 106.548 115.606 -38.741 1.00 0.00 C ATOM 129 CG2 ILE A 8 108.051 117.363 -37.751 1.00 0.00 C ATOM 130 CD1 ILE A 8 106.836 115.808 -40.230 1.00 0.00 C ATOM 0 H ILE A 8 104.273 116.164 -37.795 1.00 0.00 H new ATOM 0 HA ILE A 8 106.367 116.128 -35.959 1.00 0.00 H new ATOM 0 HB ILE A 8 106.080 117.670 -38.558 1.00 0.00 H new ATOM 0 HG12 ILE A 8 107.273 114.908 -38.324 1.00 0.00 H new ATOM 0 HG13 ILE A 8 105.564 115.153 -38.621 1.00 0.00 H new ATOM 0 HG21 ILE A 8 108.557 117.415 -38.715 1.00 0.00 H new ATOM 0 HG22 ILE A 8 108.070 118.345 -37.278 1.00 0.00 H new ATOM 0 HG23 ILE A 8 108.562 116.643 -37.112 1.00 0.00 H new ATOM 0 HD11 ILE A 8 106.788 114.848 -40.744 1.00 0.00 H new ATOM 0 HD12 ILE A 8 106.095 116.485 -40.655 1.00 0.00 H new ATOM 0 HD13 ILE A 8 107.831 116.236 -40.353 1.00 0.00 H new ATOM 142 N LYS A 9 105.110 119.150 -36.519 1.00 0.00 N ATOM 143 CA LYS A 9 105.024 120.494 -35.972 1.00 0.00 C ATOM 144 C LYS A 9 104.614 120.486 -34.487 1.00 0.00 C ATOM 145 O LYS A 9 105.257 121.099 -33.643 1.00 0.00 O ATOM 146 CB LYS A 9 103.961 121.255 -36.760 1.00 0.00 C ATOM 147 CG LYS A 9 104.070 122.768 -36.578 1.00 0.00 C ATOM 148 CD LYS A 9 104.425 123.480 -37.884 1.00 0.00 C ATOM 149 CE LYS A 9 105.582 122.793 -38.614 1.00 0.00 C ATOM 150 NZ LYS A 9 105.154 122.073 -39.807 1.00 0.00 N ATOM 0 H LYS A 9 104.545 118.986 -37.353 1.00 0.00 H new ATOM 0 HA LYS A 9 106.005 120.962 -36.050 1.00 0.00 H new ATOM 0 HB2 LYS A 9 104.054 121.012 -37.818 1.00 0.00 H new ATOM 0 HB3 LYS A 9 102.972 120.924 -36.443 1.00 0.00 H new ATOM 0 HG2 LYS A 9 103.125 123.156 -36.199 1.00 0.00 H new ATOM 0 HG3 LYS A 9 104.829 122.989 -35.827 1.00 0.00 H new ATOM 0 HD2 LYS A 9 103.550 123.504 -38.533 1.00 0.00 H new ATOM 0 HD3 LYS A 9 104.693 124.515 -37.672 1.00 0.00 H new ATOM 0 HE2 LYS A 9 106.323 123.541 -38.894 1.00 0.00 H new ATOM 0 HE3 LYS A 9 106.073 122.098 -37.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 105.659 121.166 -39.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 104.130 121.897 -39.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 105.367 122.642 -40.651 1.00 0.00 H new ATOM 164 N ALA A 10 103.511 119.757 -34.229 1.00 0.00 N ATOM 165 CA ALA A 10 102.907 119.818 -32.908 1.00 0.00 C ATOM 166 C ALA A 10 103.818 119.173 -31.854 1.00 0.00 C ATOM 167 O ALA A 10 104.037 119.723 -30.782 1.00 0.00 O ATOM 168 CB ALA A 10 101.553 119.107 -32.916 1.00 0.00 C ATOM 0 H ALA A 10 103.043 119.145 -34.897 1.00 0.00 H new ATOM 0 HA ALA A 10 102.767 120.868 -32.651 1.00 0.00 H new ATOM 0 HB1 ALA A 10 101.109 119.158 -31.922 1.00 0.00 H new ATOM 0 HB2 ALA A 10 100.892 119.592 -33.634 1.00 0.00 H new ATOM 0 HB3 ALA A 10 101.692 118.063 -33.198 1.00 0.00 H new ATOM 174 N SER A 11 104.334 117.978 -32.218 1.00 0.00 N ATOM 175 CA SER A 11 105.287 117.305 -31.352 1.00 0.00 C ATOM 176 C SER A 11 106.403 118.247 -30.869 1.00 0.00 C ATOM 177 O SER A 11 106.649 118.398 -29.678 1.00 0.00 O ATOM 178 CB SER A 11 105.899 116.116 -32.110 1.00 0.00 C ATOM 179 OG SER A 11 106.998 115.483 -31.465 1.00 0.00 O ATOM 0 H SER A 11 104.107 117.484 -33.081 1.00 0.00 H new ATOM 0 HA SER A 11 104.753 116.960 -30.467 1.00 0.00 H new ATOM 0 HB2 SER A 11 105.119 115.373 -32.276 1.00 0.00 H new ATOM 0 HB3 SER A 11 106.225 116.461 -33.091 1.00 0.00 H new ATOM 0 HG SER A 11 106.726 114.595 -31.152 1.00 0.00 H new ATOM 185 N ASN A 12 107.052 118.864 -31.873 1.00 0.00 N ATOM 186 CA ASN A 12 108.173 119.744 -31.546 1.00 0.00 C ATOM 187 C ASN A 12 108.837 120.404 -32.777 1.00 0.00 C ATOM 188 O ASN A 12 109.434 121.468 -32.666 1.00 0.00 O ATOM 189 CB ASN A 12 109.233 119.011 -30.708 1.00 0.00 C ATOM 190 CG ASN A 12 109.697 119.893 -29.546 1.00 0.00 C ATOM 191 OD1 ASN A 12 109.611 119.527 -28.380 1.00 0.00 O ATOM 192 ND2 ASN A 12 110.195 121.077 -29.948 1.00 0.00 N ATOM 0 H ASN A 12 106.831 118.774 -32.865 1.00 0.00 H new ATOM 0 HA ASN A 12 107.737 120.552 -30.958 1.00 0.00 H new ATOM 0 HB2 ASN A 12 108.821 118.078 -30.323 1.00 0.00 H new ATOM 0 HB3 ASN A 12 110.084 118.748 -31.336 1.00 0.00 H new ATOM 0 HD21 ASN A 12 110.537 121.747 -29.259 1.00 0.00 H new ATOM 0 HD22 ASN A 12 110.231 121.304 -30.942 1.00 0.00 H new ATOM 199 N ASP A 13 108.708 119.735 -33.936 1.00 0.00 N ATOM 200 CA ASP A 13 109.888 119.242 -34.619 1.00 0.00 C ATOM 201 C ASP A 13 110.603 118.203 -33.750 1.00 0.00 C ATOM 202 O ASP A 13 111.701 118.425 -33.255 1.00 0.00 O ATOM 203 CB ASP A 13 110.828 120.405 -34.936 1.00 0.00 C ATOM 204 CG ASP A 13 111.680 120.066 -36.161 1.00 0.00 C ATOM 205 OD1 ASP A 13 111.159 120.133 -37.274 1.00 0.00 O ATOM 206 OD2 ASP A 13 112.853 119.740 -35.988 1.00 0.00 O ATOM 0 H ASP A 13 107.821 119.534 -34.398 1.00 0.00 H new ATOM 0 HA ASP A 13 109.587 118.767 -35.553 1.00 0.00 H new ATOM 0 HB2 ASP A 13 110.251 121.310 -35.123 1.00 0.00 H new ATOM 0 HB3 ASP A 13 111.471 120.608 -34.080 1.00 0.00 H new ATOM 211 N VAL A 14 109.906 117.058 -33.602 1.00 0.00 N ATOM 212 CA VAL A 14 110.602 115.779 -33.565 1.00 0.00 C ATOM 213 C VAL A 14 110.396 115.050 -34.898 1.00 0.00 C ATOM 214 O VAL A 14 111.328 114.854 -35.669 1.00 0.00 O ATOM 215 CB VAL A 14 110.067 114.949 -32.397 1.00 0.00 C ATOM 216 CG1 VAL A 14 110.573 113.506 -32.441 1.00 0.00 C ATOM 217 CG2 VAL A 14 110.427 115.597 -31.059 1.00 0.00 C ATOM 0 H VAL A 14 108.892 117.003 -33.510 1.00 0.00 H new ATOM 0 HA VAL A 14 111.671 115.935 -33.419 1.00 0.00 H new ATOM 0 HB VAL A 14 108.982 114.922 -32.495 1.00 0.00 H new ATOM 0 HG11 VAL A 14 110.169 112.953 -31.593 1.00 0.00 H new ATOM 0 HG12 VAL A 14 110.250 113.035 -33.369 1.00 0.00 H new ATOM 0 HG13 VAL A 14 111.662 113.501 -32.392 1.00 0.00 H new ATOM 0 HG21 VAL A 14 110.036 114.989 -30.243 1.00 0.00 H new ATOM 0 HG22 VAL A 14 111.511 115.670 -30.970 1.00 0.00 H new ATOM 0 HG23 VAL A 14 109.991 116.595 -31.009 1.00 0.00 H new ATOM 227 N LEU A 15 109.123 114.661 -35.120 1.00 0.00 N ATOM 228 CA LEU A 15 108.887 113.534 -36.010 1.00 0.00 C ATOM 229 C LEU A 15 109.431 113.854 -37.410 1.00 0.00 C ATOM 230 O LEU A 15 109.875 114.961 -37.693 1.00 0.00 O ATOM 231 CB LEU A 15 107.387 113.223 -36.122 1.00 0.00 C ATOM 232 CG LEU A 15 106.731 112.651 -34.860 1.00 0.00 C ATOM 233 CD1 LEU A 15 107.291 111.282 -34.465 1.00 0.00 C ATOM 234 CD2 LEU A 15 106.801 113.624 -33.686 1.00 0.00 C ATOM 0 H LEU A 15 108.292 115.091 -34.715 1.00 0.00 H new ATOM 0 HA LEU A 15 109.399 112.666 -35.595 1.00 0.00 H new ATOM 0 HB2 LEU A 15 106.864 114.139 -36.398 1.00 0.00 H new ATOM 0 HB3 LEU A 15 107.241 112.515 -36.938 1.00 0.00 H new ATOM 0 HG LEU A 15 105.681 112.506 -35.115 1.00 0.00 H new ATOM 0 HD11 LEU A 15 106.788 110.929 -33.565 1.00 0.00 H new ATOM 0 HD12 LEU A 15 107.124 110.573 -35.276 1.00 0.00 H new ATOM 0 HD13 LEU A 15 108.360 111.368 -34.273 1.00 0.00 H new ATOM 0 HD21 LEU A 15 106.324 113.177 -32.814 1.00 0.00 H new ATOM 0 HD22 LEU A 15 107.844 113.843 -33.457 1.00 0.00 H new ATOM 0 HD23 LEU A 15 106.285 114.548 -33.948 1.00 0.00 H new ATOM 246 N ASN A 16 109.366 112.810 -38.259 1.00 0.00 N ATOM 247 CA ASN A 16 109.282 113.045 -39.693 1.00 0.00 C ATOM 248 C ASN A 16 107.827 112.836 -40.142 1.00 0.00 C ATOM 249 O ASN A 16 106.898 112.907 -39.348 1.00 0.00 O ATOM 250 CB ASN A 16 110.249 112.095 -40.412 1.00 0.00 C ATOM 251 CG ASN A 16 110.624 112.676 -41.783 1.00 0.00 C ATOM 252 OD1 ASN A 16 111.176 113.765 -41.886 1.00 0.00 O ATOM 253 ND2 ASN A 16 110.290 111.886 -42.822 1.00 0.00 N ATOM 0 H ASN A 16 109.370 111.829 -37.978 1.00 0.00 H new ATOM 0 HA ASN A 16 109.570 114.066 -39.943 1.00 0.00 H new ATOM 0 HB2 ASN A 16 111.146 111.950 -39.810 1.00 0.00 H new ATOM 0 HB3 ASN A 16 109.787 111.116 -40.536 1.00 0.00 H new ATOM 0 HD21 ASN A 16 110.496 112.183 -43.776 1.00 0.00 H new ATOM 0 HD22 ASN A 16 109.831 110.990 -42.655 1.00 0.00 H new ATOM 260 N GLU A 17 107.692 112.571 -41.455 1.00 0.00 N ATOM 261 CA GLU A 17 106.460 111.958 -41.925 1.00 0.00 C ATOM 262 C GLU A 17 106.225 110.599 -41.243 1.00 0.00 C ATOM 263 O GLU A 17 105.193 110.361 -40.628 1.00 0.00 O ATOM 264 CB GLU A 17 106.522 111.779 -43.443 1.00 0.00 C ATOM 265 CG GLU A 17 106.434 113.116 -44.178 1.00 0.00 C ATOM 266 CD GLU A 17 105.924 112.897 -45.604 1.00 0.00 C ATOM 267 OE1 GLU A 17 104.855 112.310 -45.762 1.00 0.00 O ATOM 268 OE2 GLU A 17 106.603 113.315 -46.541 1.00 0.00 O ATOM 0 H GLU A 17 108.392 112.765 -42.172 1.00 0.00 H new ATOM 0 HA GLU A 17 105.628 112.613 -41.669 1.00 0.00 H new ATOM 0 HB2 GLU A 17 107.452 111.277 -43.712 1.00 0.00 H new ATOM 0 HB3 GLU A 17 105.706 111.133 -43.766 1.00 0.00 H new ATOM 0 HG2 GLU A 17 105.765 113.791 -43.644 1.00 0.00 H new ATOM 0 HG3 GLU A 17 107.414 113.592 -44.203 1.00 0.00 H new ATOM 275 N LYS A 18 107.246 109.735 -41.395 1.00 0.00 N ATOM 276 CA LYS A 18 107.033 108.322 -41.127 1.00 0.00 C ATOM 277 C LYS A 18 106.695 108.064 -39.649 1.00 0.00 C ATOM 278 O LYS A 18 105.731 107.385 -39.325 1.00 0.00 O ATOM 279 CB LYS A 18 108.296 107.552 -41.503 1.00 0.00 C ATOM 280 CG LYS A 18 108.612 107.677 -42.989 1.00 0.00 C ATOM 281 CD LYS A 18 109.697 106.690 -43.414 1.00 0.00 C ATOM 282 CE LYS A 18 110.556 107.239 -44.553 1.00 0.00 C ATOM 283 NZ LYS A 18 111.944 106.800 -44.465 1.00 0.00 N ATOM 0 H LYS A 18 108.189 109.988 -41.691 1.00 0.00 H new ATOM 0 HA LYS A 18 106.185 107.985 -41.723 1.00 0.00 H new ATOM 0 HB2 LYS A 18 109.137 107.926 -40.919 1.00 0.00 H new ATOM 0 HB3 LYS A 18 108.171 106.500 -41.245 1.00 0.00 H new ATOM 0 HG2 LYS A 18 107.708 107.498 -43.571 1.00 0.00 H new ATOM 0 HG3 LYS A 18 108.937 108.694 -43.209 1.00 0.00 H new ATOM 0 HD2 LYS A 18 110.333 106.460 -42.559 1.00 0.00 H new ATOM 0 HD3 LYS A 18 109.234 105.755 -43.728 1.00 0.00 H new ATOM 0 HE2 LYS A 18 110.137 106.919 -45.507 1.00 0.00 H new ATOM 0 HE3 LYS A 18 110.521 108.328 -44.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 112.536 107.587 -44.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 112.015 106.006 -43.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 112.271 106.494 -45.403 1.00 0.00 H new ATOM 297 N THR A 19 107.534 108.652 -38.776 1.00 0.00 N ATOM 298 CA THR A 19 107.264 108.499 -37.355 1.00 0.00 C ATOM 299 C THR A 19 105.934 109.151 -36.920 1.00 0.00 C ATOM 300 O THR A 19 105.253 108.659 -36.030 1.00 0.00 O ATOM 301 CB THR A 19 108.438 109.073 -36.563 1.00 0.00 C ATOM 302 OG1 THR A 19 108.677 110.416 -36.925 1.00 0.00 O ATOM 303 CG2 THR A 19 109.702 108.229 -36.757 1.00 0.00 C ATOM 0 H THR A 19 108.356 109.205 -39.019 1.00 0.00 H new ATOM 0 HA THR A 19 107.155 107.435 -37.147 1.00 0.00 H new ATOM 0 HB THR A 19 108.173 109.044 -35.506 1.00 0.00 H new ATOM 0 HG1 THR A 19 109.505 110.726 -36.503 1.00 0.00 H new ATOM 0 HG21 THR A 19 110.520 108.662 -36.182 1.00 0.00 H new ATOM 0 HG22 THR A 19 109.516 107.211 -36.414 1.00 0.00 H new ATOM 0 HG23 THR A 19 109.970 108.213 -37.813 1.00 0.00 H new ATOM 311 N ALA A 20 105.611 110.278 -37.581 1.00 0.00 N ATOM 312 CA ALA A 20 104.332 110.918 -37.332 1.00 0.00 C ATOM 313 C ALA A 20 103.142 110.007 -37.697 1.00 0.00 C ATOM 314 O ALA A 20 102.194 109.880 -36.933 1.00 0.00 O ATOM 315 CB ALA A 20 104.280 112.196 -38.169 1.00 0.00 C ATOM 0 H ALA A 20 106.205 110.743 -38.268 1.00 0.00 H new ATOM 0 HA ALA A 20 104.248 111.136 -36.267 1.00 0.00 H new ATOM 0 HB1 ALA A 20 103.328 112.701 -38.003 1.00 0.00 H new ATOM 0 HB2 ALA A 20 105.097 112.856 -37.877 1.00 0.00 H new ATOM 0 HB3 ALA A 20 104.378 111.944 -39.225 1.00 0.00 H new ATOM 321 N THR A 21 103.235 109.385 -38.891 1.00 0.00 N ATOM 322 CA THR A 21 102.159 108.476 -39.286 1.00 0.00 C ATOM 323 C THR A 21 102.092 107.213 -38.397 1.00 0.00 C ATOM 324 O THR A 21 101.019 106.714 -38.081 1.00 0.00 O ATOM 325 CB THR A 21 102.261 108.135 -40.785 1.00 0.00 C ATOM 326 OG1 THR A 21 100.984 107.870 -41.325 1.00 0.00 O ATOM 327 CG2 THR A 21 103.240 106.999 -41.123 1.00 0.00 C ATOM 0 H THR A 21 103.999 109.490 -39.558 1.00 0.00 H new ATOM 0 HA THR A 21 101.214 108.995 -39.127 1.00 0.00 H new ATOM 0 HB THR A 21 102.682 109.025 -41.252 1.00 0.00 H new ATOM 0 HG1 THR A 21 101.069 107.657 -42.278 1.00 0.00 H new ATOM 0 HG21 THR A 21 103.244 106.831 -42.200 1.00 0.00 H new ATOM 0 HG22 THR A 21 104.243 107.273 -40.795 1.00 0.00 H new ATOM 0 HG23 THR A 21 102.928 106.087 -40.614 1.00 0.00 H new ATOM 335 N ILE A 22 103.291 106.728 -38.030 1.00 0.00 N ATOM 336 CA ILE A 22 103.395 105.496 -37.261 1.00 0.00 C ATOM 337 C ILE A 22 102.869 105.685 -35.827 1.00 0.00 C ATOM 338 O ILE A 22 102.043 104.920 -35.342 1.00 0.00 O ATOM 339 CB ILE A 22 104.864 105.073 -37.232 1.00 0.00 C ATOM 340 CG1 ILE A 22 105.384 104.795 -38.646 1.00 0.00 C ATOM 341 CG2 ILE A 22 105.116 103.904 -36.270 1.00 0.00 C ATOM 342 CD1 ILE A 22 105.391 103.313 -39.029 1.00 0.00 C ATOM 0 H ILE A 22 104.183 107.169 -38.254 1.00 0.00 H new ATOM 0 HA ILE A 22 102.785 104.725 -37.732 1.00 0.00 H new ATOM 0 HB ILE A 22 105.438 105.910 -36.836 1.00 0.00 H new ATOM 0 HG12 ILE A 22 104.769 105.341 -39.362 1.00 0.00 H new ATOM 0 HG13 ILE A 22 106.398 105.186 -38.732 1.00 0.00 H new ATOM 0 HG21 ILE A 22 106.174 103.641 -36.286 1.00 0.00 H new ATOM 0 HG22 ILE A 22 104.830 104.196 -35.260 1.00 0.00 H new ATOM 0 HG23 ILE A 22 104.524 103.043 -36.580 1.00 0.00 H new ATOM 0 HD11 ILE A 22 105.773 103.201 -40.044 1.00 0.00 H new ATOM 0 HD12 ILE A 22 106.029 102.762 -38.339 1.00 0.00 H new ATOM 0 HD13 ILE A 22 104.376 102.919 -38.978 1.00 0.00 H new ATOM 354 N LEU A 23 103.397 106.748 -35.186 1.00 0.00 N ATOM 355 CA LEU A 23 102.869 107.151 -33.890 1.00 0.00 C ATOM 356 C LEU A 23 101.333 107.320 -33.911 1.00 0.00 C ATOM 357 O LEU A 23 100.659 107.024 -32.934 1.00 0.00 O ATOM 358 CB LEU A 23 103.552 108.466 -33.472 1.00 0.00 C ATOM 359 CG LEU A 23 102.819 109.259 -32.383 1.00 0.00 C ATOM 360 CD1 LEU A 23 102.674 108.428 -31.108 1.00 0.00 C ATOM 361 CD2 LEU A 23 103.536 110.580 -32.095 1.00 0.00 C ATOM 0 H LEU A 23 104.164 107.320 -35.540 1.00 0.00 H new ATOM 0 HA LEU A 23 103.084 106.365 -33.166 1.00 0.00 H new ATOM 0 HB2 LEU A 23 104.558 108.239 -33.120 1.00 0.00 H new ATOM 0 HB3 LEU A 23 103.657 109.099 -34.353 1.00 0.00 H new ATOM 0 HG LEU A 23 101.819 109.491 -32.749 1.00 0.00 H new ATOM 0 HD11 LEU A 23 102.151 109.012 -30.351 1.00 0.00 H new ATOM 0 HD12 LEU A 23 102.105 107.524 -31.326 1.00 0.00 H new ATOM 0 HD13 LEU A 23 103.662 108.155 -30.737 1.00 0.00 H new ATOM 0 HD21 LEU A 23 102.998 111.125 -31.319 1.00 0.00 H new ATOM 0 HD22 LEU A 23 104.552 110.376 -31.757 1.00 0.00 H new ATOM 0 HD23 LEU A 23 103.570 111.181 -33.004 1.00 0.00 H new ATOM 373 N ILE A 24 100.828 107.821 -35.053 1.00 0.00 N ATOM 374 CA ILE A 24 99.394 107.993 -35.189 1.00 0.00 C ATOM 375 C ILE A 24 98.649 106.649 -35.185 1.00 0.00 C ATOM 376 O ILE A 24 97.646 106.483 -34.502 1.00 0.00 O ATOM 377 CB ILE A 24 99.140 108.808 -36.452 1.00 0.00 C ATOM 378 CG1 ILE A 24 99.587 110.238 -36.177 1.00 0.00 C ATOM 379 CG2 ILE A 24 97.692 108.728 -36.948 1.00 0.00 C ATOM 380 CD1 ILE A 24 98.481 111.070 -35.527 1.00 0.00 C ATOM 0 H ILE A 24 101.381 108.102 -35.863 1.00 0.00 H new ATOM 0 HA ILE A 24 98.998 108.532 -34.328 1.00 0.00 H new ATOM 0 HB ILE A 24 99.720 108.387 -37.273 1.00 0.00 H new ATOM 0 HG12 ILE A 24 100.461 110.226 -35.526 1.00 0.00 H new ATOM 0 HG13 ILE A 24 99.892 110.708 -37.112 1.00 0.00 H new ATOM 0 HG21 ILE A 24 97.582 109.331 -37.849 1.00 0.00 H new ATOM 0 HG22 ILE A 24 97.441 107.691 -37.172 1.00 0.00 H new ATOM 0 HG23 ILE A 24 97.021 109.105 -36.176 1.00 0.00 H new ATOM 0 HD11 ILE A 24 98.844 112.082 -35.349 1.00 0.00 H new ATOM 0 HD12 ILE A 24 97.616 111.106 -36.189 1.00 0.00 H new ATOM 0 HD13 ILE A 24 98.194 110.616 -34.579 1.00 0.00 H new ATOM 392 N THR A 25 99.186 105.706 -35.984 1.00 0.00 N ATOM 393 CA THR A 25 98.498 104.432 -36.097 1.00 0.00 C ATOM 394 C THR A 25 98.354 103.739 -34.728 1.00 0.00 C ATOM 395 O THR A 25 97.276 103.294 -34.353 1.00 0.00 O ATOM 396 CB THR A 25 99.266 103.522 -37.067 1.00 0.00 C ATOM 397 OG1 THR A 25 99.931 104.213 -38.109 1.00 0.00 O ATOM 398 CG2 THR A 25 98.361 102.423 -37.623 1.00 0.00 C ATOM 0 H THR A 25 100.044 105.802 -36.527 1.00 0.00 H new ATOM 0 HA THR A 25 97.494 104.620 -36.478 1.00 0.00 H new ATOM 0 HB THR A 25 100.056 103.063 -36.473 1.00 0.00 H new ATOM 0 HG1 THR A 25 100.397 103.570 -38.683 1.00 0.00 H new ATOM 0 HG21 THR A 25 98.931 101.794 -38.307 1.00 0.00 H new ATOM 0 HG22 THR A 25 97.980 101.815 -36.802 1.00 0.00 H new ATOM 0 HG23 THR A 25 97.525 102.875 -38.157 1.00 0.00 H new ATOM 406 N ILE A 26 99.494 103.675 -34.010 1.00 0.00 N ATOM 407 CA ILE A 26 99.419 103.226 -32.624 1.00 0.00 C ATOM 408 C ILE A 26 98.489 104.121 -31.782 1.00 0.00 C ATOM 409 O ILE A 26 97.604 103.647 -31.079 1.00 0.00 O ATOM 410 CB ILE A 26 100.811 103.236 -31.987 1.00 0.00 C ATOM 411 CG1 ILE A 26 101.848 102.450 -32.799 1.00 0.00 C ATOM 412 CG2 ILE A 26 100.735 102.726 -30.547 1.00 0.00 C ATOM 413 CD1 ILE A 26 103.188 103.183 -32.844 1.00 0.00 C ATOM 0 H ILE A 26 100.425 103.916 -34.351 1.00 0.00 H new ATOM 0 HA ILE A 26 99.015 102.214 -32.638 1.00 0.00 H new ATOM 0 HB ILE A 26 101.154 104.271 -31.982 1.00 0.00 H new ATOM 0 HG12 ILE A 26 101.986 101.462 -32.359 1.00 0.00 H new ATOM 0 HG13 ILE A 26 101.480 102.298 -33.814 1.00 0.00 H new ATOM 0 HG21 ILE A 26 101.731 102.737 -30.104 1.00 0.00 H new ATOM 0 HG22 ILE A 26 100.073 103.369 -29.968 1.00 0.00 H new ATOM 0 HG23 ILE A 26 100.347 101.707 -30.542 1.00 0.00 H new ATOM 0 HD11 ILE A 26 103.902 102.601 -33.427 1.00 0.00 H new ATOM 0 HD12 ILE A 26 103.053 104.160 -33.307 1.00 0.00 H new ATOM 0 HD13 ILE A 26 103.567 103.312 -31.830 1.00 0.00 H new ATOM 425 N ALA A 27 98.754 105.436 -31.906 1.00 0.00 N ATOM 426 CA ALA A 27 98.117 106.402 -31.015 1.00 0.00 C ATOM 427 C ALA A 27 96.583 106.252 -30.989 1.00 0.00 C ATOM 428 O ALA A 27 95.967 106.232 -29.931 1.00 0.00 O ATOM 429 CB ALA A 27 98.460 107.825 -31.467 1.00 0.00 C ATOM 0 H ALA A 27 99.388 105.838 -32.597 1.00 0.00 H new ATOM 0 HA ALA A 27 98.496 106.210 -30.011 1.00 0.00 H new ATOM 0 HB1 ALA A 27 97.983 108.543 -30.800 1.00 0.00 H new ATOM 0 HB2 ALA A 27 99.541 107.965 -31.439 1.00 0.00 H new ATOM 0 HB3 ALA A 27 98.101 107.980 -32.484 1.00 0.00 H new ATOM 435 N LYS A 28 96.009 106.147 -32.205 1.00 0.00 N ATOM 436 CA LYS A 28 94.572 105.929 -32.316 1.00 0.00 C ATOM 437 C LYS A 28 94.126 104.700 -31.500 1.00 0.00 C ATOM 438 O LYS A 28 93.237 104.774 -30.660 1.00 0.00 O ATOM 439 CB LYS A 28 94.174 105.791 -33.795 1.00 0.00 C ATOM 440 CG LYS A 28 93.293 106.956 -34.248 1.00 0.00 C ATOM 441 CD LYS A 28 92.056 107.116 -33.363 1.00 0.00 C ATOM 442 CE LYS A 28 91.910 108.546 -32.841 1.00 0.00 C ATOM 443 NZ LYS A 28 92.478 108.713 -31.509 1.00 0.00 N ATOM 0 H LYS A 28 96.509 106.209 -33.092 1.00 0.00 H new ATOM 0 HA LYS A 28 94.058 106.795 -31.898 1.00 0.00 H new ATOM 0 HB2 LYS A 28 95.071 105.750 -34.412 1.00 0.00 H new ATOM 0 HB3 LYS A 28 93.642 104.851 -33.944 1.00 0.00 H new ATOM 0 HG2 LYS A 28 93.874 107.878 -34.230 1.00 0.00 H new ATOM 0 HG3 LYS A 28 92.982 106.795 -35.280 1.00 0.00 H new ATOM 0 HD2 LYS A 28 91.166 106.844 -33.930 1.00 0.00 H new ATOM 0 HD3 LYS A 28 92.120 106.427 -32.521 1.00 0.00 H new ATOM 0 HE2 LYS A 28 92.400 109.233 -33.531 1.00 0.00 H new ATOM 0 HE3 LYS A 28 90.854 108.816 -32.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 92.037 109.532 -31.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 92.300 107.857 -30.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 93.503 108.870 -31.586 1.00 0.00 H new ATOM 457 N LYS A 29 94.805 103.579 -31.808 1.00 0.00 N ATOM 458 CA LYS A 29 94.306 102.280 -31.405 1.00 0.00 C ATOM 459 C LYS A 29 94.990 101.855 -30.098 1.00 0.00 C ATOM 460 O LYS A 29 96.209 101.852 -29.977 1.00 0.00 O ATOM 461 CB LYS A 29 94.627 101.262 -32.492 1.00 0.00 C ATOM 462 CG LYS A 29 94.046 99.898 -32.151 1.00 0.00 C ATOM 463 CD LYS A 29 94.169 98.933 -33.325 1.00 0.00 C ATOM 464 CE LYS A 29 92.941 98.979 -34.235 1.00 0.00 C ATOM 465 NZ LYS A 29 93.160 99.789 -35.427 1.00 0.00 N ATOM 0 H LYS A 29 95.684 103.560 -32.326 1.00 0.00 H new ATOM 0 HA LYS A 29 93.228 102.332 -31.254 1.00 0.00 H new ATOM 0 HB2 LYS A 29 94.225 101.604 -33.446 1.00 0.00 H new ATOM 0 HB3 LYS A 29 95.707 101.181 -32.612 1.00 0.00 H new ATOM 0 HG2 LYS A 29 94.563 99.487 -31.284 1.00 0.00 H new ATOM 0 HG3 LYS A 29 92.997 100.006 -31.875 1.00 0.00 H new ATOM 0 HD2 LYS A 29 95.059 99.178 -33.904 1.00 0.00 H new ATOM 0 HD3 LYS A 29 94.303 97.919 -32.948 1.00 0.00 H new ATOM 0 HE2 LYS A 29 92.675 97.965 -34.533 1.00 0.00 H new ATOM 0 HE3 LYS A 29 92.094 99.380 -33.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 92.386 99.628 -36.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 93.186 100.795 -35.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 94.065 99.523 -35.866 1.00 0.00 H new ATOM 479 N ASP A 30 94.117 101.498 -29.139 1.00 0.00 N ATOM 480 CA ASP A 30 94.567 101.041 -27.841 1.00 0.00 C ATOM 481 C ASP A 30 94.657 99.507 -27.830 1.00 0.00 C ATOM 482 O ASP A 30 93.664 98.802 -27.961 1.00 0.00 O ATOM 483 CB ASP A 30 93.564 101.500 -26.787 1.00 0.00 C ATOM 484 CG ASP A 30 93.583 103.026 -26.667 1.00 0.00 C ATOM 485 OD1 ASP A 30 94.475 103.552 -26.003 1.00 0.00 O ATOM 486 OD2 ASP A 30 92.707 103.671 -27.240 1.00 0.00 O ATOM 0 H ASP A 30 93.103 101.522 -29.251 1.00 0.00 H new ATOM 0 HA ASP A 30 95.552 101.455 -27.626 1.00 0.00 H new ATOM 0 HB2 ASP A 30 92.563 101.162 -27.055 1.00 0.00 H new ATOM 0 HB3 ASP A 30 93.805 101.049 -25.824 1.00 0.00 H new ATOM 491 N PHE A 31 95.914 99.051 -27.668 1.00 0.00 N ATOM 492 CA PHE A 31 96.269 97.682 -28.018 1.00 0.00 C ATOM 493 C PHE A 31 95.904 97.394 -29.482 1.00 0.00 C ATOM 494 O PHE A 31 95.130 96.497 -29.795 1.00 0.00 O ATOM 495 CB PHE A 31 95.584 96.673 -27.089 1.00 0.00 C ATOM 496 CG PHE A 31 96.093 96.749 -25.671 1.00 0.00 C ATOM 497 CD1 PHE A 31 95.526 97.680 -24.762 1.00 0.00 C ATOM 498 CD2 PHE A 31 97.130 95.890 -25.219 1.00 0.00 C ATOM 499 CE1 PHE A 31 95.964 97.733 -23.417 1.00 0.00 C ATOM 500 CE2 PHE A 31 97.571 95.941 -23.874 1.00 0.00 C ATOM 501 CZ PHE A 31 96.983 96.859 -22.971 1.00 0.00 C ATOM 0 H PHE A 31 96.684 99.610 -27.301 1.00 0.00 H new ATOM 0 HA PHE A 31 97.346 97.573 -27.894 1.00 0.00 H new ATOM 0 HB2 PHE A 31 94.509 96.852 -27.095 1.00 0.00 H new ATOM 0 HB3 PHE A 31 95.742 95.666 -27.474 1.00 0.00 H new ATOM 0 HD1 PHE A 31 94.753 98.354 -25.100 1.00 0.00 H new ATOM 0 HD2 PHE A 31 97.586 95.193 -25.906 1.00 0.00 H new ATOM 0 HE1 PHE A 31 95.521 98.440 -22.732 1.00 0.00 H new ATOM 0 HE2 PHE A 31 98.356 95.280 -23.537 1.00 0.00 H new ATOM 0 HZ PHE A 31 97.312 96.892 -21.943 1.00 0.00 H new ATOM 511 N ILE A 32 96.521 98.227 -30.345 1.00 0.00 N ATOM 512 CA ILE A 32 97.153 97.746 -31.558 1.00 0.00 C ATOM 513 C ILE A 32 98.158 96.638 -31.224 1.00 0.00 C ATOM 514 O ILE A 32 98.211 96.130 -30.113 1.00 0.00 O ATOM 515 CB ILE A 32 97.804 98.937 -32.285 1.00 0.00 C ATOM 516 CG1 ILE A 32 97.808 98.692 -33.789 1.00 0.00 C ATOM 517 CG2 ILE A 32 99.211 99.281 -31.781 1.00 0.00 C ATOM 518 CD1 ILE A 32 97.864 100.002 -34.572 1.00 0.00 C ATOM 0 H ILE A 32 96.587 99.236 -30.210 1.00 0.00 H new ATOM 0 HA ILE A 32 96.414 97.306 -32.228 1.00 0.00 H new ATOM 0 HB ILE A 32 97.193 99.810 -32.056 1.00 0.00 H new ATOM 0 HG12 ILE A 32 98.664 98.072 -34.055 1.00 0.00 H new ATOM 0 HG13 ILE A 32 96.913 98.137 -34.070 1.00 0.00 H new ATOM 0 HG21 ILE A 32 99.601 100.130 -32.342 1.00 0.00 H new ATOM 0 HG22 ILE A 32 99.166 99.536 -30.722 1.00 0.00 H new ATOM 0 HG23 ILE A 32 99.867 98.422 -31.920 1.00 0.00 H new ATOM 0 HD11 ILE A 32 97.865 99.787 -35.641 1.00 0.00 H new ATOM 0 HD12 ILE A 32 96.994 100.611 -34.325 1.00 0.00 H new ATOM 0 HD13 ILE A 32 98.773 100.544 -34.310 1.00 0.00 H new ATOM 530 N THR A 33 98.947 96.298 -32.257 1.00 0.00 N ATOM 531 CA THR A 33 100.310 95.871 -31.984 1.00 0.00 C ATOM 532 C THR A 33 101.248 96.513 -33.012 1.00 0.00 C ATOM 533 O THR A 33 100.845 97.312 -33.849 1.00 0.00 O ATOM 534 CB THR A 33 100.398 94.339 -32.032 1.00 0.00 C ATOM 535 OG1 THR A 33 100.278 93.862 -33.352 1.00 0.00 O ATOM 536 CG2 THR A 33 99.371 93.659 -31.115 1.00 0.00 C ATOM 0 H THR A 33 98.674 96.311 -33.240 1.00 0.00 H new ATOM 0 HA THR A 33 100.610 96.191 -30.986 1.00 0.00 H new ATOM 0 HB THR A 33 101.387 94.075 -31.656 1.00 0.00 H new ATOM 0 HG1 THR A 33 99.334 93.694 -33.554 1.00 0.00 H new ATOM 0 HG21 THR A 33 99.478 92.577 -31.188 1.00 0.00 H new ATOM 0 HG22 THR A 33 99.540 93.971 -30.085 1.00 0.00 H new ATOM 0 HG23 THR A 33 98.365 93.946 -31.420 1.00 0.00 H new ATOM 544 N ALA A 34 102.525 96.106 -32.895 1.00 0.00 N ATOM 545 CA ALA A 34 103.406 96.240 -34.048 1.00 0.00 C ATOM 546 C ALA A 34 102.819 95.601 -35.324 1.00 0.00 C ATOM 547 O ALA A 34 102.909 96.164 -36.407 1.00 0.00 O ATOM 548 CB ALA A 34 104.765 95.617 -33.728 1.00 0.00 C ATOM 0 H ALA A 34 102.945 95.703 -32.057 1.00 0.00 H new ATOM 0 HA ALA A 34 103.518 97.305 -34.250 1.00 0.00 H new ATOM 0 HB1 ALA A 34 105.424 95.717 -34.591 1.00 0.00 H new ATOM 0 HB2 ALA A 34 105.207 96.128 -32.873 1.00 0.00 H new ATOM 0 HB3 ALA A 34 104.635 94.561 -33.492 1.00 0.00 H new ATOM 554 N ALA A 35 102.219 94.409 -35.136 1.00 0.00 N ATOM 555 CA ALA A 35 101.723 93.661 -36.283 1.00 0.00 C ATOM 556 C ALA A 35 100.703 94.479 -37.101 1.00 0.00 C ATOM 557 O ALA A 35 100.804 94.591 -38.316 1.00 0.00 O ATOM 558 CB ALA A 35 101.094 92.345 -35.812 1.00 0.00 C ATOM 0 H ALA A 35 102.074 93.964 -34.229 1.00 0.00 H new ATOM 0 HA ALA A 35 102.569 93.447 -36.936 1.00 0.00 H new ATOM 0 HB1 ALA A 35 100.725 91.789 -36.674 1.00 0.00 H new ATOM 0 HB2 ALA A 35 101.843 91.750 -35.291 1.00 0.00 H new ATOM 0 HB3 ALA A 35 100.266 92.559 -35.136 1.00 0.00 H new ATOM 564 N GLU A 36 99.716 95.034 -36.370 1.00 0.00 N ATOM 565 CA GLU A 36 98.725 95.865 -37.034 1.00 0.00 C ATOM 566 C GLU A 36 99.350 97.112 -37.690 1.00 0.00 C ATOM 567 O GLU A 36 98.955 97.498 -38.783 1.00 0.00 O ATOM 568 CB GLU A 36 97.605 96.261 -36.062 1.00 0.00 C ATOM 569 CG GLU A 36 96.234 95.881 -36.614 1.00 0.00 C ATOM 570 CD GLU A 36 95.192 95.912 -35.495 1.00 0.00 C ATOM 571 OE1 GLU A 36 95.469 95.385 -34.419 1.00 0.00 O ATOM 572 OE2 GLU A 36 94.114 96.463 -35.713 1.00 0.00 O ATOM 0 H GLU A 36 99.595 94.923 -35.363 1.00 0.00 H new ATOM 0 HA GLU A 36 98.293 95.267 -37.836 1.00 0.00 H new ATOM 0 HB2 GLU A 36 97.762 95.769 -35.102 1.00 0.00 H new ATOM 0 HB3 GLU A 36 97.641 97.335 -35.880 1.00 0.00 H new ATOM 0 HG2 GLU A 36 95.948 96.572 -37.407 1.00 0.00 H new ATOM 0 HG3 GLU A 36 96.274 94.886 -37.057 1.00 0.00 H new ATOM 579 N VAL A 37 100.327 97.725 -36.988 1.00 0.00 N ATOM 580 CA VAL A 37 101.013 98.834 -37.638 1.00 0.00 C ATOM 581 C VAL A 37 101.696 98.389 -38.946 1.00 0.00 C ATOM 582 O VAL A 37 101.608 99.073 -39.956 1.00 0.00 O ATOM 583 CB VAL A 37 102.048 99.439 -36.683 1.00 0.00 C ATOM 584 CG1 VAL A 37 102.918 100.476 -37.399 1.00 0.00 C ATOM 585 CG2 VAL A 37 101.371 100.050 -35.453 1.00 0.00 C ATOM 0 H VAL A 37 100.633 97.488 -36.044 1.00 0.00 H new ATOM 0 HA VAL A 37 100.268 99.588 -37.892 1.00 0.00 H new ATOM 0 HB VAL A 37 102.698 98.633 -36.343 1.00 0.00 H new ATOM 0 HG11 VAL A 37 103.643 100.889 -36.698 1.00 0.00 H new ATOM 0 HG12 VAL A 37 103.444 100.000 -38.227 1.00 0.00 H new ATOM 0 HG13 VAL A 37 102.287 101.278 -37.783 1.00 0.00 H new ATOM 0 HG21 VAL A 37 102.129 100.472 -34.793 1.00 0.00 H new ATOM 0 HG22 VAL A 37 100.686 100.837 -35.768 1.00 0.00 H new ATOM 0 HG23 VAL A 37 100.816 99.277 -34.921 1.00 0.00 H new ATOM 595 N ARG A 38 102.367 97.222 -38.880 1.00 0.00 N ATOM 596 CA ARG A 38 102.939 96.680 -40.099 1.00 0.00 C ATOM 597 C ARG A 38 101.883 96.529 -41.216 1.00 0.00 C ATOM 598 O ARG A 38 102.105 96.908 -42.360 1.00 0.00 O ATOM 599 CB ARG A 38 103.568 95.323 -39.802 1.00 0.00 C ATOM 600 CG ARG A 38 104.792 95.430 -38.893 1.00 0.00 C ATOM 601 CD ARG A 38 105.831 94.353 -39.213 1.00 0.00 C ATOM 602 NE ARG A 38 105.642 93.192 -38.364 1.00 0.00 N ATOM 603 CZ ARG A 38 106.272 92.050 -38.695 1.00 0.00 C ATOM 604 NH1 ARG A 38 107.582 91.933 -38.503 1.00 0.00 N ATOM 605 NH2 ARG A 38 105.583 91.037 -39.213 1.00 0.00 N ATOM 0 H ARG A 38 102.515 96.670 -38.035 1.00 0.00 H new ATOM 0 HA ARG A 38 103.696 97.379 -40.453 1.00 0.00 H new ATOM 0 HB2 ARG A 38 102.826 94.678 -39.332 1.00 0.00 H new ATOM 0 HB3 ARG A 38 103.856 94.847 -40.739 1.00 0.00 H new ATOM 0 HG2 ARG A 38 105.243 96.416 -39.005 1.00 0.00 H new ATOM 0 HG3 ARG A 38 104.481 95.338 -37.852 1.00 0.00 H new ATOM 0 HD2 ARG A 38 105.750 94.061 -40.260 1.00 0.00 H new ATOM 0 HD3 ARG A 38 106.834 94.755 -39.071 1.00 0.00 H new ATOM 0 HE ARG A 38 105.047 93.240 -37.537 1.00 0.00 H new ATOM 0 HH11 ARG A 38 108.110 92.709 -38.105 1.00 0.00 H new ATOM 0 HH12 ARG A 38 108.059 91.067 -38.754 1.00 0.00 H new ATOM 0 HH21 ARG A 38 104.577 91.126 -39.359 1.00 0.00 H new ATOM 0 HH22 ARG A 38 106.060 90.171 -39.464 1.00 0.00 H new ATOM 619 N GLU A 39 100.730 95.956 -40.810 1.00 0.00 N ATOM 620 CA GLU A 39 99.732 95.588 -41.802 1.00 0.00 C ATOM 621 C GLU A 39 99.038 96.820 -42.424 1.00 0.00 C ATOM 622 O GLU A 39 98.794 96.874 -43.623 1.00 0.00 O ATOM 623 CB GLU A 39 98.696 94.692 -41.131 1.00 0.00 C ATOM 624 CG GLU A 39 99.277 93.319 -40.829 1.00 0.00 C ATOM 625 CD GLU A 39 99.157 92.409 -42.054 1.00 0.00 C ATOM 626 OE1 GLU A 39 98.081 92.364 -42.649 1.00 0.00 O ATOM 627 OE2 GLU A 39 100.141 91.757 -42.400 1.00 0.00 O ATOM 0 H GLU A 39 100.485 95.750 -39.842 1.00 0.00 H new ATOM 0 HA GLU A 39 100.233 95.064 -42.616 1.00 0.00 H new ATOM 0 HB2 GLU A 39 98.352 95.157 -40.207 1.00 0.00 H new ATOM 0 HB3 GLU A 39 97.826 94.588 -41.779 1.00 0.00 H new ATOM 0 HG2 GLU A 39 100.324 93.415 -40.540 1.00 0.00 H new ATOM 0 HG3 GLU A 39 98.753 92.873 -39.984 1.00 0.00 H new ATOM 719 N ASN A 46 108.303 98.281 -44.215 1.00 0.00 N ATOM 720 CA ASN A 46 108.652 97.423 -43.089 1.00 0.00 C ATOM 721 C ASN A 46 109.884 97.942 -42.325 1.00 0.00 C ATOM 722 O ASN A 46 109.869 98.068 -41.106 1.00 0.00 O ATOM 723 CB ASN A 46 108.880 95.987 -43.559 1.00 0.00 C ATOM 724 CG ASN A 46 109.967 95.909 -44.638 1.00 0.00 C ATOM 725 OD1 ASN A 46 111.126 95.618 -44.369 1.00 0.00 O ATOM 726 ND2 ASN A 46 109.505 96.188 -45.870 1.00 0.00 N ATOM 0 HA ASN A 46 107.810 97.440 -42.397 1.00 0.00 H new ATOM 0 HB2 ASN A 46 109.166 95.367 -42.709 1.00 0.00 H new ATOM 0 HB3 ASN A 46 107.948 95.580 -43.951 1.00 0.00 H new ATOM 0 HD21 ASN A 46 110.138 96.166 -46.669 1.00 0.00 H new ATOM 0 HD22 ASN A 46 108.521 96.421 -46.005 1.00 0.00 H new ATOM 733 N ALA A 47 110.942 98.231 -43.108 1.00 0.00 N ATOM 734 CA ALA A 47 112.166 98.702 -42.478 1.00 0.00 C ATOM 735 C ALA A 47 111.939 100.006 -41.689 1.00 0.00 C ATOM 736 O ALA A 47 112.384 100.139 -40.554 1.00 0.00 O ATOM 737 CB ALA A 47 113.238 98.917 -43.546 1.00 0.00 C ATOM 0 H ALA A 47 110.967 98.149 -44.124 1.00 0.00 H new ATOM 0 HA ALA A 47 112.495 97.943 -41.768 1.00 0.00 H new ATOM 0 HB1 ALA A 47 114.155 99.270 -43.075 1.00 0.00 H new ATOM 0 HB2 ALA A 47 113.433 97.976 -44.060 1.00 0.00 H new ATOM 0 HB3 ALA A 47 112.891 99.659 -44.266 1.00 0.00 H new ATOM 743 N VAL A 48 111.228 100.951 -42.338 1.00 0.00 N ATOM 744 CA VAL A 48 111.002 102.205 -41.633 1.00 0.00 C ATOM 745 C VAL A 48 110.083 101.997 -40.417 1.00 0.00 C ATOM 746 O VAL A 48 110.350 102.507 -39.339 1.00 0.00 O ATOM 747 CB VAL A 48 110.438 103.286 -42.565 1.00 0.00 C ATOM 748 CG1 VAL A 48 111.267 103.410 -43.842 1.00 0.00 C ATOM 749 CG2 VAL A 48 108.967 103.045 -42.902 1.00 0.00 C ATOM 0 H VAL A 48 110.832 100.874 -43.275 1.00 0.00 H new ATOM 0 HA VAL A 48 111.970 102.554 -41.273 1.00 0.00 H new ATOM 0 HB VAL A 48 110.501 104.229 -42.022 1.00 0.00 H new ATOM 0 HG11 VAL A 48 110.840 104.184 -44.479 1.00 0.00 H new ATOM 0 HG12 VAL A 48 112.293 103.676 -43.586 1.00 0.00 H new ATOM 0 HG13 VAL A 48 111.261 102.458 -44.374 1.00 0.00 H new ATOM 0 HG21 VAL A 48 108.611 103.835 -43.564 1.00 0.00 H new ATOM 0 HG22 VAL A 48 108.861 102.080 -43.398 1.00 0.00 H new ATOM 0 HG23 VAL A 48 108.378 103.048 -41.985 1.00 0.00 H new ATOM 759 N VAL A 49 108.997 101.231 -40.650 1.00 0.00 N ATOM 760 CA VAL A 49 107.970 101.099 -39.625 1.00 0.00 C ATOM 761 C VAL A 49 108.545 100.521 -38.314 1.00 0.00 C ATOM 762 O VAL A 49 108.242 100.993 -37.225 1.00 0.00 O ATOM 763 CB VAL A 49 106.836 100.228 -40.177 1.00 0.00 C ATOM 764 CG1 VAL A 49 105.887 99.725 -39.089 1.00 0.00 C ATOM 765 CG2 VAL A 49 106.039 101.005 -41.219 1.00 0.00 C ATOM 0 H VAL A 49 108.821 100.715 -41.512 1.00 0.00 H new ATOM 0 HA VAL A 49 107.579 102.086 -39.377 1.00 0.00 H new ATOM 0 HB VAL A 49 107.306 99.355 -40.630 1.00 0.00 H new ATOM 0 HG11 VAL A 49 105.106 99.114 -39.542 1.00 0.00 H new ATOM 0 HG12 VAL A 49 106.444 99.126 -38.369 1.00 0.00 H new ATOM 0 HG13 VAL A 49 105.434 100.576 -38.580 1.00 0.00 H new ATOM 0 HG21 VAL A 49 105.236 100.377 -41.605 1.00 0.00 H new ATOM 0 HG22 VAL A 49 105.614 101.898 -40.760 1.00 0.00 H new ATOM 0 HG23 VAL A 49 106.697 101.296 -42.038 1.00 0.00 H new ATOM 775 N ASN A 50 109.386 99.481 -38.486 1.00 0.00 N ATOM 776 CA ASN A 50 110.124 98.949 -37.348 1.00 0.00 C ATOM 777 C ASN A 50 110.916 100.051 -36.611 1.00 0.00 C ATOM 778 O ASN A 50 110.882 100.149 -35.391 1.00 0.00 O ATOM 779 CB ASN A 50 111.088 97.858 -37.836 1.00 0.00 C ATOM 780 CG ASN A 50 111.125 96.701 -36.834 1.00 0.00 C ATOM 781 OD1 ASN A 50 111.957 96.649 -35.935 1.00 0.00 O ATOM 782 ND2 ASN A 50 110.167 95.784 -37.056 1.00 0.00 N ATOM 0 H ASN A 50 109.561 99.013 -39.375 1.00 0.00 H new ATOM 0 HA ASN A 50 109.405 98.532 -36.643 1.00 0.00 H new ATOM 0 HB2 ASN A 50 110.772 97.493 -38.813 1.00 0.00 H new ATOM 0 HB3 ASN A 50 112.088 98.274 -37.960 1.00 0.00 H new ATOM 0 HD21 ASN A 50 110.094 94.966 -36.451 1.00 0.00 H new ATOM 0 HD22 ASN A 50 109.514 95.906 -37.830 1.00 0.00 H new ATOM 789 N SER A 51 111.624 100.864 -37.421 1.00 0.00 N ATOM 790 CA SER A 51 112.370 101.961 -36.823 1.00 0.00 C ATOM 791 C SER A 51 111.453 102.982 -36.116 1.00 0.00 C ATOM 792 O SER A 51 111.759 103.447 -35.027 1.00 0.00 O ATOM 793 CB SER A 51 113.187 102.666 -37.916 1.00 0.00 C ATOM 794 OG SER A 51 113.683 103.951 -37.561 1.00 0.00 O ATOM 0 H SER A 51 111.688 100.782 -38.436 1.00 0.00 H new ATOM 0 HA SER A 51 113.028 101.541 -36.062 1.00 0.00 H new ATOM 0 HB2 SER A 51 114.030 102.030 -38.186 1.00 0.00 H new ATOM 0 HB3 SER A 51 112.565 102.766 -38.806 1.00 0.00 H new ATOM 0 HG SER A 51 114.190 104.325 -38.312 1.00 0.00 H new ATOM 800 N ASN A 52 110.334 103.311 -36.791 1.00 0.00 N ATOM 801 CA ASN A 52 109.494 104.422 -36.371 1.00 0.00 C ATOM 802 C ASN A 52 108.768 104.170 -35.030 1.00 0.00 C ATOM 803 O ASN A 52 108.591 105.064 -34.214 1.00 0.00 O ATOM 804 CB ASN A 52 108.432 104.642 -37.442 1.00 0.00 C ATOM 805 CG ASN A 52 109.067 105.045 -38.781 1.00 0.00 C ATOM 806 OD1 ASN A 52 108.512 104.428 -39.839 1.00 0.00 O flip ATOM 807 ND2 ASN A 52 109.991 105.846 -38.841 1.00 0.00 N flip ATOM 0 H ASN A 52 110.003 102.820 -37.622 1.00 0.00 H new ATOM 0 HA ASN A 52 110.144 105.286 -36.234 1.00 0.00 H new ATOM 0 HB2 ASN A 52 107.850 103.730 -37.573 1.00 0.00 H new ATOM 0 HB3 ASN A 52 107.740 105.418 -37.117 1.00 0.00 H new ATOM 0 HD21 ASN A 52 110.355 106.270 -37.988 1.00 0.00 H new ATOM 0 HD22 ASN A 52 110.397 106.089 -39.744 1.00 0.00 H new ATOM 814 N ILE A 53 108.318 102.916 -34.875 1.00 0.00 N ATOM 815 CA ILE A 53 107.719 102.518 -33.617 1.00 0.00 C ATOM 816 C ILE A 53 108.761 102.504 -32.480 1.00 0.00 C ATOM 817 O ILE A 53 108.539 103.043 -31.404 1.00 0.00 O ATOM 818 CB ILE A 53 107.114 101.125 -33.798 1.00 0.00 C ATOM 819 CG1 ILE A 53 106.109 101.073 -34.953 1.00 0.00 C ATOM 820 CG2 ILE A 53 106.443 100.629 -32.522 1.00 0.00 C ATOM 821 CD1 ILE A 53 105.765 99.635 -35.322 1.00 0.00 C ATOM 0 H ILE A 53 108.360 102.188 -35.588 1.00 0.00 H new ATOM 0 HA ILE A 53 106.947 103.236 -33.340 1.00 0.00 H new ATOM 0 HB ILE A 53 107.949 100.467 -34.038 1.00 0.00 H new ATOM 0 HG12 ILE A 53 105.201 101.606 -34.672 1.00 0.00 H new ATOM 0 HG13 ILE A 53 106.523 101.585 -35.822 1.00 0.00 H new ATOM 0 HG21 ILE A 53 106.026 99.636 -32.692 1.00 0.00 H new ATOM 0 HG22 ILE A 53 107.179 100.581 -31.719 1.00 0.00 H new ATOM 0 HG23 ILE A 53 105.644 101.315 -32.241 1.00 0.00 H new ATOM 0 HD11 ILE A 53 105.050 99.632 -36.145 1.00 0.00 H new ATOM 0 HD12 ILE A 53 106.671 99.111 -35.627 1.00 0.00 H new ATOM 0 HD13 ILE A 53 105.328 99.133 -34.459 1.00 0.00 H new ATOM 833 N GLY A 54 109.896 101.846 -32.781 1.00 0.00 N ATOM 834 CA GLY A 54 110.974 101.796 -31.809 1.00 0.00 C ATOM 835 C GLY A 54 111.494 103.182 -31.397 1.00 0.00 C ATOM 836 O GLY A 54 111.769 103.436 -30.234 1.00 0.00 O ATOM 0 H GLY A 54 110.076 101.361 -33.660 1.00 0.00 H new ATOM 0 HA2 GLY A 54 110.627 101.268 -30.921 1.00 0.00 H new ATOM 0 HA3 GLY A 54 111.799 101.216 -32.223 1.00 0.00 H new ATOM 840 N VAL A 55 111.637 104.048 -32.411 1.00 0.00 N ATOM 841 CA VAL A 55 112.202 105.359 -32.135 1.00 0.00 C ATOM 842 C VAL A 55 111.264 106.237 -31.272 1.00 0.00 C ATOM 843 O VAL A 55 111.717 107.007 -30.435 1.00 0.00 O ATOM 844 CB VAL A 55 112.574 106.037 -33.452 1.00 0.00 C ATOM 845 CG1 VAL A 55 111.334 106.541 -34.166 1.00 0.00 C ATOM 846 CG2 VAL A 55 113.582 107.162 -33.238 1.00 0.00 C ATOM 0 H VAL A 55 111.381 103.870 -33.382 1.00 0.00 H new ATOM 0 HA VAL A 55 113.106 105.227 -31.540 1.00 0.00 H new ATOM 0 HB VAL A 55 113.052 105.290 -34.087 1.00 0.00 H new ATOM 0 HG11 VAL A 55 111.622 107.020 -35.102 1.00 0.00 H new ATOM 0 HG12 VAL A 55 110.670 105.703 -34.377 1.00 0.00 H new ATOM 0 HG13 VAL A 55 110.818 107.262 -33.533 1.00 0.00 H new ATOM 0 HG21 VAL A 55 113.823 107.621 -34.197 1.00 0.00 H new ATOM 0 HG22 VAL A 55 113.154 107.912 -32.573 1.00 0.00 H new ATOM 0 HG23 VAL A 55 114.490 106.757 -32.791 1.00 0.00 H new ATOM 856 N LEU A 56 109.941 106.089 -31.517 1.00 0.00 N ATOM 857 CA LEU A 56 108.980 106.558 -30.524 1.00 0.00 C ATOM 858 C LEU A 56 109.255 105.935 -29.136 1.00 0.00 C ATOM 859 O LEU A 56 109.310 106.627 -28.129 1.00 0.00 O ATOM 860 CB LEU A 56 107.590 106.126 -31.002 1.00 0.00 C ATOM 861 CG LEU A 56 106.951 107.063 -32.033 1.00 0.00 C ATOM 862 CD1 LEU A 56 107.962 107.845 -32.868 1.00 0.00 C ATOM 863 CD2 LEU A 56 106.056 106.258 -32.969 1.00 0.00 C ATOM 0 H LEU A 56 109.540 105.668 -32.355 1.00 0.00 H new ATOM 0 HA LEU A 56 109.056 107.641 -30.422 1.00 0.00 H new ATOM 0 HB2 LEU A 56 107.662 105.128 -31.433 1.00 0.00 H new ATOM 0 HB3 LEU A 56 106.929 106.053 -30.138 1.00 0.00 H new ATOM 0 HG LEU A 56 106.377 107.794 -31.464 1.00 0.00 H new ATOM 0 HD11 LEU A 56 107.433 108.485 -33.574 1.00 0.00 H new ATOM 0 HD12 LEU A 56 108.578 108.460 -32.212 1.00 0.00 H new ATOM 0 HD13 LEU A 56 108.598 107.149 -33.415 1.00 0.00 H new ATOM 0 HD21 LEU A 56 105.602 106.925 -33.702 1.00 0.00 H new ATOM 0 HD22 LEU A 56 106.652 105.505 -33.484 1.00 0.00 H new ATOM 0 HD23 LEU A 56 105.273 105.767 -32.391 1.00 0.00 H new ATOM 875 N ILE A 57 109.453 104.603 -29.142 1.00 0.00 N ATOM 876 CA ILE A 57 109.622 103.935 -27.858 1.00 0.00 C ATOM 877 C ILE A 57 110.862 104.448 -27.091 1.00 0.00 C ATOM 878 O ILE A 57 110.819 104.663 -25.886 1.00 0.00 O ATOM 879 CB ILE A 57 109.728 102.424 -28.076 1.00 0.00 C ATOM 880 CG1 ILE A 57 108.500 101.884 -28.826 1.00 0.00 C ATOM 881 CG2 ILE A 57 110.002 101.695 -26.755 1.00 0.00 C ATOM 882 CD1 ILE A 57 107.585 100.981 -27.999 1.00 0.00 C ATOM 0 H ILE A 57 109.497 104.008 -29.969 1.00 0.00 H new ATOM 0 HA ILE A 57 108.748 104.163 -27.248 1.00 0.00 H new ATOM 0 HB ILE A 57 110.586 102.224 -28.718 1.00 0.00 H new ATOM 0 HG12 ILE A 57 107.917 102.728 -29.193 1.00 0.00 H new ATOM 0 HG13 ILE A 57 108.841 101.328 -29.699 1.00 0.00 H new ATOM 0 HG21 ILE A 57 110.073 100.623 -26.939 1.00 0.00 H new ATOM 0 HG22 ILE A 57 110.940 102.053 -26.330 1.00 0.00 H new ATOM 0 HG23 ILE A 57 109.189 101.890 -26.056 1.00 0.00 H new ATOM 0 HD11 ILE A 57 106.748 100.650 -28.614 1.00 0.00 H new ATOM 0 HD12 ILE A 57 108.146 100.113 -27.653 1.00 0.00 H new ATOM 0 HD13 ILE A 57 107.207 101.535 -27.140 1.00 0.00 H new ATOM 894 N LYS A 58 111.955 104.628 -27.858 1.00 0.00 N ATOM 895 CA LYS A 58 113.229 104.969 -27.240 1.00 0.00 C ATOM 896 C LYS A 58 113.252 106.416 -26.683 1.00 0.00 C ATOM 897 O LYS A 58 114.024 106.737 -25.789 1.00 0.00 O ATOM 898 CB LYS A 58 114.349 104.730 -28.258 1.00 0.00 C ATOM 899 CG LYS A 58 114.529 105.890 -29.234 1.00 0.00 C ATOM 900 CD LYS A 58 115.667 106.821 -28.815 1.00 0.00 C ATOM 901 CE LYS A 58 116.843 106.764 -29.790 1.00 0.00 C ATOM 902 NZ LYS A 58 116.469 107.173 -31.138 1.00 0.00 N ATOM 0 H LYS A 58 111.974 104.544 -28.874 1.00 0.00 H new ATOM 0 HA LYS A 58 113.382 104.325 -26.374 1.00 0.00 H new ATOM 0 HB2 LYS A 58 115.285 104.562 -27.726 1.00 0.00 H new ATOM 0 HB3 LYS A 58 114.134 103.821 -28.819 1.00 0.00 H new ATOM 0 HG2 LYS A 58 114.731 105.497 -30.231 1.00 0.00 H new ATOM 0 HG3 LYS A 58 113.601 106.458 -29.297 1.00 0.00 H new ATOM 0 HD2 LYS A 58 115.295 107.844 -28.755 1.00 0.00 H new ATOM 0 HD3 LYS A 58 116.010 106.548 -27.817 1.00 0.00 H new ATOM 0 HE2 LYS A 58 117.644 107.408 -29.427 1.00 0.00 H new ATOM 0 HE3 LYS A 58 117.239 105.749 -29.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 117.223 107.764 -31.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 116.333 106.330 -31.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 115.584 107.718 -31.102 1.00 0.00 H new ATOM 916 N LYS A 59 112.368 107.255 -27.262 1.00 0.00 N ATOM 917 CA LYS A 59 112.061 108.540 -26.666 1.00 0.00 C ATOM 918 C LYS A 59 111.175 108.367 -25.416 1.00 0.00 C ATOM 919 O LYS A 59 111.457 108.911 -24.355 1.00 0.00 O ATOM 920 CB LYS A 59 111.317 109.365 -27.715 1.00 0.00 C ATOM 921 CG LYS A 59 112.171 109.663 -28.949 1.00 0.00 C ATOM 922 CD LYS A 59 111.308 110.052 -30.148 1.00 0.00 C ATOM 923 CE LYS A 59 112.151 110.546 -31.324 1.00 0.00 C ATOM 924 NZ LYS A 59 111.373 110.675 -32.551 1.00 0.00 N ATOM 0 H LYS A 59 111.869 107.056 -28.129 1.00 0.00 H new ATOM 0 HA LYS A 59 112.980 109.036 -26.355 1.00 0.00 H new ATOM 0 HB2 LYS A 59 110.418 108.830 -28.021 1.00 0.00 H new ATOM 0 HB3 LYS A 59 110.992 110.305 -27.268 1.00 0.00 H new ATOM 0 HG2 LYS A 59 112.868 110.470 -28.724 1.00 0.00 H new ATOM 0 HG3 LYS A 59 112.769 108.787 -29.199 1.00 0.00 H new ATOM 0 HD2 LYS A 59 110.716 109.193 -30.462 1.00 0.00 H new ATOM 0 HD3 LYS A 59 110.606 110.832 -29.852 1.00 0.00 H new ATOM 0 HE2 LYS A 59 112.590 111.511 -31.072 1.00 0.00 H new ATOM 0 HE3 LYS A 59 112.977 109.854 -31.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 111.831 111.363 -33.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 111.319 109.752 -33.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 110.413 111.002 -32.321 1.00 0.00 H new ATOM 938 N GLY A 60 110.096 107.582 -25.610 1.00 0.00 N ATOM 939 CA GLY A 60 108.771 108.097 -25.368 1.00 0.00 C ATOM 940 C GLY A 60 108.427 109.096 -26.468 1.00 0.00 C ATOM 941 O GLY A 60 108.841 110.247 -26.445 1.00 0.00 O ATOM 0 H GLY A 60 110.132 106.613 -25.927 1.00 0.00 H new ATOM 0 HA2 GLY A 60 108.046 107.283 -25.356 1.00 0.00 H new ATOM 0 HA3 GLY A 60 108.725 108.579 -24.392 1.00 0.00 H new ATOM 945 N LEU A 61 107.653 108.563 -27.429 1.00 0.00 N ATOM 946 CA LEU A 61 106.285 108.205 -27.146 1.00 0.00 C ATOM 947 C LEU A 61 105.849 107.215 -28.220 1.00 0.00 C ATOM 948 O LEU A 61 105.446 107.571 -29.320 1.00 0.00 O ATOM 949 CB LEU A 61 105.453 109.478 -27.287 1.00 0.00 C ATOM 950 CG LEU A 61 105.779 110.337 -28.527 1.00 0.00 C ATOM 951 CD1 LEU A 61 104.605 111.233 -28.869 1.00 0.00 C ATOM 952 CD2 LEU A 61 107.023 111.200 -28.337 1.00 0.00 C ATOM 0 H LEU A 61 107.959 108.380 -28.385 1.00 0.00 H new ATOM 0 HA LEU A 61 106.167 107.773 -26.152 1.00 0.00 H new ATOM 0 HB2 LEU A 61 104.399 109.203 -27.321 1.00 0.00 H new ATOM 0 HB3 LEU A 61 105.595 110.087 -26.394 1.00 0.00 H new ATOM 0 HG LEU A 61 105.977 109.641 -29.342 1.00 0.00 H new ATOM 0 HD11 LEU A 61 104.849 111.833 -29.746 1.00 0.00 H new ATOM 0 HD12 LEU A 61 103.729 110.620 -29.081 1.00 0.00 H new ATOM 0 HD13 LEU A 61 104.392 111.891 -28.026 1.00 0.00 H new ATOM 0 HD21 LEU A 61 107.203 111.782 -29.241 1.00 0.00 H new ATOM 0 HD22 LEU A 61 106.872 111.875 -27.495 1.00 0.00 H new ATOM 0 HD23 LEU A 61 107.883 110.560 -28.140 1.00 0.00 H new ATOM 964 N VAL A 62 105.934 105.940 -27.825 1.00 0.00 N ATOM 965 CA VAL A 62 104.843 105.069 -27.474 1.00 0.00 C ATOM 966 C VAL A 62 105.346 104.107 -26.388 1.00 0.00 C ATOM 967 O VAL A 62 106.524 103.776 -26.333 1.00 0.00 O ATOM 968 CB VAL A 62 104.406 104.314 -28.721 1.00 0.00 C ATOM 969 CG1 VAL A 62 105.534 103.439 -29.257 1.00 0.00 C ATOM 970 CG2 VAL A 62 103.151 103.486 -28.467 1.00 0.00 C ATOM 0 H VAL A 62 106.836 105.472 -27.741 1.00 0.00 H new ATOM 0 HA VAL A 62 103.986 105.624 -27.092 1.00 0.00 H new ATOM 0 HB VAL A 62 104.162 105.057 -29.480 1.00 0.00 H new ATOM 0 HG11 VAL A 62 105.193 102.911 -30.148 1.00 0.00 H new ATOM 0 HG12 VAL A 62 106.390 104.064 -29.511 1.00 0.00 H new ATOM 0 HG13 VAL A 62 105.826 102.715 -28.496 1.00 0.00 H new ATOM 0 HG21 VAL A 62 102.870 102.962 -29.380 1.00 0.00 H new ATOM 0 HG22 VAL A 62 103.347 102.760 -27.678 1.00 0.00 H new ATOM 0 HG23 VAL A 62 102.337 104.143 -28.161 1.00 0.00 H new ATOM 980 N GLU A 63 104.401 103.678 -25.533 1.00 0.00 N ATOM 981 CA GLU A 63 104.703 102.568 -24.637 1.00 0.00 C ATOM 982 C GLU A 63 104.037 101.277 -25.141 1.00 0.00 C ATOM 983 O GLU A 63 102.828 101.192 -25.317 1.00 0.00 O ATOM 984 CB GLU A 63 104.192 102.873 -23.233 1.00 0.00 C ATOM 985 CG GLU A 63 105.102 103.850 -22.489 1.00 0.00 C ATOM 986 CD GLU A 63 104.413 104.334 -21.212 1.00 0.00 C ATOM 987 OE1 GLU A 63 103.675 105.316 -21.279 1.00 0.00 O ATOM 988 OE2 GLU A 63 104.622 103.724 -20.165 1.00 0.00 O ATOM 0 H GLU A 63 103.462 104.069 -25.449 1.00 0.00 H new ATOM 0 HA GLU A 63 105.784 102.433 -24.613 1.00 0.00 H new ATOM 0 HB2 GLU A 63 103.187 103.291 -23.296 1.00 0.00 H new ATOM 0 HB3 GLU A 63 104.116 101.945 -22.666 1.00 0.00 H new ATOM 0 HG2 GLU A 63 106.046 103.365 -22.242 1.00 0.00 H new ATOM 0 HG3 GLU A 63 105.339 104.700 -23.129 1.00 0.00 H new ATOM 995 N LYS A 64 104.910 100.276 -25.341 1.00 0.00 N ATOM 996 CA LYS A 64 104.437 98.973 -25.743 1.00 0.00 C ATOM 997 C LYS A 64 103.933 98.209 -24.513 1.00 0.00 C ATOM 998 O LYS A 64 104.684 97.844 -23.618 1.00 0.00 O ATOM 999 CB LYS A 64 105.584 98.235 -26.425 1.00 0.00 C ATOM 1000 CG LYS A 64 105.261 96.763 -26.657 1.00 0.00 C ATOM 1001 CD LYS A 64 105.989 95.854 -25.667 1.00 0.00 C ATOM 1002 CE LYS A 64 107.116 95.070 -26.342 1.00 0.00 C ATOM 1003 NZ LYS A 64 108.052 94.502 -25.379 1.00 0.00 N ATOM 0 H LYS A 64 105.921 100.355 -25.230 1.00 0.00 H new ATOM 0 HA LYS A 64 103.607 99.061 -26.443 1.00 0.00 H new ATOM 0 HB2 LYS A 64 105.805 98.712 -27.380 1.00 0.00 H new ATOM 0 HB3 LYS A 64 106.482 98.317 -25.813 1.00 0.00 H new ATOM 0 HG2 LYS A 64 104.186 96.609 -26.567 1.00 0.00 H new ATOM 0 HG3 LYS A 64 105.538 96.487 -27.674 1.00 0.00 H new ATOM 0 HD2 LYS A 64 106.399 96.455 -24.855 1.00 0.00 H new ATOM 0 HD3 LYS A 64 105.278 95.158 -25.221 1.00 0.00 H new ATOM 0 HE2 LYS A 64 106.688 94.269 -26.944 1.00 0.00 H new ATOM 0 HE3 LYS A 64 107.655 95.728 -27.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 108.797 93.981 -25.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 108.483 95.267 -24.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 107.545 93.853 -24.744 1.00 0.00 H new ATOM 1017 N SER A 65 102.602 98.004 -24.548 1.00 0.00 N ATOM 1018 CA SER A 65 101.911 97.404 -23.416 1.00 0.00 C ATOM 1019 C SER A 65 101.386 96.025 -23.825 1.00 0.00 C ATOM 1020 O SER A 65 100.415 95.910 -24.560 1.00 0.00 O ATOM 1021 CB SER A 65 100.695 98.281 -23.062 1.00 0.00 C ATOM 1022 OG SER A 65 99.840 97.780 -22.040 1.00 0.00 O ATOM 0 H SER A 65 102.003 98.244 -25.338 1.00 0.00 H new ATOM 0 HA SER A 65 102.593 97.320 -22.570 1.00 0.00 H new ATOM 0 HB2 SER A 65 101.057 99.263 -22.756 1.00 0.00 H new ATOM 0 HB3 SER A 65 100.102 98.427 -23.965 1.00 0.00 H new ATOM 0 HG SER A 65 98.997 97.478 -22.438 1.00 0.00 H new ATOM 1028 N GLY A 66 102.071 94.993 -23.295 1.00 0.00 N ATOM 1029 CA GLY A 66 102.380 93.870 -24.163 1.00 0.00 C ATOM 1030 C GLY A 66 101.270 92.821 -24.100 1.00 0.00 C ATOM 1031 O GLY A 66 101.228 91.978 -23.213 1.00 0.00 O ATOM 0 H GLY A 66 102.398 94.922 -22.331 1.00 0.00 H new ATOM 0 HA2 GLY A 66 102.501 94.219 -25.189 1.00 0.00 H new ATOM 0 HA3 GLY A 66 103.328 93.423 -23.865 1.00 0.00 H new ATOM 1035 N ASP A 67 100.379 92.934 -25.103 1.00 0.00 N ATOM 1036 CA ASP A 67 100.773 92.661 -26.480 1.00 0.00 C ATOM 1037 C ASP A 67 101.104 93.953 -27.255 1.00 0.00 C ATOM 1038 O ASP A 67 102.086 94.018 -27.984 1.00 0.00 O ATOM 1039 CB ASP A 67 99.647 91.907 -27.189 1.00 0.00 C ATOM 1040 CG ASP A 67 99.764 90.407 -26.903 1.00 0.00 C ATOM 1041 OD1 ASP A 67 99.578 90.013 -25.753 1.00 0.00 O ATOM 1042 OD2 ASP A 67 100.039 89.652 -27.834 1.00 0.00 O ATOM 0 H ASP A 67 99.404 93.207 -24.981 1.00 0.00 H new ATOM 0 HA ASP A 67 101.678 92.053 -26.455 1.00 0.00 H new ATOM 0 HB2 ASP A 67 98.680 92.277 -26.849 1.00 0.00 H new ATOM 0 HB3 ASP A 67 99.697 92.086 -28.263 1.00 0.00 H new ATOM 1047 N GLY A 68 100.236 94.969 -27.060 1.00 0.00 N ATOM 1048 CA GLY A 68 100.048 95.967 -28.092 1.00 0.00 C ATOM 1049 C GLY A 68 101.026 97.117 -27.898 1.00 0.00 C ATOM 1050 O GLY A 68 101.837 97.134 -26.980 1.00 0.00 O ATOM 0 H GLY A 68 99.677 95.104 -26.218 1.00 0.00 H new ATOM 0 HA2 GLY A 68 100.195 95.517 -29.074 1.00 0.00 H new ATOM 0 HA3 GLY A 68 99.025 96.342 -28.063 1.00 0.00 H new ATOM 1054 N LEU A 69 100.893 98.078 -28.830 1.00 0.00 N ATOM 1055 CA LEU A 69 101.598 99.337 -28.681 1.00 0.00 C ATOM 1056 C LEU A 69 100.574 100.436 -28.403 1.00 0.00 C ATOM 1057 O LEU A 69 99.534 100.514 -29.043 1.00 0.00 O ATOM 1058 CB LEU A 69 102.393 99.634 -29.954 1.00 0.00 C ATOM 1059 CG LEU A 69 103.293 98.473 -30.391 1.00 0.00 C ATOM 1060 CD1 LEU A 69 104.435 99.003 -31.243 1.00 0.00 C ATOM 1061 CD2 LEU A 69 103.861 97.639 -29.241 1.00 0.00 C ATOM 0 H LEU A 69 100.317 98.000 -29.668 1.00 0.00 H new ATOM 0 HA LEU A 69 102.301 99.287 -27.850 1.00 0.00 H new ATOM 0 HB2 LEU A 69 101.699 99.870 -30.761 1.00 0.00 H new ATOM 0 HB3 LEU A 69 103.007 100.520 -29.792 1.00 0.00 H new ATOM 0 HG LEU A 69 102.652 97.801 -30.962 1.00 0.00 H new ATOM 0 HD11 LEU A 69 105.073 98.175 -31.552 1.00 0.00 H new ATOM 0 HD12 LEU A 69 104.031 99.499 -32.126 1.00 0.00 H new ATOM 0 HD13 LEU A 69 105.021 99.716 -30.663 1.00 0.00 H new ATOM 0 HD21 LEU A 69 104.485 96.841 -29.644 1.00 0.00 H new ATOM 0 HD22 LEU A 69 104.461 98.276 -28.591 1.00 0.00 H new ATOM 0 HD23 LEU A 69 103.042 97.205 -28.667 1.00 0.00 H new ATOM 1073 N ILE A 70 100.926 101.272 -27.404 1.00 0.00 N ATOM 1074 CA ILE A 70 99.991 102.318 -27.043 1.00 0.00 C ATOM 1075 C ILE A 70 100.742 103.484 -26.425 1.00 0.00 C ATOM 1076 O ILE A 70 101.765 103.324 -25.775 1.00 0.00 O ATOM 1077 CB ILE A 70 98.999 101.786 -26.019 1.00 0.00 C ATOM 1078 CG1 ILE A 70 99.689 101.255 -24.768 1.00 0.00 C ATOM 1079 CG2 ILE A 70 98.152 100.683 -26.627 1.00 0.00 C ATOM 1080 CD1 ILE A 70 98.684 101.088 -23.627 1.00 0.00 C ATOM 0 H ILE A 70 101.796 101.239 -26.872 1.00 0.00 H new ATOM 0 HA ILE A 70 99.464 102.646 -27.939 1.00 0.00 H new ATOM 0 HB ILE A 70 98.367 102.625 -25.727 1.00 0.00 H new ATOM 0 HG12 ILE A 70 100.162 100.297 -24.986 1.00 0.00 H new ATOM 0 HG13 ILE A 70 100.481 101.940 -24.465 1.00 0.00 H new ATOM 0 HG21 ILE A 70 97.447 100.313 -25.882 1.00 0.00 H new ATOM 0 HG22 ILE A 70 97.603 101.076 -27.483 1.00 0.00 H new ATOM 0 HG23 ILE A 70 98.797 99.867 -26.953 1.00 0.00 H new ATOM 0 HD11 ILE A 70 99.197 100.708 -22.743 1.00 0.00 H new ATOM 0 HD12 ILE A 70 98.231 102.052 -23.397 1.00 0.00 H new ATOM 0 HD13 ILE A 70 97.907 100.384 -23.926 1.00 0.00 H new ATOM 1092 N ILE A 71 100.160 104.671 -26.647 1.00 0.00 N ATOM 1093 CA ILE A 71 100.986 105.855 -26.561 1.00 0.00 C ATOM 1094 C ILE A 71 100.849 106.473 -25.172 1.00 0.00 C ATOM 1095 O ILE A 71 99.837 106.335 -24.496 1.00 0.00 O ATOM 1096 CB ILE A 71 100.565 106.838 -27.642 1.00 0.00 C ATOM 1097 CG1 ILE A 71 99.117 107.287 -27.422 1.00 0.00 C ATOM 1098 CG2 ILE A 71 100.797 106.224 -29.026 1.00 0.00 C ATOM 1099 CD1 ILE A 71 98.621 108.295 -28.458 1.00 0.00 C ATOM 0 H ILE A 71 99.177 104.822 -26.874 1.00 0.00 H new ATOM 0 HA ILE A 71 102.033 105.595 -26.717 1.00 0.00 H new ATOM 0 HB ILE A 71 101.180 107.736 -27.584 1.00 0.00 H new ATOM 0 HG12 ILE A 71 98.468 106.412 -27.440 1.00 0.00 H new ATOM 0 HG13 ILE A 71 99.030 107.728 -26.429 1.00 0.00 H new ATOM 0 HG21 ILE A 71 100.493 106.934 -29.795 1.00 0.00 H new ATOM 0 HG22 ILE A 71 101.854 105.989 -29.147 1.00 0.00 H new ATOM 0 HG23 ILE A 71 100.209 105.311 -29.122 1.00 0.00 H new ATOM 0 HD11 ILE A 71 97.589 108.566 -28.237 1.00 0.00 H new ATOM 0 HD12 ILE A 71 99.245 109.188 -28.425 1.00 0.00 H new ATOM 0 HD13 ILE A 71 98.675 107.851 -29.452 1.00 0.00 H new ATOM 1111 N THR A 72 101.941 107.164 -24.800 1.00 0.00 N ATOM 1112 CA THR A 72 101.922 107.847 -23.514 1.00 0.00 C ATOM 1113 C THR A 72 101.111 109.140 -23.650 1.00 0.00 C ATOM 1114 O THR A 72 100.700 109.543 -24.732 1.00 0.00 O ATOM 1115 CB THR A 72 103.348 108.123 -22.963 1.00 0.00 C ATOM 1116 OG1 THR A 72 103.566 109.470 -22.623 1.00 0.00 O ATOM 1117 CG2 THR A 72 104.510 107.665 -23.857 1.00 0.00 C ATOM 0 H THR A 72 102.799 107.258 -25.343 1.00 0.00 H new ATOM 0 HA THR A 72 101.446 107.193 -22.783 1.00 0.00 H new ATOM 0 HB THR A 72 103.356 107.502 -22.067 1.00 0.00 H new ATOM 0 HG1 THR A 72 104.348 109.537 -22.036 1.00 0.00 H new ATOM 0 HG21 THR A 72 105.457 107.907 -23.375 1.00 0.00 H new ATOM 0 HG22 THR A 72 104.447 106.588 -24.012 1.00 0.00 H new ATOM 0 HG23 THR A 72 104.452 108.174 -24.819 1.00 0.00 H new ATOM 1125 N GLY A 73 100.914 109.758 -22.472 1.00 0.00 N ATOM 1126 CA GLY A 73 100.326 111.089 -22.485 1.00 0.00 C ATOM 1127 C GLY A 73 101.087 112.097 -23.377 1.00 0.00 C ATOM 1128 O GLY A 73 100.498 113.051 -23.871 1.00 0.00 O ATOM 0 H GLY A 73 101.141 109.377 -21.554 1.00 0.00 H new ATOM 0 HA2 GLY A 73 99.295 111.017 -22.831 1.00 0.00 H new ATOM 0 HA3 GLY A 73 100.294 111.472 -21.465 1.00 0.00 H new ATOM 1132 N GLU A 74 102.407 111.855 -23.568 1.00 0.00 N ATOM 1133 CA GLU A 74 103.141 112.775 -24.430 1.00 0.00 C ATOM 1134 C GLU A 74 102.528 112.826 -25.839 1.00 0.00 C ATOM 1135 O GLU A 74 102.199 113.891 -26.345 1.00 0.00 O ATOM 1136 CB GLU A 74 104.614 112.375 -24.540 1.00 0.00 C ATOM 1137 CG GLU A 74 105.287 112.208 -23.175 1.00 0.00 C ATOM 1138 CD GLU A 74 105.921 110.821 -23.025 1.00 0.00 C ATOM 1139 OE1 GLU A 74 106.439 110.299 -24.013 1.00 0.00 O ATOM 1140 OE2 GLU A 74 105.893 110.279 -21.921 1.00 0.00 O ATOM 0 H GLU A 74 102.942 111.086 -23.165 1.00 0.00 H new ATOM 0 HA GLU A 74 103.071 113.762 -23.973 1.00 0.00 H new ATOM 0 HB2 GLU A 74 104.691 111.440 -25.095 1.00 0.00 H new ATOM 0 HB3 GLU A 74 105.149 113.131 -25.114 1.00 0.00 H new ATOM 0 HG2 GLU A 74 106.052 112.974 -23.050 1.00 0.00 H new ATOM 0 HG3 GLU A 74 104.552 112.360 -22.385 1.00 0.00 H new ATOM 1147 N ALA A 75 102.363 111.619 -26.419 1.00 0.00 N ATOM 1148 CA ALA A 75 101.710 111.537 -27.718 1.00 0.00 C ATOM 1149 C ALA A 75 100.306 112.154 -27.681 1.00 0.00 C ATOM 1150 O ALA A 75 99.959 112.967 -28.523 1.00 0.00 O ATOM 1151 CB ALA A 75 101.604 110.071 -28.146 1.00 0.00 C ATOM 0 H ALA A 75 102.662 110.729 -26.020 1.00 0.00 H new ATOM 0 HA ALA A 75 102.312 112.098 -28.433 1.00 0.00 H new ATOM 0 HB1 ALA A 75 101.115 110.010 -29.118 1.00 0.00 H new ATOM 0 HB2 ALA A 75 102.602 109.639 -28.214 1.00 0.00 H new ATOM 0 HB3 ALA A 75 101.019 109.519 -27.411 1.00 0.00 H new ATOM 1157 N GLN A 76 99.535 111.757 -26.654 1.00 0.00 N ATOM 1158 CA GLN A 76 98.135 112.165 -26.639 1.00 0.00 C ATOM 1159 C GLN A 76 97.952 113.702 -26.765 1.00 0.00 C ATOM 1160 O GLN A 76 97.008 114.172 -27.389 1.00 0.00 O ATOM 1161 CB GLN A 76 97.481 111.639 -25.363 1.00 0.00 C ATOM 1162 CG GLN A 76 96.748 110.329 -25.637 1.00 0.00 C ATOM 1163 CD GLN A 76 95.553 110.578 -26.560 1.00 0.00 C ATOM 1164 OE1 GLN A 76 95.067 111.694 -26.703 1.00 0.00 O ATOM 1165 NE2 GLN A 76 95.120 109.461 -27.172 1.00 0.00 N ATOM 0 H GLN A 76 99.842 111.185 -25.867 1.00 0.00 H new ATOM 0 HA GLN A 76 97.648 111.735 -27.514 1.00 0.00 H new ATOM 0 HB2 GLN A 76 98.240 111.484 -24.596 1.00 0.00 H new ATOM 0 HB3 GLN A 76 96.782 112.379 -24.974 1.00 0.00 H new ATOM 0 HG2 GLN A 76 97.428 109.612 -26.096 1.00 0.00 H new ATOM 0 HG3 GLN A 76 96.408 109.891 -24.699 1.00 0.00 H new ATOM 0 HE21 GLN A 76 95.584 108.570 -26.995 1.00 0.00 H new ATOM 0 HE22 GLN A 76 94.328 109.505 -27.813 1.00 0.00 H new ATOM 1174 N ASP A 77 98.892 114.445 -26.149 1.00 0.00 N ATOM 1175 CA ASP A 77 98.894 115.889 -26.314 1.00 0.00 C ATOM 1176 C ASP A 77 99.234 116.289 -27.762 1.00 0.00 C ATOM 1177 O ASP A 77 98.591 117.149 -28.352 1.00 0.00 O ATOM 1178 CB ASP A 77 99.918 116.502 -25.360 1.00 0.00 C ATOM 1179 CG ASP A 77 99.561 117.961 -25.074 1.00 0.00 C ATOM 1180 OD1 ASP A 77 99.372 118.717 -26.026 1.00 0.00 O ATOM 1181 OD2 ASP A 77 99.474 118.326 -23.902 1.00 0.00 O ATOM 0 H ASP A 77 99.632 114.073 -25.554 1.00 0.00 H new ATOM 0 HA ASP A 77 97.895 116.262 -26.087 1.00 0.00 H new ATOM 0 HB2 ASP A 77 99.943 115.936 -24.429 1.00 0.00 H new ATOM 0 HB3 ASP A 77 100.915 116.442 -25.797 1.00 0.00 H new ATOM 1186 N ILE A 78 100.276 115.617 -28.295 1.00 0.00 N ATOM 1187 CA ILE A 78 100.741 115.967 -29.623 1.00 0.00 C ATOM 1188 C ILE A 78 99.650 115.716 -30.681 1.00 0.00 C ATOM 1189 O ILE A 78 99.390 116.557 -31.531 1.00 0.00 O ATOM 1190 CB ILE A 78 101.978 115.110 -29.927 1.00 0.00 C ATOM 1191 CG1 ILE A 78 103.164 115.430 -29.012 1.00 0.00 C ATOM 1192 CG2 ILE A 78 102.398 115.193 -31.398 1.00 0.00 C ATOM 1193 CD1 ILE A 78 103.200 116.878 -28.513 1.00 0.00 C ATOM 0 H ILE A 78 100.784 114.861 -27.836 1.00 0.00 H new ATOM 0 HA ILE A 78 100.987 117.028 -29.657 1.00 0.00 H new ATOM 0 HB ILE A 78 101.675 114.084 -29.721 1.00 0.00 H new ATOM 0 HG12 ILE A 78 103.135 114.762 -28.151 1.00 0.00 H new ATOM 0 HG13 ILE A 78 104.089 115.219 -29.548 1.00 0.00 H new ATOM 0 HG21 ILE A 78 103.277 114.570 -31.561 1.00 0.00 H new ATOM 0 HG22 ILE A 78 101.582 114.842 -32.030 1.00 0.00 H new ATOM 0 HG23 ILE A 78 102.634 116.227 -31.651 1.00 0.00 H new ATOM 0 HD11 ILE A 78 104.070 117.020 -27.872 1.00 0.00 H new ATOM 0 HD12 ILE A 78 103.262 117.555 -29.365 1.00 0.00 H new ATOM 0 HD13 ILE A 78 102.293 117.090 -27.946 1.00 0.00 H new ATOM 1205 N ILE A 79 99.042 114.519 -30.585 1.00 0.00 N ATOM 1206 CA ILE A 79 98.067 114.130 -31.585 1.00 0.00 C ATOM 1207 C ILE A 79 96.841 115.056 -31.579 1.00 0.00 C ATOM 1208 O ILE A 79 96.380 115.502 -32.623 1.00 0.00 O ATOM 1209 CB ILE A 79 97.585 112.711 -31.275 1.00 0.00 C ATOM 1210 CG1 ILE A 79 98.720 111.702 -31.075 1.00 0.00 C ATOM 1211 CG2 ILE A 79 96.600 112.237 -32.339 1.00 0.00 C ATOM 1212 CD1 ILE A 79 99.971 112.016 -31.893 1.00 0.00 C ATOM 0 H ILE A 79 99.209 113.835 -29.847 1.00 0.00 H new ATOM 0 HA ILE A 79 98.547 114.191 -32.562 1.00 0.00 H new ATOM 0 HB ILE A 79 97.073 112.764 -30.314 1.00 0.00 H new ATOM 0 HG12 ILE A 79 98.986 111.672 -30.018 1.00 0.00 H new ATOM 0 HG13 ILE A 79 98.362 110.708 -31.342 1.00 0.00 H new ATOM 0 HG21 ILE A 79 96.268 111.226 -32.103 1.00 0.00 H new ATOM 0 HG22 ILE A 79 95.740 112.906 -32.362 1.00 0.00 H new ATOM 0 HG23 ILE A 79 97.088 112.240 -33.314 1.00 0.00 H new ATOM 0 HD11 ILE A 79 100.731 111.259 -31.700 1.00 0.00 H new ATOM 0 HD12 ILE A 79 99.721 112.017 -32.954 1.00 0.00 H new ATOM 0 HD13 ILE A 79 100.355 112.996 -31.610 1.00 0.00 H new ATOM 1224 N SER A 80 96.338 115.316 -30.355 1.00 0.00 N ATOM 1225 CA SER A 80 95.181 116.192 -30.259 1.00 0.00 C ATOM 1226 C SER A 80 95.463 117.585 -30.853 1.00 0.00 C ATOM 1227 O SER A 80 94.677 118.116 -31.628 1.00 0.00 O ATOM 1228 CB SER A 80 94.791 116.318 -28.779 1.00 0.00 C ATOM 1229 OG SER A 80 94.805 115.102 -28.038 1.00 0.00 O ATOM 0 H SER A 80 96.698 114.951 -29.473 1.00 0.00 H new ATOM 0 HA SER A 80 94.364 115.759 -30.836 1.00 0.00 H new ATOM 0 HB2 SER A 80 95.471 117.023 -28.300 1.00 0.00 H new ATOM 0 HB3 SER A 80 93.791 116.748 -28.720 1.00 0.00 H new ATOM 0 HG SER A 80 95.647 115.031 -27.542 1.00 0.00 H new ATOM 1235 N ASN A 81 96.625 118.134 -30.451 1.00 0.00 N ATOM 1236 CA ASN A 81 96.982 119.439 -30.987 1.00 0.00 C ATOM 1237 C ASN A 81 97.196 119.388 -32.512 1.00 0.00 C ATOM 1238 O ASN A 81 96.724 120.244 -33.248 1.00 0.00 O ATOM 1239 CB ASN A 81 98.254 119.951 -30.308 1.00 0.00 C ATOM 1240 CG ASN A 81 98.221 121.478 -30.231 1.00 0.00 C ATOM 1241 OD1 ASN A 81 98.804 122.180 -31.049 1.00 0.00 O ATOM 1242 ND2 ASN A 81 97.500 121.936 -29.193 1.00 0.00 N ATOM 0 H ASN A 81 97.289 117.718 -29.798 1.00 0.00 H new ATOM 0 HA ASN A 81 96.154 120.119 -30.784 1.00 0.00 H new ATOM 0 HB2 ASN A 81 98.338 119.529 -29.307 1.00 0.00 H new ATOM 0 HB3 ASN A 81 99.132 119.625 -30.866 1.00 0.00 H new ATOM 0 HD21 ASN A 81 97.407 122.940 -29.040 1.00 0.00 H new ATOM 0 HD22 ASN A 81 97.046 121.279 -28.558 1.00 0.00 H new ATOM 1249 N ALA A 82 97.934 118.345 -32.936 1.00 0.00 N ATOM 1250 CA ALA A 82 98.344 118.303 -34.327 1.00 0.00 C ATOM 1251 C ALA A 82 97.142 118.140 -35.270 1.00 0.00 C ATOM 1252 O ALA A 82 97.020 118.846 -36.260 1.00 0.00 O ATOM 1253 CB ALA A 82 99.312 117.149 -34.543 1.00 0.00 C ATOM 0 H ALA A 82 98.240 117.562 -32.358 1.00 0.00 H new ATOM 0 HA ALA A 82 98.830 119.251 -34.557 1.00 0.00 H new ATOM 0 HB1 ALA A 82 99.617 117.121 -35.589 1.00 0.00 H new ATOM 0 HB2 ALA A 82 100.190 117.288 -33.912 1.00 0.00 H new ATOM 0 HB3 ALA A 82 98.823 116.210 -34.283 1.00 0.00 H new