USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=13 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 120:sc= -0.629 USER MOD Single : A 12 ASN : amide:sc= -0.0966 X(o=-0.097,f=-0.017) USER MOD Single : A 16 ASN : amide:sc= -0.285 X(o=-0.28,f=-0.0055) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -148:sc= 0.182 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.0355) USER MOD Single : A 33 THR OG1 : rot -84:sc= -1.98! USER MOD Single : A 46 ASN : amide:sc= -1.06 X(o=-1.1,f=-0.85) USER MOD Single : A 50 ASN : amide:sc= -1.27 K(o=-1.3,f=-2.7!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -5.6 K(o=-5.6,f=-2.5) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 146:sc= -1.31 (180deg=-4.13!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -112:sc= 0.881 USER MOD Single : A 72 THR OG1 : rot -100:sc= -1.83 USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 80 SER OG : rot 99:sc= 1.17 USER MOD Single : A 81 ASN : amide:sc= -0.0898 X(o=-0.09,f=0) USER MOD ----------------------------------------------------------------- ATOM 53 N VAL A 4 100.932 114.259 -41.174 1.00 0.00 N ATOM 54 CA VAL A 4 102.185 113.935 -40.510 1.00 0.00 C ATOM 55 C VAL A 4 103.120 115.155 -40.387 1.00 0.00 C ATOM 56 O VAL A 4 103.795 115.333 -39.385 1.00 0.00 O ATOM 57 CB VAL A 4 102.894 112.809 -41.260 1.00 0.00 C ATOM 58 CG1 VAL A 4 101.987 111.588 -41.429 1.00 0.00 C ATOM 59 CG2 VAL A 4 103.442 113.291 -42.599 1.00 0.00 C ATOM 0 HA VAL A 4 101.941 113.612 -39.498 1.00 0.00 H new ATOM 0 HB VAL A 4 103.744 112.498 -40.653 1.00 0.00 H new ATOM 0 HG11 VAL A 4 102.525 110.807 -41.967 1.00 0.00 H new ATOM 0 HG12 VAL A 4 101.692 111.216 -40.448 1.00 0.00 H new ATOM 0 HG13 VAL A 4 101.098 111.870 -41.993 1.00 0.00 H new ATOM 0 HG21 VAL A 4 103.940 112.465 -43.107 1.00 0.00 H new ATOM 0 HG22 VAL A 4 102.622 113.656 -43.218 1.00 0.00 H new ATOM 0 HG23 VAL A 4 104.156 114.097 -42.431 1.00 0.00 H new ATOM 69 N THR A 5 103.135 115.979 -41.450 1.00 0.00 N ATOM 70 CA THR A 5 103.904 117.209 -41.365 1.00 0.00 C ATOM 71 C THR A 5 103.431 118.102 -40.191 1.00 0.00 C ATOM 72 O THR A 5 104.237 118.724 -39.510 1.00 0.00 O ATOM 73 CB THR A 5 103.695 117.977 -42.679 1.00 0.00 C ATOM 74 OG1 THR A 5 104.041 117.203 -43.812 1.00 0.00 O ATOM 75 CG2 THR A 5 104.356 119.360 -42.662 1.00 0.00 C ATOM 0 H THR A 5 102.647 115.819 -42.331 1.00 0.00 H new ATOM 0 HA THR A 5 104.952 116.961 -41.197 1.00 0.00 H new ATOM 0 HB THR A 5 102.625 118.168 -42.766 1.00 0.00 H new ATOM 0 HG1 THR A 5 103.891 117.729 -44.625 1.00 0.00 H new ATOM 0 HG21 THR A 5 104.178 119.860 -43.614 1.00 0.00 H new ATOM 0 HG22 THR A 5 103.932 119.956 -41.854 1.00 0.00 H new ATOM 0 HG23 THR A 5 105.429 119.249 -42.506 1.00 0.00 H new ATOM 83 N TYR A 6 102.097 118.128 -39.999 1.00 0.00 N ATOM 84 CA TYR A 6 101.558 118.748 -38.798 1.00 0.00 C ATOM 85 C TYR A 6 101.974 118.008 -37.512 1.00 0.00 C ATOM 86 O TYR A 6 102.218 118.641 -36.496 1.00 0.00 O ATOM 87 CB TYR A 6 100.032 118.853 -38.886 1.00 0.00 C ATOM 88 CG TYR A 6 99.590 119.900 -39.879 1.00 0.00 C ATOM 89 CD1 TYR A 6 100.047 121.238 -39.754 1.00 0.00 C ATOM 90 CD2 TYR A 6 98.718 119.571 -40.949 1.00 0.00 C ATOM 91 CE1 TYR A 6 99.653 122.227 -40.687 1.00 0.00 C ATOM 92 CE2 TYR A 6 98.322 120.557 -41.886 1.00 0.00 C ATOM 93 CZ TYR A 6 98.792 121.886 -41.757 1.00 0.00 C ATOM 94 OH TYR A 6 98.412 122.846 -42.672 1.00 0.00 O ATOM 0 H TYR A 6 101.405 117.740 -40.640 1.00 0.00 H new ATOM 0 HA TYR A 6 101.983 119.750 -38.740 1.00 0.00 H new ATOM 0 HB2 TYR A 6 99.619 117.886 -39.172 1.00 0.00 H new ATOM 0 HB3 TYR A 6 99.629 119.094 -37.902 1.00 0.00 H new ATOM 0 HD1 TYR A 6 100.703 121.504 -38.938 1.00 0.00 H new ATOM 0 HD2 TYR A 6 98.353 118.560 -41.050 1.00 0.00 H new ATOM 0 HE1 TYR A 6 100.009 123.241 -40.582 1.00 0.00 H new ATOM 0 HE2 TYR A 6 97.661 120.295 -42.699 1.00 0.00 H new ATOM 0 HH TYR A 6 97.821 122.444 -43.342 1.00 0.00 H new ATOM 104 N ILE A 7 102.027 116.658 -37.579 1.00 0.00 N ATOM 105 CA ILE A 7 102.515 115.929 -36.412 1.00 0.00 C ATOM 106 C ILE A 7 103.940 116.363 -36.019 1.00 0.00 C ATOM 107 O ILE A 7 104.234 116.616 -34.859 1.00 0.00 O ATOM 108 CB ILE A 7 102.468 114.424 -36.690 1.00 0.00 C ATOM 109 CG1 ILE A 7 101.027 113.961 -36.884 1.00 0.00 C ATOM 110 CG2 ILE A 7 103.145 113.621 -35.576 1.00 0.00 C ATOM 111 CD1 ILE A 7 100.300 113.855 -35.549 1.00 0.00 C ATOM 0 H ILE A 7 101.754 116.090 -38.381 1.00 0.00 H new ATOM 0 HA ILE A 7 101.865 116.163 -35.569 1.00 0.00 H new ATOM 0 HB ILE A 7 103.023 114.242 -37.610 1.00 0.00 H new ATOM 0 HG12 ILE A 7 100.501 114.661 -37.533 1.00 0.00 H new ATOM 0 HG13 ILE A 7 101.017 112.993 -37.385 1.00 0.00 H new ATOM 0 HG21 ILE A 7 103.091 112.558 -35.810 1.00 0.00 H new ATOM 0 HG22 ILE A 7 104.189 113.922 -35.494 1.00 0.00 H new ATOM 0 HG23 ILE A 7 102.637 113.811 -34.630 1.00 0.00 H new ATOM 0 HD11 ILE A 7 99.276 113.523 -35.718 1.00 0.00 H new ATOM 0 HD12 ILE A 7 100.814 113.136 -34.911 1.00 0.00 H new ATOM 0 HD13 ILE A 7 100.290 114.830 -35.062 1.00 0.00 H new ATOM 123 N ILE A 8 104.792 116.425 -37.056 1.00 0.00 N ATOM 124 CA ILE A 8 106.141 116.932 -36.871 1.00 0.00 C ATOM 125 C ILE A 8 106.131 118.352 -36.263 1.00 0.00 C ATOM 126 O ILE A 8 106.897 118.658 -35.357 1.00 0.00 O ATOM 127 CB ILE A 8 106.857 116.941 -38.225 1.00 0.00 C ATOM 128 CG1 ILE A 8 106.884 115.547 -38.865 1.00 0.00 C ATOM 129 CG2 ILE A 8 108.273 117.498 -38.085 1.00 0.00 C ATOM 130 CD1 ILE A 8 107.157 115.609 -40.368 1.00 0.00 C ATOM 0 H ILE A 8 104.568 116.135 -38.008 1.00 0.00 H new ATOM 0 HA ILE A 8 106.669 116.281 -36.174 1.00 0.00 H new ATOM 0 HB ILE A 8 106.291 117.594 -38.888 1.00 0.00 H new ATOM 0 HG12 ILE A 8 107.651 114.942 -38.382 1.00 0.00 H new ATOM 0 HG13 ILE A 8 105.930 115.050 -38.691 1.00 0.00 H new ATOM 0 HG21 ILE A 8 108.763 117.495 -39.059 1.00 0.00 H new ATOM 0 HG22 ILE A 8 108.227 118.519 -37.705 1.00 0.00 H new ATOM 0 HG23 ILE A 8 108.841 116.878 -37.391 1.00 0.00 H new ATOM 0 HD11 ILE A 8 107.167 114.599 -40.778 1.00 0.00 H new ATOM 0 HD12 ILE A 8 106.375 116.191 -40.856 1.00 0.00 H new ATOM 0 HD13 ILE A 8 108.124 116.081 -40.543 1.00 0.00 H new ATOM 142 N LYS A 9 105.224 119.190 -36.808 1.00 0.00 N ATOM 143 CA LYS A 9 105.072 120.531 -36.271 1.00 0.00 C ATOM 144 C LYS A 9 104.684 120.505 -34.780 1.00 0.00 C ATOM 145 O LYS A 9 105.306 121.157 -33.950 1.00 0.00 O ATOM 146 CB LYS A 9 103.972 121.242 -37.057 1.00 0.00 C ATOM 147 CG LYS A 9 104.050 122.762 -36.913 1.00 0.00 C ATOM 148 CD LYS A 9 104.699 123.418 -38.132 1.00 0.00 C ATOM 149 CE LYS A 9 106.104 122.876 -38.392 1.00 0.00 C ATOM 150 NZ LYS A 9 106.645 123.323 -39.670 1.00 0.00 N ATOM 0 H LYS A 9 104.612 118.961 -37.591 1.00 0.00 H new ATOM 0 HA LYS A 9 106.025 121.052 -36.363 1.00 0.00 H new ATOM 0 HB2 LYS A 9 104.050 120.974 -38.111 1.00 0.00 H new ATOM 0 HB3 LYS A 9 102.998 120.895 -36.711 1.00 0.00 H new ATOM 0 HG2 LYS A 9 103.047 123.165 -36.775 1.00 0.00 H new ATOM 0 HG3 LYS A 9 104.621 123.013 -36.019 1.00 0.00 H new ATOM 0 HD2 LYS A 9 104.076 123.248 -39.010 1.00 0.00 H new ATOM 0 HD3 LYS A 9 104.748 124.496 -37.980 1.00 0.00 H new ATOM 0 HE2 LYS A 9 106.768 123.195 -37.588 1.00 0.00 H new ATOM 0 HE3 LYS A 9 106.080 121.786 -38.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 107.599 122.929 -39.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 106.028 122.997 -40.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 106.695 124.362 -39.682 1.00 0.00 H new ATOM 164 N ALA A 10 103.627 119.718 -34.499 1.00 0.00 N ATOM 165 CA ALA A 10 103.016 119.789 -33.181 1.00 0.00 C ATOM 166 C ALA A 10 103.954 119.215 -32.105 1.00 0.00 C ATOM 167 O ALA A 10 104.143 119.806 -31.049 1.00 0.00 O ATOM 168 CB ALA A 10 101.688 119.030 -33.177 1.00 0.00 C ATOM 0 H ALA A 10 103.201 119.055 -35.146 1.00 0.00 H new ATOM 0 HA ALA A 10 102.831 120.838 -32.948 1.00 0.00 H new ATOM 0 HB1 ALA A 10 101.238 119.089 -32.186 1.00 0.00 H new ATOM 0 HB2 ALA A 10 101.013 119.474 -33.909 1.00 0.00 H new ATOM 0 HB3 ALA A 10 101.865 117.986 -33.434 1.00 0.00 H new ATOM 174 N SER A 11 104.526 118.035 -32.433 1.00 0.00 N ATOM 175 CA SER A 11 105.528 117.459 -31.554 1.00 0.00 C ATOM 176 C SER A 11 106.659 118.451 -31.217 1.00 0.00 C ATOM 177 O SER A 11 107.057 118.599 -30.068 1.00 0.00 O ATOM 178 CB SER A 11 106.124 116.204 -32.211 1.00 0.00 C ATOM 179 OG SER A 11 107.275 115.678 -31.561 1.00 0.00 O ATOM 0 H SER A 11 104.312 117.492 -33.270 1.00 0.00 H new ATOM 0 HA SER A 11 105.032 117.202 -30.618 1.00 0.00 H new ATOM 0 HB2 SER A 11 105.357 115.430 -32.244 1.00 0.00 H new ATOM 0 HB3 SER A 11 106.383 116.440 -33.243 1.00 0.00 H new ATOM 0 HG SER A 11 107.095 114.760 -31.269 1.00 0.00 H new ATOM 185 N ASN A 12 107.136 119.098 -32.305 1.00 0.00 N ATOM 186 CA ASN A 12 108.192 120.108 -32.281 1.00 0.00 C ATOM 187 C ASN A 12 109.480 119.528 -32.862 1.00 0.00 C ATOM 188 O ASN A 12 110.484 119.361 -32.180 1.00 0.00 O ATOM 189 CB ASN A 12 108.458 120.669 -30.881 1.00 0.00 C ATOM 190 CG ASN A 12 109.373 121.892 -30.974 1.00 0.00 C ATOM 191 OD1 ASN A 12 110.520 121.876 -30.545 1.00 0.00 O ATOM 192 ND2 ASN A 12 108.783 122.947 -31.563 1.00 0.00 N ATOM 0 H ASN A 12 106.780 118.919 -33.244 1.00 0.00 H new ATOM 0 HA ASN A 12 107.844 120.941 -32.892 1.00 0.00 H new ATOM 0 HB2 ASN A 12 107.517 120.944 -30.405 1.00 0.00 H new ATOM 0 HB3 ASN A 12 108.920 119.905 -30.256 1.00 0.00 H new ATOM 0 HD21 ASN A 12 109.298 123.820 -31.680 1.00 0.00 H new ATOM 0 HD22 ASN A 12 107.821 122.875 -31.893 1.00 0.00 H new ATOM 199 N ASP A 13 109.373 119.235 -34.173 1.00 0.00 N ATOM 200 CA ASP A 13 110.546 118.789 -34.915 1.00 0.00 C ATOM 201 C ASP A 13 111.262 117.617 -34.216 1.00 0.00 C ATOM 202 O ASP A 13 112.474 117.623 -34.035 1.00 0.00 O ATOM 203 CB ASP A 13 111.515 119.957 -35.093 1.00 0.00 C ATOM 204 CG ASP A 13 112.367 119.739 -36.345 1.00 0.00 C ATOM 205 OD1 ASP A 13 113.201 118.835 -36.337 1.00 0.00 O ATOM 206 OD2 ASP A 13 112.184 120.474 -37.315 1.00 0.00 O ATOM 0 H ASP A 13 108.512 119.299 -34.717 1.00 0.00 H new ATOM 0 HA ASP A 13 110.208 118.433 -35.888 1.00 0.00 H new ATOM 0 HB2 ASP A 13 110.960 120.892 -35.178 1.00 0.00 H new ATOM 0 HB3 ASP A 13 112.157 120.046 -34.216 1.00 0.00 H new ATOM 211 N VAL A 14 110.435 116.620 -33.841 1.00 0.00 N ATOM 212 CA VAL A 14 110.955 115.289 -33.575 1.00 0.00 C ATOM 213 C VAL A 14 110.747 114.396 -34.806 1.00 0.00 C ATOM 214 O VAL A 14 111.693 113.905 -35.411 1.00 0.00 O ATOM 215 CB VAL A 14 110.225 114.720 -32.359 1.00 0.00 C ATOM 216 CG1 VAL A 14 110.549 113.241 -32.137 1.00 0.00 C ATOM 217 CG2 VAL A 14 110.552 115.537 -31.108 1.00 0.00 C ATOM 0 H VAL A 14 109.427 116.720 -33.721 1.00 0.00 H new ATOM 0 HA VAL A 14 112.024 115.331 -33.367 1.00 0.00 H new ATOM 0 HB VAL A 14 109.156 114.791 -32.557 1.00 0.00 H new ATOM 0 HG11 VAL A 14 110.009 112.877 -31.263 1.00 0.00 H new ATOM 0 HG12 VAL A 14 110.248 112.667 -33.014 1.00 0.00 H new ATOM 0 HG13 VAL A 14 111.621 113.123 -31.976 1.00 0.00 H new ATOM 0 HG21 VAL A 14 110.024 115.118 -30.251 1.00 0.00 H new ATOM 0 HG22 VAL A 14 111.626 115.505 -30.923 1.00 0.00 H new ATOM 0 HG23 VAL A 14 110.240 116.571 -31.257 1.00 0.00 H new ATOM 227 N LEU A 15 109.452 114.223 -35.133 1.00 0.00 N ATOM 228 CA LEU A 15 109.111 113.164 -36.064 1.00 0.00 C ATOM 229 C LEU A 15 109.708 113.477 -37.441 1.00 0.00 C ATOM 230 O LEU A 15 110.273 114.538 -37.677 1.00 0.00 O ATOM 231 CB LEU A 15 107.587 113.028 -36.194 1.00 0.00 C ATOM 232 CG LEU A 15 106.856 112.574 -34.924 1.00 0.00 C ATOM 233 CD1 LEU A 15 107.278 111.181 -34.448 1.00 0.00 C ATOM 234 CD2 LEU A 15 106.973 113.593 -33.793 1.00 0.00 C ATOM 0 H LEU A 15 108.671 114.777 -34.781 1.00 0.00 H new ATOM 0 HA LEU A 15 109.519 112.227 -35.686 1.00 0.00 H new ATOM 0 HB2 LEU A 15 107.179 113.990 -36.504 1.00 0.00 H new ATOM 0 HB3 LEU A 15 107.369 112.318 -36.992 1.00 0.00 H new ATOM 0 HG LEU A 15 105.806 112.506 -35.208 1.00 0.00 H new ATOM 0 HD11 LEU A 15 106.723 110.921 -33.546 1.00 0.00 H new ATOM 0 HD12 LEU A 15 107.065 110.450 -35.228 1.00 0.00 H new ATOM 0 HD13 LEU A 15 108.346 111.179 -34.230 1.00 0.00 H new ATOM 0 HD21 LEU A 15 106.439 113.226 -32.916 1.00 0.00 H new ATOM 0 HD22 LEU A 15 108.024 113.740 -33.543 1.00 0.00 H new ATOM 0 HD23 LEU A 15 106.539 114.541 -34.111 1.00 0.00 H new ATOM 246 N ASN A 16 109.541 112.475 -38.326 1.00 0.00 N ATOM 247 CA ASN A 16 109.434 112.769 -39.749 1.00 0.00 C ATOM 248 C ASN A 16 107.946 112.745 -40.142 1.00 0.00 C ATOM 249 O ASN A 16 107.070 112.916 -39.305 1.00 0.00 O ATOM 250 CB ASN A 16 110.270 111.750 -40.539 1.00 0.00 C ATOM 251 CG ASN A 16 111.753 111.895 -40.185 1.00 0.00 C ATOM 252 OD1 ASN A 16 112.404 110.962 -39.729 1.00 0.00 O ATOM 253 ND2 ASN A 16 112.234 113.127 -40.429 1.00 0.00 N ATOM 0 H ASN A 16 109.480 111.487 -38.081 1.00 0.00 H new ATOM 0 HA ASN A 16 109.827 113.759 -39.982 1.00 0.00 H new ATOM 0 HB2 ASN A 16 109.932 110.739 -40.314 1.00 0.00 H new ATOM 0 HB3 ASN A 16 110.127 111.903 -41.609 1.00 0.00 H new ATOM 0 HD21 ASN A 16 113.212 113.341 -40.232 1.00 0.00 H new ATOM 0 HD22 ASN A 16 111.621 113.847 -40.811 1.00 0.00 H new ATOM 260 N GLU A 17 107.710 112.528 -41.453 1.00 0.00 N ATOM 261 CA GLU A 17 106.494 111.833 -41.858 1.00 0.00 C ATOM 262 C GLU A 17 106.339 110.485 -41.132 1.00 0.00 C ATOM 263 O GLU A 17 105.338 110.218 -40.482 1.00 0.00 O ATOM 264 CB GLU A 17 106.516 111.609 -43.370 1.00 0.00 C ATOM 265 CG GLU A 17 106.518 112.927 -44.144 1.00 0.00 C ATOM 266 CD GLU A 17 107.096 112.707 -45.544 1.00 0.00 C ATOM 267 OE1 GLU A 17 106.331 112.384 -46.451 1.00 0.00 O ATOM 268 OE2 GLU A 17 108.305 112.863 -45.712 1.00 0.00 O ATOM 0 H GLU A 17 108.325 112.815 -42.214 1.00 0.00 H new ATOM 0 HA GLU A 17 105.642 112.455 -41.585 1.00 0.00 H new ATOM 0 HB2 GLU A 17 107.400 111.030 -43.638 1.00 0.00 H new ATOM 0 HB3 GLU A 17 105.647 111.019 -43.662 1.00 0.00 H new ATOM 0 HG2 GLU A 17 105.503 113.318 -44.217 1.00 0.00 H new ATOM 0 HG3 GLU A 17 107.108 113.672 -43.610 1.00 0.00 H new ATOM 275 N LYS A 18 107.394 109.662 -41.290 1.00 0.00 N ATOM 276 CA LYS A 18 107.217 108.233 -41.085 1.00 0.00 C ATOM 277 C LYS A 18 106.841 107.901 -39.630 1.00 0.00 C ATOM 278 O LYS A 18 105.895 107.171 -39.365 1.00 0.00 O ATOM 279 CB LYS A 18 108.508 107.515 -41.464 1.00 0.00 C ATOM 280 CG LYS A 18 108.744 107.572 -42.964 1.00 0.00 C ATOM 281 CD LYS A 18 110.228 107.451 -43.289 1.00 0.00 C ATOM 282 CE LYS A 18 110.472 106.738 -44.618 1.00 0.00 C ATOM 283 NZ LYS A 18 110.406 107.646 -45.756 1.00 0.00 N ATOM 0 H LYS A 18 108.336 109.956 -41.548 1.00 0.00 H new ATOM 0 HA LYS A 18 106.395 107.897 -41.717 1.00 0.00 H new ATOM 0 HB2 LYS A 18 109.349 107.972 -40.943 1.00 0.00 H new ATOM 0 HB3 LYS A 18 108.459 106.476 -41.139 1.00 0.00 H new ATOM 0 HG2 LYS A 18 108.194 106.768 -43.453 1.00 0.00 H new ATOM 0 HG3 LYS A 18 108.357 108.510 -43.361 1.00 0.00 H new ATOM 0 HD2 LYS A 18 110.672 108.446 -43.325 1.00 0.00 H new ATOM 0 HD3 LYS A 18 110.730 106.907 -42.489 1.00 0.00 H new ATOM 0 HE2 LYS A 18 111.451 106.258 -44.596 1.00 0.00 H new ATOM 0 HE3 LYS A 18 109.732 105.947 -44.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 110.578 107.115 -46.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 109.464 108.085 -45.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 111.129 108.386 -45.652 1.00 0.00 H new ATOM 297 N THR A 19 107.639 108.484 -38.714 1.00 0.00 N ATOM 298 CA THR A 19 107.314 108.349 -37.302 1.00 0.00 C ATOM 299 C THR A 19 105.996 109.044 -36.907 1.00 0.00 C ATOM 300 O THR A 19 105.294 108.589 -36.012 1.00 0.00 O ATOM 301 CB THR A 19 108.478 108.891 -36.471 1.00 0.00 C ATOM 302 OG1 THR A 19 108.787 110.215 -36.842 1.00 0.00 O ATOM 303 CG2 THR A 19 109.712 107.992 -36.596 1.00 0.00 C ATOM 0 H THR A 19 108.476 109.028 -38.924 1.00 0.00 H new ATOM 0 HA THR A 19 107.161 107.289 -37.100 1.00 0.00 H new ATOM 0 HB THR A 19 108.168 108.893 -35.426 1.00 0.00 H new ATOM 0 HG1 THR A 19 109.747 110.372 -36.726 1.00 0.00 H new ATOM 0 HG21 THR A 19 110.523 108.402 -35.995 1.00 0.00 H new ATOM 0 HG22 THR A 19 109.469 106.990 -36.243 1.00 0.00 H new ATOM 0 HG23 THR A 19 110.023 107.943 -37.640 1.00 0.00 H new ATOM 311 N ALA A 20 105.697 110.161 -37.596 1.00 0.00 N ATOM 312 CA ALA A 20 104.439 110.833 -37.319 1.00 0.00 C ATOM 313 C ALA A 20 103.221 109.936 -37.626 1.00 0.00 C ATOM 314 O ALA A 20 102.296 109.841 -36.830 1.00 0.00 O ATOM 315 CB ALA A 20 104.379 112.108 -38.168 1.00 0.00 C ATOM 0 H ALA A 20 106.283 110.591 -38.311 1.00 0.00 H new ATOM 0 HA ALA A 20 104.397 111.072 -36.256 1.00 0.00 H new ATOM 0 HB1 ALA A 20 103.441 112.629 -37.976 1.00 0.00 H new ATOM 0 HB2 ALA A 20 105.215 112.757 -37.909 1.00 0.00 H new ATOM 0 HB3 ALA A 20 104.438 111.845 -39.224 1.00 0.00 H new ATOM 321 N THR A 21 103.269 109.291 -38.809 1.00 0.00 N ATOM 322 CA THR A 21 102.192 108.363 -39.140 1.00 0.00 C ATOM 323 C THR A 21 102.169 107.114 -38.239 1.00 0.00 C ATOM 324 O THR A 21 101.118 106.651 -37.814 1.00 0.00 O ATOM 325 CB THR A 21 102.257 107.992 -40.626 1.00 0.00 C ATOM 326 OG1 THR A 21 101.153 107.208 -41.023 1.00 0.00 O ATOM 327 CG2 THR A 21 103.578 107.338 -41.038 1.00 0.00 C ATOM 0 H THR A 21 104.002 109.392 -39.511 1.00 0.00 H new ATOM 0 HA THR A 21 101.250 108.876 -38.946 1.00 0.00 H new ATOM 0 HB THR A 21 102.208 108.940 -41.162 1.00 0.00 H new ATOM 0 HG1 THR A 21 101.230 106.993 -41.976 1.00 0.00 H new ATOM 0 HG21 THR A 21 103.551 107.103 -42.102 1.00 0.00 H new ATOM 0 HG22 THR A 21 104.401 108.024 -40.838 1.00 0.00 H new ATOM 0 HG23 THR A 21 103.723 106.421 -40.468 1.00 0.00 H new ATOM 335 N ILE A 22 103.381 106.594 -37.990 1.00 0.00 N ATOM 336 CA ILE A 22 103.489 105.390 -37.178 1.00 0.00 C ATOM 337 C ILE A 22 102.946 105.623 -35.757 1.00 0.00 C ATOM 338 O ILE A 22 102.120 104.868 -35.255 1.00 0.00 O ATOM 339 CB ILE A 22 104.964 104.995 -37.115 1.00 0.00 C ATOM 340 CG1 ILE A 22 105.487 104.629 -38.509 1.00 0.00 C ATOM 341 CG2 ILE A 22 105.238 103.893 -36.081 1.00 0.00 C ATOM 342 CD1 ILE A 22 105.511 103.122 -38.781 1.00 0.00 C ATOM 0 H ILE A 22 104.264 106.976 -38.328 1.00 0.00 H new ATOM 0 HA ILE A 22 102.894 104.595 -37.628 1.00 0.00 H new ATOM 0 HB ILE A 22 105.520 105.866 -36.769 1.00 0.00 H new ATOM 0 HG12 ILE A 22 104.864 105.115 -39.260 1.00 0.00 H new ATOM 0 HG13 ILE A 22 106.495 105.026 -38.625 1.00 0.00 H new ATOM 0 HG21 ILE A 22 106.301 103.652 -36.079 1.00 0.00 H new ATOM 0 HG22 ILE A 22 104.943 104.241 -35.091 1.00 0.00 H new ATOM 0 HG23 ILE A 22 104.665 103.002 -36.338 1.00 0.00 H new ATOM 0 HD11 ILE A 22 105.892 102.940 -39.786 1.00 0.00 H new ATOM 0 HD12 ILE A 22 106.157 102.631 -38.053 1.00 0.00 H new ATOM 0 HD13 ILE A 22 104.501 102.721 -38.698 1.00 0.00 H new ATOM 354 N LEU A 23 103.462 106.709 -35.148 1.00 0.00 N ATOM 355 CA LEU A 23 102.909 107.169 -33.883 1.00 0.00 C ATOM 356 C LEU A 23 101.377 107.350 -33.943 1.00 0.00 C ATOM 357 O LEU A 23 100.677 107.045 -32.989 1.00 0.00 O ATOM 358 CB LEU A 23 103.603 108.483 -33.494 1.00 0.00 C ATOM 359 CG LEU A 23 102.880 109.297 -32.416 1.00 0.00 C ATOM 360 CD1 LEU A 23 102.762 108.497 -31.118 1.00 0.00 C ATOM 361 CD2 LEU A 23 103.586 110.633 -32.175 1.00 0.00 C ATOM 0 H LEU A 23 104.239 107.263 -35.508 1.00 0.00 H new ATOM 0 HA LEU A 23 103.095 106.409 -33.125 1.00 0.00 H new ATOM 0 HB2 LEU A 23 104.610 108.256 -33.144 1.00 0.00 H new ATOM 0 HB3 LEU A 23 103.708 109.100 -34.386 1.00 0.00 H new ATOM 0 HG LEU A 23 101.872 109.510 -32.772 1.00 0.00 H new ATOM 0 HD11 LEU A 23 102.245 109.095 -30.368 1.00 0.00 H new ATOM 0 HD12 LEU A 23 102.199 107.583 -31.304 1.00 0.00 H new ATOM 0 HD13 LEU A 23 103.758 108.242 -30.756 1.00 0.00 H new ATOM 0 HD21 LEU A 23 103.054 111.192 -31.406 1.00 0.00 H new ATOM 0 HD22 LEU A 23 104.609 110.450 -31.848 1.00 0.00 H new ATOM 0 HD23 LEU A 23 103.598 111.210 -33.100 1.00 0.00 H new ATOM 373 N ILE A 24 100.904 107.872 -35.090 1.00 0.00 N ATOM 374 CA ILE A 24 99.472 108.059 -35.241 1.00 0.00 C ATOM 375 C ILE A 24 98.711 106.724 -35.222 1.00 0.00 C ATOM 376 O ILE A 24 97.704 106.580 -34.542 1.00 0.00 O ATOM 377 CB ILE A 24 99.231 108.860 -36.519 1.00 0.00 C ATOM 378 CG1 ILE A 24 99.674 110.297 -36.264 1.00 0.00 C ATOM 379 CG2 ILE A 24 97.792 108.761 -37.040 1.00 0.00 C ATOM 380 CD1 ILE A 24 98.528 111.184 -35.770 1.00 0.00 C ATOM 0 H ILE A 24 101.473 108.157 -35.887 1.00 0.00 H new ATOM 0 HA ILE A 24 99.079 108.617 -34.391 1.00 0.00 H new ATOM 0 HB ILE A 24 99.826 108.431 -37.325 1.00 0.00 H new ATOM 0 HG12 ILE A 24 100.476 110.301 -35.526 1.00 0.00 H new ATOM 0 HG13 ILE A 24 100.084 110.716 -37.183 1.00 0.00 H new ATOM 0 HG21 ILE A 24 97.693 109.354 -37.949 1.00 0.00 H new ATOM 0 HG22 ILE A 24 97.555 107.720 -37.258 1.00 0.00 H new ATOM 0 HG23 ILE A 24 97.104 109.139 -36.283 1.00 0.00 H new ATOM 0 HD11 ILE A 24 98.897 112.196 -35.604 1.00 0.00 H new ATOM 0 HD12 ILE A 24 97.736 111.205 -36.518 1.00 0.00 H new ATOM 0 HD13 ILE A 24 98.135 110.783 -34.836 1.00 0.00 H new ATOM 392 N THR A 25 99.240 105.765 -36.005 1.00 0.00 N ATOM 393 CA THR A 25 98.522 104.505 -36.117 1.00 0.00 C ATOM 394 C THR A 25 98.342 103.826 -34.743 1.00 0.00 C ATOM 395 O THR A 25 97.256 103.380 -34.395 1.00 0.00 O ATOM 396 CB THR A 25 99.278 103.568 -37.069 1.00 0.00 C ATOM 397 OG1 THR A 25 99.973 104.234 -38.109 1.00 0.00 O ATOM 398 CG2 THR A 25 98.353 102.484 -37.629 1.00 0.00 C ATOM 0 H THR A 25 100.108 105.837 -36.535 1.00 0.00 H new ATOM 0 HA THR A 25 97.529 104.715 -36.514 1.00 0.00 H new ATOM 0 HB THR A 25 100.048 103.095 -36.460 1.00 0.00 H new ATOM 0 HG1 THR A 25 100.430 103.575 -38.672 1.00 0.00 H new ATOM 0 HG21 THR A 25 98.917 101.836 -38.300 1.00 0.00 H new ATOM 0 HG22 THR A 25 97.947 101.892 -36.808 1.00 0.00 H new ATOM 0 HG23 THR A 25 97.535 102.951 -38.178 1.00 0.00 H new ATOM 406 N ILE A 26 99.459 103.776 -33.990 1.00 0.00 N ATOM 407 CA ILE A 26 99.347 103.335 -32.606 1.00 0.00 C ATOM 408 C ILE A 26 98.421 104.255 -31.789 1.00 0.00 C ATOM 409 O ILE A 26 97.512 103.808 -31.101 1.00 0.00 O ATOM 410 CB ILE A 26 100.723 103.302 -31.943 1.00 0.00 C ATOM 411 CG1 ILE A 26 101.765 102.513 -32.744 1.00 0.00 C ATOM 412 CG2 ILE A 26 100.601 102.731 -30.533 1.00 0.00 C ATOM 413 CD1 ILE A 26 103.121 103.217 -32.723 1.00 0.00 C ATOM 0 H ILE A 26 100.397 104.023 -34.304 1.00 0.00 H new ATOM 0 HA ILE A 26 98.918 102.333 -32.623 1.00 0.00 H new ATOM 0 HB ILE A 26 101.080 104.331 -31.904 1.00 0.00 H new ATOM 0 HG12 ILE A 26 101.865 101.510 -32.328 1.00 0.00 H new ATOM 0 HG13 ILE A 26 101.427 102.399 -33.774 1.00 0.00 H new ATOM 0 HG21 ILE A 26 101.584 102.709 -30.063 1.00 0.00 H new ATOM 0 HG22 ILE A 26 99.931 103.357 -29.944 1.00 0.00 H new ATOM 0 HG23 ILE A 26 100.200 101.719 -30.584 1.00 0.00 H new ATOM 0 HD11 ILE A 26 103.842 102.636 -33.299 1.00 0.00 H new ATOM 0 HD12 ILE A 26 103.022 104.210 -33.162 1.00 0.00 H new ATOM 0 HD13 ILE A 26 103.468 103.308 -31.694 1.00 0.00 H new ATOM 425 N ALA A 27 98.720 105.561 -31.915 1.00 0.00 N ATOM 426 CA ALA A 27 98.085 106.555 -31.053 1.00 0.00 C ATOM 427 C ALA A 27 96.549 106.448 -31.069 1.00 0.00 C ATOM 428 O ALA A 27 95.904 106.458 -30.027 1.00 0.00 O ATOM 429 CB ALA A 27 98.476 107.960 -31.524 1.00 0.00 C ATOM 0 H ALA A 27 99.383 105.939 -32.592 1.00 0.00 H new ATOM 0 HA ALA A 27 98.430 106.368 -30.036 1.00 0.00 H new ATOM 0 HB1 ALA A 27 98.003 108.704 -30.882 1.00 0.00 H new ATOM 0 HB2 ALA A 27 99.559 108.073 -31.473 1.00 0.00 H new ATOM 0 HB3 ALA A 27 98.144 108.105 -32.552 1.00 0.00 H new ATOM 435 N LYS A 28 96.005 106.347 -32.298 1.00 0.00 N ATOM 436 CA LYS A 28 94.577 106.111 -32.442 1.00 0.00 C ATOM 437 C LYS A 28 94.151 104.835 -31.696 1.00 0.00 C ATOM 438 O LYS A 28 93.290 104.853 -30.825 1.00 0.00 O ATOM 439 CB LYS A 28 94.219 106.027 -33.934 1.00 0.00 C ATOM 440 CG LYS A 28 93.592 107.326 -34.436 1.00 0.00 C ATOM 441 CD LYS A 28 92.067 107.239 -34.488 1.00 0.00 C ATOM 442 CE LYS A 28 91.451 108.423 -35.235 1.00 0.00 C ATOM 443 NZ LYS A 28 91.222 109.571 -34.365 1.00 0.00 N ATOM 0 H LYS A 28 96.524 106.424 -33.173 1.00 0.00 H new ATOM 0 HA LYS A 28 94.033 106.943 -31.996 1.00 0.00 H new ATOM 0 HB2 LYS A 28 95.117 105.808 -34.512 1.00 0.00 H new ATOM 0 HB3 LYS A 28 93.526 105.201 -34.097 1.00 0.00 H new ATOM 0 HG2 LYS A 28 93.887 108.148 -33.783 1.00 0.00 H new ATOM 0 HG3 LYS A 28 93.977 107.555 -35.430 1.00 0.00 H new ATOM 0 HD2 LYS A 28 91.773 106.310 -34.976 1.00 0.00 H new ATOM 0 HD3 LYS A 28 91.671 107.205 -33.473 1.00 0.00 H new ATOM 0 HE2 LYS A 28 92.110 108.716 -36.053 1.00 0.00 H new ATOM 0 HE3 LYS A 28 90.506 108.115 -35.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 90.804 110.347 -34.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 90.572 109.302 -33.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 92.126 109.884 -33.958 1.00 0.00 H new ATOM 457 N LYS A 29 94.816 103.738 -32.103 1.00 0.00 N ATOM 458 CA LYS A 29 94.311 102.416 -31.797 1.00 0.00 C ATOM 459 C LYS A 29 94.926 101.927 -30.479 1.00 0.00 C ATOM 460 O LYS A 29 96.137 101.847 -30.319 1.00 0.00 O ATOM 461 CB LYS A 29 94.696 101.461 -32.921 1.00 0.00 C ATOM 462 CG LYS A 29 94.116 100.076 -32.681 1.00 0.00 C ATOM 463 CD LYS A 29 94.337 99.171 -33.887 1.00 0.00 C ATOM 464 CE LYS A 29 93.161 99.212 -34.863 1.00 0.00 C ATOM 465 NZ LYS A 29 93.559 98.887 -36.228 1.00 0.00 N ATOM 0 H LYS A 29 95.687 103.754 -32.634 1.00 0.00 H new ATOM 0 HA LYS A 29 93.226 102.451 -31.700 1.00 0.00 H new ATOM 0 HB2 LYS A 29 94.336 101.850 -33.873 1.00 0.00 H new ATOM 0 HB3 LYS A 29 95.782 101.397 -32.993 1.00 0.00 H new ATOM 0 HG2 LYS A 29 94.579 99.632 -31.800 1.00 0.00 H new ATOM 0 HG3 LYS A 29 93.049 100.156 -32.474 1.00 0.00 H new ATOM 0 HD2 LYS A 29 95.247 99.474 -34.405 1.00 0.00 H new ATOM 0 HD3 LYS A 29 94.489 98.147 -33.547 1.00 0.00 H new ATOM 0 HE2 LYS A 29 92.395 98.510 -34.534 1.00 0.00 H new ATOM 0 HE3 LYS A 29 92.712 100.205 -34.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 92.758 98.454 -36.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 93.847 99.756 -36.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 94.356 98.220 -36.208 1.00 0.00 H new ATOM 479 N ASP A 30 94.002 101.608 -29.556 1.00 0.00 N ATOM 480 CA ASP A 30 94.381 101.202 -28.220 1.00 0.00 C ATOM 481 C ASP A 30 94.541 99.677 -28.163 1.00 0.00 C ATOM 482 O ASP A 30 93.573 98.929 -28.204 1.00 0.00 O ATOM 483 CB ASP A 30 93.287 101.636 -27.249 1.00 0.00 C ATOM 484 CG ASP A 30 93.230 103.163 -27.165 1.00 0.00 C ATOM 485 OD1 ASP A 30 94.261 103.774 -26.888 1.00 0.00 O ATOM 486 OD2 ASP A 30 92.155 103.723 -27.375 1.00 0.00 O ATOM 0 H ASP A 30 92.996 101.628 -29.723 1.00 0.00 H new ATOM 0 HA ASP A 30 95.329 101.667 -27.949 1.00 0.00 H new ATOM 0 HB2 ASP A 30 92.324 101.246 -27.578 1.00 0.00 H new ATOM 0 HB3 ASP A 30 93.480 101.217 -26.261 1.00 0.00 H new ATOM 491 N PHE A 31 95.823 99.275 -28.068 1.00 0.00 N ATOM 492 CA PHE A 31 96.167 97.891 -28.373 1.00 0.00 C ATOM 493 C PHE A 31 95.834 97.586 -29.844 1.00 0.00 C ATOM 494 O PHE A 31 95.061 96.690 -30.158 1.00 0.00 O ATOM 495 CB PHE A 31 95.440 96.879 -27.461 1.00 0.00 C ATOM 496 CG PHE A 31 95.530 97.133 -25.969 1.00 0.00 C ATOM 497 CD1 PHE A 31 96.600 97.875 -25.400 1.00 0.00 C ATOM 498 CD2 PHE A 31 94.521 96.625 -25.109 1.00 0.00 C ATOM 499 CE1 PHE A 31 96.646 98.124 -24.006 1.00 0.00 C ATOM 500 CE2 PHE A 31 94.568 96.863 -23.713 1.00 0.00 C ATOM 501 CZ PHE A 31 95.631 97.615 -23.161 1.00 0.00 C ATOM 0 H PHE A 31 96.604 99.870 -27.793 1.00 0.00 H new ATOM 0 HA PHE A 31 97.236 97.780 -28.192 1.00 0.00 H new ATOM 0 HB2 PHE A 31 94.387 96.861 -27.742 1.00 0.00 H new ATOM 0 HB3 PHE A 31 95.841 95.886 -27.664 1.00 0.00 H new ATOM 0 HD1 PHE A 31 97.386 98.253 -26.037 1.00 0.00 H new ATOM 0 HD2 PHE A 31 93.707 96.050 -25.524 1.00 0.00 H new ATOM 0 HE1 PHE A 31 97.456 98.703 -23.588 1.00 0.00 H new ATOM 0 HE2 PHE A 31 93.793 96.471 -23.071 1.00 0.00 H new ATOM 0 HZ PHE A 31 95.668 97.800 -22.098 1.00 0.00 H new ATOM 511 N ILE A 32 96.476 98.395 -30.714 1.00 0.00 N ATOM 512 CA ILE A 32 97.095 97.904 -31.932 1.00 0.00 C ATOM 513 C ILE A 32 98.018 96.708 -31.633 1.00 0.00 C ATOM 514 O ILE A 32 97.895 96.038 -30.618 1.00 0.00 O ATOM 515 CB ILE A 32 97.818 99.083 -32.610 1.00 0.00 C ATOM 516 CG1 ILE A 32 97.902 98.862 -34.116 1.00 0.00 C ATOM 517 CG2 ILE A 32 99.201 99.352 -32.012 1.00 0.00 C ATOM 518 CD1 ILE A 32 98.003 100.181 -34.880 1.00 0.00 C ATOM 0 H ILE A 32 96.571 99.401 -30.579 1.00 0.00 H new ATOM 0 HA ILE A 32 96.345 97.522 -32.624 1.00 0.00 H new ATOM 0 HB ILE A 32 97.223 99.976 -32.419 1.00 0.00 H new ATOM 0 HG12 ILE A 32 98.769 98.243 -34.344 1.00 0.00 H new ATOM 0 HG13 ILE A 32 97.022 98.314 -34.452 1.00 0.00 H new ATOM 0 HG21 ILE A 32 99.663 100.193 -32.529 1.00 0.00 H new ATOM 0 HG22 ILE A 32 99.100 99.588 -30.953 1.00 0.00 H new ATOM 0 HG23 ILE A 32 99.826 98.467 -32.128 1.00 0.00 H new ATOM 0 HD11 ILE A 32 98.061 99.979 -35.949 1.00 0.00 H new ATOM 0 HD12 ILE A 32 97.123 100.790 -34.673 1.00 0.00 H new ATOM 0 HD13 ILE A 32 98.898 100.717 -34.563 1.00 0.00 H new ATOM 530 N THR A 33 98.936 96.476 -32.587 1.00 0.00 N ATOM 531 CA THR A 33 100.291 96.109 -32.197 1.00 0.00 C ATOM 532 C THR A 33 101.279 96.733 -33.190 1.00 0.00 C ATOM 533 O THR A 33 100.907 97.449 -34.112 1.00 0.00 O ATOM 534 CB THR A 33 100.439 94.575 -32.163 1.00 0.00 C ATOM 535 OG1 THR A 33 100.572 94.003 -33.444 1.00 0.00 O ATOM 536 CG2 THR A 33 99.292 93.898 -31.401 1.00 0.00 C ATOM 0 H THR A 33 98.768 96.535 -33.591 1.00 0.00 H new ATOM 0 HA THR A 33 100.504 96.486 -31.196 1.00 0.00 H new ATOM 0 HB THR A 33 101.368 94.391 -31.624 1.00 0.00 H new ATOM 0 HG1 THR A 33 99.684 93.867 -33.835 1.00 0.00 H new ATOM 0 HG21 THR A 33 99.440 92.818 -31.404 1.00 0.00 H new ATOM 0 HG22 THR A 33 99.275 94.259 -30.373 1.00 0.00 H new ATOM 0 HG23 THR A 33 98.344 94.135 -31.884 1.00 0.00 H new ATOM 544 N ALA A 34 102.563 96.411 -32.949 1.00 0.00 N ATOM 545 CA ALA A 34 103.531 96.548 -34.032 1.00 0.00 C ATOM 546 C ALA A 34 103.083 95.831 -35.324 1.00 0.00 C ATOM 547 O ALA A 34 103.204 96.363 -36.420 1.00 0.00 O ATOM 548 CB ALA A 34 104.885 96.004 -33.577 1.00 0.00 C ATOM 0 H ALA A 34 102.933 96.072 -32.061 1.00 0.00 H new ATOM 0 HA ALA A 34 103.610 97.609 -34.268 1.00 0.00 H new ATOM 0 HB1 ALA A 34 105.609 96.106 -34.386 1.00 0.00 H new ATOM 0 HB2 ALA A 34 105.230 96.566 -32.709 1.00 0.00 H new ATOM 0 HB3 ALA A 34 104.784 94.952 -33.312 1.00 0.00 H new ATOM 554 N ALA A 35 102.561 94.606 -35.123 1.00 0.00 N ATOM 555 CA ALA A 35 102.118 93.796 -36.248 1.00 0.00 C ATOM 556 C ALA A 35 101.089 94.542 -37.123 1.00 0.00 C ATOM 557 O ALA A 35 101.224 94.606 -38.339 1.00 0.00 O ATOM 558 CB ALA A 35 101.530 92.472 -35.735 1.00 0.00 C ATOM 0 H ALA A 35 102.442 94.172 -34.208 1.00 0.00 H new ATOM 0 HA ALA A 35 102.985 93.588 -36.876 1.00 0.00 H new ATOM 0 HB1 ALA A 35 101.200 91.869 -36.581 1.00 0.00 H new ATOM 0 HB2 ALA A 35 102.292 91.928 -35.177 1.00 0.00 H new ATOM 0 HB3 ALA A 35 100.681 92.679 -35.083 1.00 0.00 H new ATOM 564 N GLU A 36 100.060 95.093 -36.448 1.00 0.00 N ATOM 565 CA GLU A 36 99.082 95.863 -37.199 1.00 0.00 C ATOM 566 C GLU A 36 99.707 97.096 -37.883 1.00 0.00 C ATOM 567 O GLU A 36 99.382 97.408 -39.022 1.00 0.00 O ATOM 568 CB GLU A 36 97.910 96.279 -36.300 1.00 0.00 C ATOM 569 CG GLU A 36 96.574 95.922 -36.950 1.00 0.00 C ATOM 570 CD GLU A 36 95.475 95.794 -35.891 1.00 0.00 C ATOM 571 OE1 GLU A 36 95.555 96.478 -34.872 1.00 0.00 O ATOM 572 OE2 GLU A 36 94.552 95.008 -36.098 1.00 0.00 O ATOM 0 H GLU A 36 99.899 95.020 -35.443 1.00 0.00 H new ATOM 0 HA GLU A 36 98.705 95.214 -37.990 1.00 0.00 H new ATOM 0 HB2 GLU A 36 97.993 95.782 -35.333 1.00 0.00 H new ATOM 0 HB3 GLU A 36 97.953 97.352 -36.112 1.00 0.00 H new ATOM 0 HG2 GLU A 36 96.300 96.688 -37.675 1.00 0.00 H new ATOM 0 HG3 GLU A 36 96.669 94.985 -37.498 1.00 0.00 H new ATOM 579 N VAL A 37 100.605 97.782 -37.144 1.00 0.00 N ATOM 580 CA VAL A 37 101.226 98.953 -37.747 1.00 0.00 C ATOM 581 C VAL A 37 102.001 98.597 -39.038 1.00 0.00 C ATOM 582 O VAL A 37 101.946 99.327 -40.019 1.00 0.00 O ATOM 583 CB VAL A 37 102.159 99.619 -36.729 1.00 0.00 C ATOM 584 CG1 VAL A 37 102.942 100.769 -37.366 1.00 0.00 C ATOM 585 CG2 VAL A 37 101.387 100.111 -35.501 1.00 0.00 C ATOM 0 H VAL A 37 100.895 97.557 -36.192 1.00 0.00 H new ATOM 0 HA VAL A 37 100.435 99.648 -38.029 1.00 0.00 H new ATOM 0 HB VAL A 37 102.871 98.863 -36.399 1.00 0.00 H new ATOM 0 HG11 VAL A 37 103.595 101.222 -36.620 1.00 0.00 H new ATOM 0 HG12 VAL A 37 103.544 100.387 -38.191 1.00 0.00 H new ATOM 0 HG13 VAL A 37 102.246 101.519 -37.742 1.00 0.00 H new ATOM 0 HG21 VAL A 37 102.078 100.578 -34.800 1.00 0.00 H new ATOM 0 HG22 VAL A 37 100.637 100.839 -35.810 1.00 0.00 H new ATOM 0 HG23 VAL A 37 100.895 99.267 -35.018 1.00 0.00 H new ATOM 595 N ARG A 38 102.715 97.452 -38.989 1.00 0.00 N ATOM 596 CA ARG A 38 103.224 96.879 -40.226 1.00 0.00 C ATOM 597 C ARG A 38 102.115 96.673 -41.283 1.00 0.00 C ATOM 598 O ARG A 38 102.291 96.971 -42.458 1.00 0.00 O ATOM 599 CB ARG A 38 103.900 95.547 -39.921 1.00 0.00 C ATOM 600 CG ARG A 38 105.064 95.704 -38.943 1.00 0.00 C ATOM 601 CD ARG A 38 106.217 94.754 -39.274 1.00 0.00 C ATOM 602 NE ARG A 38 106.970 94.439 -38.075 1.00 0.00 N ATOM 603 CZ ARG A 38 108.172 93.850 -38.212 1.00 0.00 C ATOM 604 NH1 ARG A 38 108.294 92.749 -38.949 1.00 0.00 N ATOM 605 NH2 ARG A 38 109.238 94.370 -37.611 1.00 0.00 N ATOM 0 H ARG A 38 102.938 96.934 -38.139 1.00 0.00 H new ATOM 0 HA ARG A 38 103.941 97.584 -40.647 1.00 0.00 H new ATOM 0 HB2 ARG A 38 103.167 94.856 -39.504 1.00 0.00 H new ATOM 0 HB3 ARG A 38 104.263 95.105 -40.849 1.00 0.00 H new ATOM 0 HG2 ARG A 38 105.423 96.733 -38.967 1.00 0.00 H new ATOM 0 HG3 ARG A 38 104.715 95.512 -37.929 1.00 0.00 H new ATOM 0 HD2 ARG A 38 105.827 93.838 -39.717 1.00 0.00 H new ATOM 0 HD3 ARG A 38 106.873 95.212 -40.014 1.00 0.00 H new ATOM 0 HE ARG A 38 106.598 94.658 -37.151 1.00 0.00 H new ATOM 0 HH11 ARG A 38 107.476 92.351 -39.411 1.00 0.00 H new ATOM 0 HH12 ARG A 38 109.205 92.303 -39.052 1.00 0.00 H new ATOM 0 HH21 ARG A 38 109.144 95.215 -37.047 1.00 0.00 H new ATOM 0 HH22 ARG A 38 110.150 93.924 -37.714 1.00 0.00 H new ATOM 619 N GLU A 39 100.976 96.144 -40.796 1.00 0.00 N ATOM 620 CA GLU A 39 99.952 95.679 -41.718 1.00 0.00 C ATOM 621 C GLU A 39 99.242 96.844 -42.436 1.00 0.00 C ATOM 622 O GLU A 39 98.964 96.782 -43.628 1.00 0.00 O ATOM 623 CB GLU A 39 98.931 94.855 -40.940 1.00 0.00 C ATOM 624 CG GLU A 39 99.553 93.573 -40.395 1.00 0.00 C ATOM 625 CD GLU A 39 99.181 92.363 -41.258 1.00 0.00 C ATOM 626 OE1 GLU A 39 98.023 91.950 -41.221 1.00 0.00 O ATOM 627 OE2 GLU A 39 100.053 91.850 -41.957 1.00 0.00 O ATOM 0 H GLU A 39 100.757 96.035 -39.806 1.00 0.00 H new ATOM 0 HA GLU A 39 100.434 95.073 -42.486 1.00 0.00 H new ATOM 0 HB2 GLU A 39 98.534 95.448 -40.116 1.00 0.00 H new ATOM 0 HB3 GLU A 39 98.091 94.607 -41.588 1.00 0.00 H new ATOM 0 HG2 GLU A 39 100.637 93.678 -40.361 1.00 0.00 H new ATOM 0 HG3 GLU A 39 99.216 93.410 -39.371 1.00 0.00 H new ATOM 719 N ASN A 46 108.272 98.610 -44.377 1.00 0.00 N ATOM 720 CA ASN A 46 108.490 97.640 -43.307 1.00 0.00 C ATOM 721 C ASN A 46 109.720 97.974 -42.438 1.00 0.00 C ATOM 722 O ASN A 46 109.645 97.996 -41.216 1.00 0.00 O ATOM 723 CB ASN A 46 108.621 96.230 -43.882 1.00 0.00 C ATOM 724 CG ASN A 46 109.752 96.141 -44.918 1.00 0.00 C ATOM 725 OD1 ASN A 46 109.598 96.527 -46.070 1.00 0.00 O ATOM 726 ND2 ASN A 46 110.890 95.609 -44.433 1.00 0.00 N ATOM 0 HA ASN A 46 107.616 97.690 -42.657 1.00 0.00 H new ATOM 0 HB2 ASN A 46 108.812 95.524 -43.074 1.00 0.00 H new ATOM 0 HB3 ASN A 46 107.679 95.937 -44.346 1.00 0.00 H new ATOM 0 HD21 ASN A 46 111.703 95.504 -45.040 1.00 0.00 H new ATOM 0 HD22 ASN A 46 110.939 95.311 -43.459 1.00 0.00 H new ATOM 733 N ALA A 47 110.842 98.229 -43.136 1.00 0.00 N ATOM 734 CA ALA A 47 112.059 98.510 -42.392 1.00 0.00 C ATOM 735 C ALA A 47 111.924 99.782 -41.532 1.00 0.00 C ATOM 736 O ALA A 47 112.286 99.792 -40.361 1.00 0.00 O ATOM 737 CB ALA A 47 113.229 98.659 -43.364 1.00 0.00 C ATOM 0 H ALA A 47 110.923 98.244 -44.153 1.00 0.00 H new ATOM 0 HA ALA A 47 112.241 97.674 -41.716 1.00 0.00 H new ATOM 0 HB1 ALA A 47 114.141 98.870 -42.806 1.00 0.00 H new ATOM 0 HB2 ALA A 47 113.354 97.734 -43.928 1.00 0.00 H new ATOM 0 HB3 ALA A 47 113.028 99.479 -44.053 1.00 0.00 H new ATOM 743 N VAL A 48 111.380 100.843 -42.164 1.00 0.00 N ATOM 744 CA VAL A 48 111.234 102.064 -41.380 1.00 0.00 C ATOM 745 C VAL A 48 110.251 101.877 -40.208 1.00 0.00 C ATOM 746 O VAL A 48 110.470 102.397 -39.124 1.00 0.00 O ATOM 747 CB VAL A 48 110.829 103.257 -42.257 1.00 0.00 C ATOM 748 CG1 VAL A 48 111.753 103.394 -43.464 1.00 0.00 C ATOM 749 CG2 VAL A 48 109.372 103.203 -42.710 1.00 0.00 C ATOM 0 H VAL A 48 111.062 100.876 -43.132 1.00 0.00 H new ATOM 0 HA VAL A 48 112.213 102.286 -40.955 1.00 0.00 H new ATOM 0 HB VAL A 48 110.933 104.140 -41.626 1.00 0.00 H new ATOM 0 HG11 VAL A 48 111.441 104.247 -44.066 1.00 0.00 H new ATOM 0 HG12 VAL A 48 112.777 103.546 -43.123 1.00 0.00 H new ATOM 0 HG13 VAL A 48 111.702 102.487 -44.066 1.00 0.00 H new ATOM 0 HG21 VAL A 48 109.150 104.074 -43.326 1.00 0.00 H new ATOM 0 HG22 VAL A 48 109.205 102.296 -43.291 1.00 0.00 H new ATOM 0 HG23 VAL A 48 108.719 103.200 -41.837 1.00 0.00 H new ATOM 759 N VAL A 49 109.174 101.114 -40.483 1.00 0.00 N ATOM 760 CA VAL A 49 108.083 100.980 -39.529 1.00 0.00 C ATOM 761 C VAL A 49 108.543 100.336 -38.205 1.00 0.00 C ATOM 762 O VAL A 49 108.160 100.768 -37.125 1.00 0.00 O ATOM 763 CB VAL A 49 106.954 100.169 -40.175 1.00 0.00 C ATOM 764 CG1 VAL A 49 105.851 99.835 -39.173 1.00 0.00 C ATOM 765 CG2 VAL A 49 106.374 100.926 -41.364 1.00 0.00 C ATOM 0 H VAL A 49 109.048 100.592 -41.350 1.00 0.00 H new ATOM 0 HA VAL A 49 107.720 101.976 -39.274 1.00 0.00 H new ATOM 0 HB VAL A 49 107.381 99.228 -40.522 1.00 0.00 H new ATOM 0 HG11 VAL A 49 105.070 99.260 -39.670 1.00 0.00 H new ATOM 0 HG12 VAL A 49 106.268 99.248 -38.355 1.00 0.00 H new ATOM 0 HG13 VAL A 49 105.426 100.758 -38.778 1.00 0.00 H new ATOM 0 HG21 VAL A 49 105.573 100.339 -41.814 1.00 0.00 H new ATOM 0 HG22 VAL A 49 105.977 101.883 -41.027 1.00 0.00 H new ATOM 0 HG23 VAL A 49 107.157 101.098 -42.103 1.00 0.00 H new ATOM 775 N ASN A 50 109.380 99.289 -38.351 1.00 0.00 N ATOM 776 CA ASN A 50 110.070 98.754 -37.184 1.00 0.00 C ATOM 777 C ASN A 50 110.844 99.849 -36.420 1.00 0.00 C ATOM 778 O ASN A 50 110.759 99.953 -35.202 1.00 0.00 O ATOM 779 CB ASN A 50 111.049 97.662 -37.632 1.00 0.00 C ATOM 780 CG ASN A 50 111.129 96.564 -36.569 1.00 0.00 C ATOM 781 OD1 ASN A 50 110.573 96.672 -35.482 1.00 0.00 O ATOM 782 ND2 ASN A 50 111.860 95.505 -36.961 1.00 0.00 N ATOM 0 H ASN A 50 109.583 98.819 -39.233 1.00 0.00 H new ATOM 0 HA ASN A 50 109.318 98.343 -36.510 1.00 0.00 H new ATOM 0 HB2 ASN A 50 110.724 97.237 -38.582 1.00 0.00 H new ATOM 0 HB3 ASN A 50 112.037 98.093 -37.797 1.00 0.00 H new ATOM 0 HD21 ASN A 50 111.984 94.711 -36.333 1.00 0.00 H new ATOM 0 HD22 ASN A 50 112.290 95.496 -37.886 1.00 0.00 H new ATOM 789 N SER A 51 111.590 100.653 -37.204 1.00 0.00 N ATOM 790 CA SER A 51 112.345 101.717 -36.559 1.00 0.00 C ATOM 791 C SER A 51 111.429 102.744 -35.858 1.00 0.00 C ATOM 792 O SER A 51 111.710 103.179 -34.749 1.00 0.00 O ATOM 793 CB SER A 51 113.212 102.426 -37.600 1.00 0.00 C ATOM 794 OG SER A 51 114.125 103.282 -36.883 1.00 0.00 O ATOM 0 H SER A 51 111.678 100.587 -38.218 1.00 0.00 H new ATOM 0 HA SER A 51 112.970 101.261 -35.791 1.00 0.00 H new ATOM 0 HB2 SER A 51 113.758 101.701 -38.204 1.00 0.00 H new ATOM 0 HB3 SER A 51 112.594 103.009 -38.283 1.00 0.00 H new ATOM 0 HG SER A 51 114.700 103.754 -37.521 1.00 0.00 H new ATOM 800 N ASN A 52 110.340 103.113 -36.562 1.00 0.00 N ATOM 801 CA ASN A 52 109.521 104.250 -36.169 1.00 0.00 C ATOM 802 C ASN A 52 108.745 104.024 -34.852 1.00 0.00 C ATOM 803 O ASN A 52 108.568 104.928 -34.047 1.00 0.00 O ATOM 804 CB ASN A 52 108.514 104.504 -37.287 1.00 0.00 C ATOM 805 CG ASN A 52 109.223 104.874 -38.598 1.00 0.00 C ATOM 806 OD1 ASN A 52 110.210 105.599 -38.617 1.00 0.00 O ATOM 807 ND2 ASN A 52 108.657 104.315 -39.681 1.00 0.00 N ATOM 0 H ASN A 52 110.017 102.633 -37.402 1.00 0.00 H new ATOM 0 HA ASN A 52 110.187 105.096 -36.002 1.00 0.00 H new ATOM 0 HB2 ASN A 52 107.903 103.614 -37.439 1.00 0.00 H new ATOM 0 HB3 ASN A 52 107.838 105.308 -36.996 1.00 0.00 H new ATOM 0 HD21 ASN A 52 109.051 104.484 -40.607 1.00 0.00 H new ATOM 0 HD22 ASN A 52 107.834 103.722 -39.577 1.00 0.00 H new ATOM 814 N ILE A 53 108.251 102.786 -34.703 1.00 0.00 N ATOM 815 CA ILE A 53 107.617 102.420 -33.452 1.00 0.00 C ATOM 816 C ILE A 53 108.637 102.383 -32.298 1.00 0.00 C ATOM 817 O ILE A 53 108.415 102.941 -31.231 1.00 0.00 O ATOM 818 CB ILE A 53 106.975 101.043 -33.620 1.00 0.00 C ATOM 819 CG1 ILE A 53 105.977 101.005 -34.781 1.00 0.00 C ATOM 820 CG2 ILE A 53 106.277 100.587 -32.343 1.00 0.00 C ATOM 821 CD1 ILE A 53 105.683 99.569 -35.202 1.00 0.00 C ATOM 0 H ILE A 53 108.281 102.053 -35.412 1.00 0.00 H new ATOM 0 HA ILE A 53 106.863 103.166 -33.203 1.00 0.00 H new ATOM 0 HB ILE A 53 107.793 100.358 -33.844 1.00 0.00 H new ATOM 0 HG12 ILE A 53 105.051 101.498 -34.485 1.00 0.00 H new ATOM 0 HG13 ILE A 53 106.378 101.561 -35.628 1.00 0.00 H new ATOM 0 HG21 ILE A 53 105.833 99.604 -32.502 1.00 0.00 H new ATOM 0 HG22 ILE A 53 107.003 100.530 -31.532 1.00 0.00 H new ATOM 0 HG23 ILE A 53 105.495 101.300 -32.081 1.00 0.00 H new ATOM 0 HD11 ILE A 53 104.972 99.570 -36.028 1.00 0.00 H new ATOM 0 HD12 ILE A 53 106.607 99.087 -35.520 1.00 0.00 H new ATOM 0 HD13 ILE A 53 105.260 99.022 -34.359 1.00 0.00 H new ATOM 833 N GLY A 54 109.754 101.684 -32.571 1.00 0.00 N ATOM 834 CA GLY A 54 110.797 101.598 -31.565 1.00 0.00 C ATOM 835 C GLY A 54 111.351 102.968 -31.139 1.00 0.00 C ATOM 836 O GLY A 54 111.596 103.214 -29.967 1.00 0.00 O ATOM 0 H GLY A 54 109.943 101.194 -33.445 1.00 0.00 H new ATOM 0 HA2 GLY A 54 110.403 101.085 -30.687 1.00 0.00 H new ATOM 0 HA3 GLY A 54 111.614 100.988 -31.951 1.00 0.00 H new ATOM 840 N VAL A 55 111.553 103.826 -32.149 1.00 0.00 N ATOM 841 CA VAL A 55 112.153 105.119 -31.866 1.00 0.00 C ATOM 842 C VAL A 55 111.222 106.035 -31.034 1.00 0.00 C ATOM 843 O VAL A 55 111.679 106.794 -30.188 1.00 0.00 O ATOM 844 CB VAL A 55 112.578 105.775 -33.178 1.00 0.00 C ATOM 845 CG1 VAL A 55 111.370 106.303 -33.928 1.00 0.00 C ATOM 846 CG2 VAL A 55 113.611 106.875 -32.948 1.00 0.00 C ATOM 0 H VAL A 55 111.318 103.652 -33.126 1.00 0.00 H new ATOM 0 HA VAL A 55 113.036 104.961 -31.246 1.00 0.00 H new ATOM 0 HB VAL A 55 113.053 105.011 -33.794 1.00 0.00 H new ATOM 0 HG11 VAL A 55 111.694 106.767 -34.860 1.00 0.00 H new ATOM 0 HG12 VAL A 55 110.691 105.480 -34.149 1.00 0.00 H new ATOM 0 HG13 VAL A 55 110.856 107.043 -33.315 1.00 0.00 H new ATOM 0 HG21 VAL A 55 113.889 107.318 -33.904 1.00 0.00 H new ATOM 0 HG22 VAL A 55 113.187 107.643 -32.301 1.00 0.00 H new ATOM 0 HG23 VAL A 55 114.496 106.450 -32.474 1.00 0.00 H new ATOM 856 N LEU A 56 109.903 105.932 -31.315 1.00 0.00 N ATOM 857 CA LEU A 56 108.930 106.438 -30.354 1.00 0.00 C ATOM 858 C LEU A 56 109.144 105.810 -28.956 1.00 0.00 C ATOM 859 O LEU A 56 109.192 106.502 -27.949 1.00 0.00 O ATOM 860 CB LEU A 56 107.540 106.046 -30.866 1.00 0.00 C ATOM 861 CG LEU A 56 106.954 106.997 -31.915 1.00 0.00 C ATOM 862 CD1 LEU A 56 108.010 107.739 -32.732 1.00 0.00 C ATOM 863 CD2 LEU A 56 106.050 106.219 -32.863 1.00 0.00 C ATOM 0 H LEU A 56 109.512 105.521 -32.163 1.00 0.00 H new ATOM 0 HA LEU A 56 109.039 107.518 -30.258 1.00 0.00 H new ATOM 0 HB2 LEU A 56 107.594 105.044 -31.293 1.00 0.00 H new ATOM 0 HB3 LEU A 56 106.856 105.995 -30.019 1.00 0.00 H new ATOM 0 HG LEU A 56 106.393 107.751 -31.363 1.00 0.00 H new ATOM 0 HD11 LEU A 56 107.519 108.393 -33.453 1.00 0.00 H new ATOM 0 HD12 LEU A 56 108.632 108.336 -32.066 1.00 0.00 H new ATOM 0 HD13 LEU A 56 108.633 107.018 -33.261 1.00 0.00 H new ATOM 0 HD21 LEU A 56 105.634 106.897 -33.608 1.00 0.00 H new ATOM 0 HD22 LEU A 56 106.629 105.442 -33.362 1.00 0.00 H new ATOM 0 HD23 LEU A 56 105.239 105.760 -32.298 1.00 0.00 H new ATOM 875 N ILE A 57 109.296 104.473 -28.954 1.00 0.00 N ATOM 876 CA ILE A 57 109.388 103.798 -27.666 1.00 0.00 C ATOM 877 C ILE A 57 110.621 104.257 -26.855 1.00 0.00 C ATOM 878 O ILE A 57 110.544 104.475 -25.652 1.00 0.00 O ATOM 879 CB ILE A 57 109.434 102.284 -27.885 1.00 0.00 C ATOM 880 CG1 ILE A 57 108.206 101.802 -28.673 1.00 0.00 C ATOM 881 CG2 ILE A 57 109.633 101.542 -26.559 1.00 0.00 C ATOM 882 CD1 ILE A 57 107.219 100.950 -27.876 1.00 0.00 C ATOM 0 H ILE A 57 109.354 103.877 -29.780 1.00 0.00 H new ATOM 0 HA ILE A 57 108.504 104.063 -27.085 1.00 0.00 H new ATOM 0 HB ILE A 57 110.302 102.046 -28.500 1.00 0.00 H new ATOM 0 HG12 ILE A 57 107.679 102.673 -29.063 1.00 0.00 H new ATOM 0 HG13 ILE A 57 108.548 101.226 -29.533 1.00 0.00 H new ATOM 0 HG21 ILE A 57 109.662 100.468 -26.744 1.00 0.00 H new ATOM 0 HG22 ILE A 57 110.571 101.857 -26.103 1.00 0.00 H new ATOM 0 HG23 ILE A 57 108.807 101.772 -25.886 1.00 0.00 H new ATOM 0 HD11 ILE A 57 106.388 100.659 -28.518 1.00 0.00 H new ATOM 0 HD12 ILE A 57 107.724 100.056 -27.509 1.00 0.00 H new ATOM 0 HD13 ILE A 57 106.841 101.526 -27.031 1.00 0.00 H new ATOM 894 N LYS A 58 111.748 104.386 -27.582 1.00 0.00 N ATOM 895 CA LYS A 58 113.016 104.672 -26.926 1.00 0.00 C ATOM 896 C LYS A 58 113.087 106.119 -26.372 1.00 0.00 C ATOM 897 O LYS A 58 113.839 106.408 -25.450 1.00 0.00 O ATOM 898 CB LYS A 58 114.154 104.383 -27.910 1.00 0.00 C ATOM 899 CG LYS A 58 114.397 105.525 -28.893 1.00 0.00 C ATOM 900 CD LYS A 58 115.543 106.433 -28.445 1.00 0.00 C ATOM 901 CE LYS A 58 116.174 107.179 -29.621 1.00 0.00 C ATOM 902 NZ LYS A 58 117.339 106.487 -30.158 1.00 0.00 N ATOM 0 H LYS A 58 111.797 104.298 -28.597 1.00 0.00 H new ATOM 0 HA LYS A 58 113.113 104.024 -26.055 1.00 0.00 H new ATOM 0 HB2 LYS A 58 115.070 104.191 -27.351 1.00 0.00 H new ATOM 0 HB3 LYS A 58 113.924 103.475 -28.467 1.00 0.00 H new ATOM 0 HG2 LYS A 58 114.623 105.114 -29.877 1.00 0.00 H new ATOM 0 HG3 LYS A 58 113.486 106.115 -28.996 1.00 0.00 H new ATOM 0 HD2 LYS A 58 115.172 107.153 -27.716 1.00 0.00 H new ATOM 0 HD3 LYS A 58 116.304 105.836 -27.944 1.00 0.00 H new ATOM 0 HE2 LYS A 58 115.432 107.302 -30.410 1.00 0.00 H new ATOM 0 HE3 LYS A 58 116.465 108.179 -29.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 117.731 107.032 -30.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 118.060 106.392 -29.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 117.059 105.542 -30.491 1.00 0.00 H new ATOM 916 N LYS A 59 112.267 106.997 -26.987 1.00 0.00 N ATOM 917 CA LYS A 59 112.009 108.302 -26.408 1.00 0.00 C ATOM 918 C LYS A 59 111.076 108.188 -25.185 1.00 0.00 C ATOM 919 O LYS A 59 111.354 108.726 -24.120 1.00 0.00 O ATOM 920 CB LYS A 59 111.340 109.159 -27.482 1.00 0.00 C ATOM 921 CG LYS A 59 112.251 109.414 -28.683 1.00 0.00 C ATOM 922 CD LYS A 59 111.448 109.836 -29.914 1.00 0.00 C ATOM 923 CE LYS A 59 112.352 110.318 -31.049 1.00 0.00 C ATOM 924 NZ LYS A 59 111.623 110.504 -32.297 1.00 0.00 N ATOM 0 H LYS A 59 111.787 106.817 -27.869 1.00 0.00 H new ATOM 0 HA LYS A 59 112.945 108.749 -26.073 1.00 0.00 H new ATOM 0 HB2 LYS A 59 110.429 108.665 -27.820 1.00 0.00 H new ATOM 0 HB3 LYS A 59 111.043 110.113 -27.047 1.00 0.00 H new ATOM 0 HG2 LYS A 59 112.974 110.191 -28.435 1.00 0.00 H new ATOM 0 HG3 LYS A 59 112.819 108.511 -28.909 1.00 0.00 H new ATOM 0 HD2 LYS A 59 110.847 108.995 -30.261 1.00 0.00 H new ATOM 0 HD3 LYS A 59 110.755 110.631 -29.640 1.00 0.00 H new ATOM 0 HE2 LYS A 59 112.822 111.259 -30.762 1.00 0.00 H new ATOM 0 HE3 LYS A 59 113.154 109.596 -31.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 112.032 111.303 -32.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 111.692 109.640 -32.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 110.623 110.702 -32.089 1.00 0.00 H new ATOM 938 N GLY A 60 109.965 107.458 -25.407 1.00 0.00 N ATOM 939 CA GLY A 60 108.660 108.040 -25.216 1.00 0.00 C ATOM 940 C GLY A 60 108.404 109.047 -26.332 1.00 0.00 C ATOM 941 O GLY A 60 108.870 110.179 -26.298 1.00 0.00 O ATOM 0 H GLY A 60 109.963 106.485 -25.712 1.00 0.00 H new ATOM 0 HA2 GLY A 60 107.895 107.263 -25.225 1.00 0.00 H new ATOM 0 HA3 GLY A 60 108.604 108.531 -24.244 1.00 0.00 H new ATOM 945 N LEU A 61 107.639 108.547 -27.317 1.00 0.00 N ATOM 946 CA LEU A 61 106.246 108.261 -27.085 1.00 0.00 C ATOM 947 C LEU A 61 105.808 107.267 -28.153 1.00 0.00 C ATOM 948 O LEU A 61 105.467 107.620 -29.275 1.00 0.00 O ATOM 949 CB LEU A 61 105.467 109.559 -27.303 1.00 0.00 C ATOM 950 CG LEU A 61 105.904 110.391 -28.526 1.00 0.00 C ATOM 951 CD1 LEU A 61 104.785 111.328 -28.942 1.00 0.00 C ATOM 952 CD2 LEU A 61 107.175 111.199 -28.275 1.00 0.00 C ATOM 0 H LEU A 61 107.970 108.341 -28.260 1.00 0.00 H new ATOM 0 HA LEU A 61 106.076 107.867 -26.083 1.00 0.00 H new ATOM 0 HB2 LEU A 61 104.410 109.316 -27.408 1.00 0.00 H new ATOM 0 HB3 LEU A 61 105.565 110.177 -26.410 1.00 0.00 H new ATOM 0 HG LEU A 61 106.124 109.682 -29.324 1.00 0.00 H new ATOM 0 HD11 LEU A 61 105.102 111.912 -29.806 1.00 0.00 H new ATOM 0 HD12 LEU A 61 103.901 110.746 -29.202 1.00 0.00 H new ATOM 0 HD13 LEU A 61 104.548 112.000 -28.117 1.00 0.00 H new ATOM 0 HD21 LEU A 61 107.431 111.763 -29.172 1.00 0.00 H new ATOM 0 HD22 LEU A 61 107.010 111.889 -27.448 1.00 0.00 H new ATOM 0 HD23 LEU A 61 107.993 110.523 -28.026 1.00 0.00 H new ATOM 964 N VAL A 62 105.812 105.998 -27.731 1.00 0.00 N ATOM 965 CA VAL A 62 104.655 105.192 -27.436 1.00 0.00 C ATOM 966 C VAL A 62 105.033 104.226 -26.302 1.00 0.00 C ATOM 967 O VAL A 62 106.186 103.834 -26.166 1.00 0.00 O ATOM 968 CB VAL A 62 104.247 104.454 -28.705 1.00 0.00 C ATOM 969 CG1 VAL A 62 105.324 103.475 -29.162 1.00 0.00 C ATOM 970 CG2 VAL A 62 102.912 103.748 -28.525 1.00 0.00 C ATOM 0 H VAL A 62 106.683 105.489 -27.582 1.00 0.00 H new ATOM 0 HA VAL A 62 103.806 105.793 -27.110 1.00 0.00 H new ATOM 0 HB VAL A 62 104.131 105.202 -29.489 1.00 0.00 H new ATOM 0 HG11 VAL A 62 104.994 102.969 -30.070 1.00 0.00 H new ATOM 0 HG12 VAL A 62 106.247 104.018 -29.364 1.00 0.00 H new ATOM 0 HG13 VAL A 62 105.501 102.737 -28.379 1.00 0.00 H new ATOM 0 HG21 VAL A 62 102.647 103.230 -29.447 1.00 0.00 H new ATOM 0 HG22 VAL A 62 102.989 103.026 -27.712 1.00 0.00 H new ATOM 0 HG23 VAL A 62 102.142 104.481 -28.287 1.00 0.00 H new ATOM 980 N GLU A 63 104.015 103.864 -25.500 1.00 0.00 N ATOM 981 CA GLU A 63 104.240 102.844 -24.481 1.00 0.00 C ATOM 982 C GLU A 63 103.602 101.514 -24.915 1.00 0.00 C ATOM 983 O GLU A 63 102.405 101.414 -25.151 1.00 0.00 O ATOM 984 CB GLU A 63 103.622 103.286 -23.157 1.00 0.00 C ATOM 985 CG GLU A 63 104.501 104.302 -22.426 1.00 0.00 C ATOM 986 CD GLU A 63 103.645 105.156 -21.489 1.00 0.00 C ATOM 987 OE1 GLU A 63 102.591 105.623 -21.917 1.00 0.00 O ATOM 988 OE2 GLU A 63 104.043 105.344 -20.340 1.00 0.00 O ATOM 0 H GLU A 63 103.071 104.248 -25.538 1.00 0.00 H new ATOM 0 HA GLU A 63 105.314 102.708 -24.356 1.00 0.00 H new ATOM 0 HB2 GLU A 63 102.641 103.723 -23.343 1.00 0.00 H new ATOM 0 HB3 GLU A 63 103.468 102.415 -22.520 1.00 0.00 H new ATOM 0 HG2 GLU A 63 105.273 103.784 -21.856 1.00 0.00 H new ATOM 0 HG3 GLU A 63 105.011 104.940 -23.148 1.00 0.00 H new ATOM 995 N LYS A 64 104.476 100.496 -24.988 1.00 0.00 N ATOM 996 CA LYS A 64 104.005 99.189 -25.388 1.00 0.00 C ATOM 997 C LYS A 64 103.366 98.482 -24.187 1.00 0.00 C ATOM 998 O LYS A 64 104.011 98.176 -23.191 1.00 0.00 O ATOM 999 CB LYS A 64 105.174 98.386 -25.948 1.00 0.00 C ATOM 1000 CG LYS A 64 104.799 96.926 -26.196 1.00 0.00 C ATOM 1001 CD LYS A 64 105.712 96.264 -27.227 1.00 0.00 C ATOM 1002 CE LYS A 64 106.798 95.414 -26.566 1.00 0.00 C ATOM 1003 NZ LYS A 64 107.898 95.115 -27.475 1.00 0.00 N ATOM 0 H LYS A 64 105.473 100.561 -24.781 1.00 0.00 H new ATOM 0 HA LYS A 64 103.247 99.283 -26.165 1.00 0.00 H new ATOM 0 HB2 LYS A 64 105.510 98.838 -26.881 1.00 0.00 H new ATOM 0 HB3 LYS A 64 106.012 98.432 -25.252 1.00 0.00 H new ATOM 0 HG2 LYS A 64 104.853 96.374 -25.258 1.00 0.00 H new ATOM 0 HG3 LYS A 64 103.766 96.871 -26.539 1.00 0.00 H new ATOM 0 HD2 LYS A 64 105.116 95.638 -27.891 1.00 0.00 H new ATOM 0 HD3 LYS A 64 106.178 97.032 -27.845 1.00 0.00 H new ATOM 0 HE2 LYS A 64 107.184 95.938 -25.692 1.00 0.00 H new ATOM 0 HE3 LYS A 64 106.360 94.481 -26.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 108.609 94.537 -26.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 107.536 94.591 -28.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 108.335 96.003 -27.795 1.00 0.00 H new ATOM 1017 N SER A 65 102.051 98.252 -24.362 1.00 0.00 N ATOM 1018 CA SER A 65 101.263 97.605 -23.323 1.00 0.00 C ATOM 1019 C SER A 65 100.794 96.240 -23.829 1.00 0.00 C ATOM 1020 O SER A 65 99.894 96.148 -24.655 1.00 0.00 O ATOM 1021 CB SER A 65 100.006 98.453 -23.068 1.00 0.00 C ATOM 1022 OG SER A 65 99.059 97.907 -22.157 1.00 0.00 O ATOM 0 H SER A 65 101.529 98.503 -25.201 1.00 0.00 H new ATOM 0 HA SER A 65 101.863 97.499 -22.419 1.00 0.00 H new ATOM 0 HB2 SER A 65 100.319 99.428 -22.695 1.00 0.00 H new ATOM 0 HB3 SER A 65 99.507 98.623 -24.022 1.00 0.00 H new ATOM 0 HG SER A 65 98.242 97.666 -22.641 1.00 0.00 H new ATOM 1028 N GLY A 66 101.435 95.191 -23.279 1.00 0.00 N ATOM 1029 CA GLY A 66 102.023 94.196 -24.161 1.00 0.00 C ATOM 1030 C GLY A 66 101.133 92.956 -24.250 1.00 0.00 C ATOM 1031 O GLY A 66 101.285 91.996 -23.503 1.00 0.00 O ATOM 0 H GLY A 66 101.550 95.024 -22.279 1.00 0.00 H new ATOM 0 HA2 GLY A 66 102.162 94.621 -25.155 1.00 0.00 H new ATOM 0 HA3 GLY A 66 103.010 93.915 -23.793 1.00 0.00 H new ATOM 1035 N ASP A 67 100.197 93.045 -25.213 1.00 0.00 N ATOM 1036 CA ASP A 67 100.584 92.940 -26.610 1.00 0.00 C ATOM 1037 C ASP A 67 99.626 93.761 -27.484 1.00 0.00 C ATOM 1038 O ASP A 67 98.932 93.232 -28.343 1.00 0.00 O ATOM 1039 CB ASP A 67 100.563 91.473 -27.041 1.00 0.00 C ATOM 1040 CG ASP A 67 101.827 90.768 -26.546 1.00 0.00 C ATOM 1041 OD1 ASP A 67 102.920 91.257 -26.831 1.00 0.00 O ATOM 1042 OD2 ASP A 67 101.706 89.740 -25.883 1.00 0.00 O ATOM 0 H ASP A 67 99.200 93.185 -25.047 1.00 0.00 H new ATOM 0 HA ASP A 67 101.593 93.333 -26.733 1.00 0.00 H new ATOM 0 HB2 ASP A 67 99.679 90.979 -26.638 1.00 0.00 H new ATOM 0 HB3 ASP A 67 100.499 91.405 -28.127 1.00 0.00 H new ATOM 1047 N GLY A 68 99.630 95.077 -27.196 1.00 0.00 N ATOM 1048 CA GLY A 68 99.676 96.071 -28.247 1.00 0.00 C ATOM 1049 C GLY A 68 100.388 97.330 -27.752 1.00 0.00 C ATOM 1050 O GLY A 68 100.768 97.448 -26.594 1.00 0.00 O ATOM 0 H GLY A 68 99.602 95.458 -26.250 1.00 0.00 H new ATOM 0 HA2 GLY A 68 100.196 95.668 -29.116 1.00 0.00 H new ATOM 0 HA3 GLY A 68 98.664 96.319 -28.568 1.00 0.00 H new ATOM 1054 N LEU A 69 100.536 98.262 -28.714 1.00 0.00 N ATOM 1055 CA LEU A 69 101.240 99.500 -28.437 1.00 0.00 C ATOM 1056 C LEU A 69 100.198 100.585 -28.170 1.00 0.00 C ATOM 1057 O LEU A 69 99.153 100.627 -28.808 1.00 0.00 O ATOM 1058 CB LEU A 69 102.130 99.852 -29.637 1.00 0.00 C ATOM 1059 CG LEU A 69 103.070 98.707 -30.043 1.00 0.00 C ATOM 1060 CD1 LEU A 69 104.299 99.259 -30.755 1.00 0.00 C ATOM 1061 CD2 LEU A 69 103.507 97.826 -28.871 1.00 0.00 C ATOM 0 H LEU A 69 100.181 98.172 -29.666 1.00 0.00 H new ATOM 0 HA LEU A 69 101.884 99.406 -27.562 1.00 0.00 H new ATOM 0 HB2 LEU A 69 101.499 100.115 -30.486 1.00 0.00 H new ATOM 0 HB3 LEU A 69 102.723 100.734 -29.396 1.00 0.00 H new ATOM 0 HG LEU A 69 102.496 98.071 -30.717 1.00 0.00 H new ATOM 0 HD11 LEU A 69 104.956 98.436 -31.037 1.00 0.00 H new ATOM 0 HD12 LEU A 69 103.989 99.799 -31.650 1.00 0.00 H new ATOM 0 HD13 LEU A 69 104.832 99.937 -30.088 1.00 0.00 H new ATOM 0 HD21 LEU A 69 104.169 97.040 -29.234 1.00 0.00 H new ATOM 0 HD22 LEU A 69 104.035 98.434 -28.136 1.00 0.00 H new ATOM 0 HD23 LEU A 69 102.629 97.376 -28.407 1.00 0.00 H new ATOM 1073 N ILE A 70 100.527 101.446 -27.184 1.00 0.00 N ATOM 1074 CA ILE A 70 99.625 102.559 -26.944 1.00 0.00 C ATOM 1075 C ILE A 70 100.387 103.716 -26.318 1.00 0.00 C ATOM 1076 O ILE A 70 101.348 103.537 -25.584 1.00 0.00 O ATOM 1077 CB ILE A 70 98.518 102.146 -25.984 1.00 0.00 C ATOM 1078 CG1 ILE A 70 99.074 101.594 -24.679 1.00 0.00 C ATOM 1079 CG2 ILE A 70 97.601 101.118 -26.623 1.00 0.00 C ATOM 1080 CD1 ILE A 70 98.023 101.666 -23.573 1.00 0.00 C ATOM 0 H ILE A 70 101.352 101.392 -26.587 1.00 0.00 H new ATOM 0 HA ILE A 70 99.195 102.860 -27.899 1.00 0.00 H new ATOM 0 HB ILE A 70 97.946 103.046 -25.757 1.00 0.00 H new ATOM 0 HG12 ILE A 70 99.390 100.561 -24.821 1.00 0.00 H new ATOM 0 HG13 ILE A 70 99.958 102.161 -24.386 1.00 0.00 H new ATOM 0 HG21 ILE A 70 96.819 100.839 -25.917 1.00 0.00 H new ATOM 0 HG22 ILE A 70 97.147 101.542 -27.519 1.00 0.00 H new ATOM 0 HG23 ILE A 70 98.178 100.233 -26.893 1.00 0.00 H new ATOM 0 HD11 ILE A 70 98.440 101.267 -22.648 1.00 0.00 H new ATOM 0 HD12 ILE A 70 97.727 102.704 -23.419 1.00 0.00 H new ATOM 0 HD13 ILE A 70 97.151 101.079 -23.861 1.00 0.00 H new ATOM 1092 N ILE A 71 99.892 104.918 -26.635 1.00 0.00 N ATOM 1093 CA ILE A 71 100.786 106.052 -26.540 1.00 0.00 C ATOM 1094 C ILE A 71 100.680 106.687 -25.158 1.00 0.00 C ATOM 1095 O ILE A 71 99.720 106.503 -24.419 1.00 0.00 O ATOM 1096 CB ILE A 71 100.445 107.049 -27.637 1.00 0.00 C ATOM 1097 CG1 ILE A 71 99.004 107.547 -27.469 1.00 0.00 C ATOM 1098 CG2 ILE A 71 100.716 106.408 -29.001 1.00 0.00 C ATOM 1099 CD1 ILE A 71 98.585 108.604 -28.492 1.00 0.00 C ATOM 0 H ILE A 71 98.939 105.115 -26.940 1.00 0.00 H new ATOM 0 HA ILE A 71 101.817 105.726 -26.675 1.00 0.00 H new ATOM 0 HB ILE A 71 101.080 107.932 -27.566 1.00 0.00 H new ATOM 0 HG12 ILE A 71 98.326 106.697 -27.543 1.00 0.00 H new ATOM 0 HG13 ILE A 71 98.888 107.961 -26.467 1.00 0.00 H new ATOM 0 HG21 ILE A 71 100.473 107.118 -29.791 1.00 0.00 H new ATOM 0 HG22 ILE A 71 101.768 106.133 -29.071 1.00 0.00 H new ATOM 0 HG23 ILE A 71 100.099 105.516 -29.113 1.00 0.00 H new ATOM 0 HD11 ILE A 71 97.554 108.903 -28.305 1.00 0.00 H new ATOM 0 HD12 ILE A 71 99.237 109.473 -28.405 1.00 0.00 H new ATOM 0 HD13 ILE A 71 98.666 108.190 -29.497 1.00 0.00 H new ATOM 1111 N THR A 72 101.748 107.448 -24.878 1.00 0.00 N ATOM 1112 CA THR A 72 101.807 108.170 -23.626 1.00 0.00 C ATOM 1113 C THR A 72 100.922 109.418 -23.728 1.00 0.00 C ATOM 1114 O THR A 72 100.347 109.725 -24.765 1.00 0.00 O ATOM 1115 CB THR A 72 103.252 108.619 -23.376 1.00 0.00 C ATOM 1116 OG1 THR A 72 103.591 109.709 -24.208 1.00 0.00 O ATOM 1117 CG2 THR A 72 104.294 107.503 -23.531 1.00 0.00 C ATOM 0 H THR A 72 102.555 107.570 -25.490 1.00 0.00 H new ATOM 0 HA THR A 72 101.465 107.529 -22.814 1.00 0.00 H new ATOM 0 HB THR A 72 103.280 108.924 -22.330 1.00 0.00 H new ATOM 0 HG1 THR A 72 104.108 109.386 -24.975 1.00 0.00 H new ATOM 0 HG21 THR A 72 105.289 107.905 -23.337 1.00 0.00 H new ATOM 0 HG22 THR A 72 104.080 106.705 -22.820 1.00 0.00 H new ATOM 0 HG23 THR A 72 104.254 107.106 -24.545 1.00 0.00 H new ATOM 1125 N GLY A 73 100.855 110.112 -22.579 1.00 0.00 N ATOM 1126 CA GLY A 73 100.372 111.486 -22.631 1.00 0.00 C ATOM 1127 C GLY A 73 101.126 112.366 -23.652 1.00 0.00 C ATOM 1128 O GLY A 73 100.525 113.200 -24.317 1.00 0.00 O ATOM 0 H GLY A 73 101.115 109.763 -21.656 1.00 0.00 H new ATOM 0 HA2 GLY A 73 99.311 111.481 -22.881 1.00 0.00 H new ATOM 0 HA3 GLY A 73 100.463 111.933 -21.641 1.00 0.00 H new ATOM 1132 N GLU A 74 102.459 112.147 -23.749 1.00 0.00 N ATOM 1133 CA GLU A 74 103.238 113.024 -24.612 1.00 0.00 C ATOM 1134 C GLU A 74 102.707 113.021 -26.057 1.00 0.00 C ATOM 1135 O GLU A 74 102.463 114.071 -26.638 1.00 0.00 O ATOM 1136 CB GLU A 74 104.719 112.639 -24.592 1.00 0.00 C ATOM 1137 CG GLU A 74 105.280 112.592 -23.171 1.00 0.00 C ATOM 1138 CD GLU A 74 105.313 111.154 -22.647 1.00 0.00 C ATOM 1139 OE1 GLU A 74 105.919 110.305 -23.300 1.00 0.00 O ATOM 1140 OE2 GLU A 74 104.735 110.900 -21.592 1.00 0.00 O ATOM 0 H GLU A 74 102.979 111.414 -23.267 1.00 0.00 H new ATOM 0 HA GLU A 74 103.134 114.035 -24.219 1.00 0.00 H new ATOM 0 HB2 GLU A 74 104.847 111.665 -25.064 1.00 0.00 H new ATOM 0 HB3 GLU A 74 105.288 113.357 -25.183 1.00 0.00 H new ATOM 0 HG2 GLU A 74 106.286 113.012 -23.158 1.00 0.00 H new ATOM 0 HG3 GLU A 74 104.669 113.210 -22.513 1.00 0.00 H new ATOM 1147 N ALA A 75 102.514 111.794 -26.585 1.00 0.00 N ATOM 1148 CA ALA A 75 101.855 111.681 -27.881 1.00 0.00 C ATOM 1149 C ALA A 75 100.466 112.336 -27.858 1.00 0.00 C ATOM 1150 O ALA A 75 100.129 113.121 -28.732 1.00 0.00 O ATOM 1151 CB ALA A 75 101.704 110.204 -28.269 1.00 0.00 C ATOM 0 H ALA A 75 102.793 110.914 -26.152 1.00 0.00 H new ATOM 0 HA ALA A 75 102.475 112.197 -28.614 1.00 0.00 H new ATOM 0 HB1 ALA A 75 101.211 110.131 -29.238 1.00 0.00 H new ATOM 0 HB2 ALA A 75 102.689 109.741 -28.327 1.00 0.00 H new ATOM 0 HB3 ALA A 75 101.105 109.690 -27.517 1.00 0.00 H new ATOM 1157 N GLN A 76 99.697 112.001 -26.806 1.00 0.00 N ATOM 1158 CA GLN A 76 98.311 112.442 -26.778 1.00 0.00 C ATOM 1159 C GLN A 76 98.162 113.973 -26.960 1.00 0.00 C ATOM 1160 O GLN A 76 97.218 114.441 -27.584 1.00 0.00 O ATOM 1161 CB GLN A 76 97.720 112.024 -25.434 1.00 0.00 C ATOM 1162 CG GLN A 76 97.333 110.545 -25.412 1.00 0.00 C ATOM 1163 CD GLN A 76 96.900 110.142 -24.001 1.00 0.00 C ATOM 1164 OE1 GLN A 76 96.527 110.969 -23.177 1.00 0.00 O ATOM 1165 NE2 GLN A 76 96.976 108.817 -23.785 1.00 0.00 N ATOM 0 H GLN A 76 100.003 111.451 -26.003 1.00 0.00 H new ATOM 0 HA GLN A 76 97.784 111.980 -27.613 1.00 0.00 H new ATOM 0 HB2 GLN A 76 98.444 112.221 -24.643 1.00 0.00 H new ATOM 0 HB3 GLN A 76 96.841 112.632 -25.220 1.00 0.00 H new ATOM 0 HG2 GLN A 76 96.522 110.362 -26.117 1.00 0.00 H new ATOM 0 HG3 GLN A 76 98.177 109.934 -25.731 1.00 0.00 H new ATOM 0 HE21 GLN A 76 97.298 108.197 -24.528 1.00 0.00 H new ATOM 0 HE22 GLN A 76 96.711 108.432 -22.878 1.00 0.00 H new ATOM 1174 N ASP A 77 99.130 114.720 -26.391 1.00 0.00 N ATOM 1175 CA ASP A 77 99.150 116.154 -26.622 1.00 0.00 C ATOM 1176 C ASP A 77 99.467 116.482 -28.094 1.00 0.00 C ATOM 1177 O ASP A 77 98.824 117.324 -28.709 1.00 0.00 O ATOM 1178 CB ASP A 77 100.200 116.795 -25.715 1.00 0.00 C ATOM 1179 CG ASP A 77 99.862 118.268 -25.485 1.00 0.00 C ATOM 1180 OD1 ASP A 77 100.171 119.085 -26.352 1.00 0.00 O ATOM 1181 OD2 ASP A 77 99.294 118.584 -24.441 1.00 0.00 O ATOM 0 H ASP A 77 99.874 114.361 -25.794 1.00 0.00 H new ATOM 0 HA ASP A 77 98.162 116.553 -26.394 1.00 0.00 H new ATOM 0 HB2 ASP A 77 100.239 116.269 -24.761 1.00 0.00 H new ATOM 0 HB3 ASP A 77 101.187 116.706 -26.168 1.00 0.00 H new ATOM 1186 N ILE A 78 100.489 115.770 -28.614 1.00 0.00 N ATOM 1187 CA ILE A 78 100.935 116.054 -29.964 1.00 0.00 C ATOM 1188 C ILE A 78 99.823 115.775 -30.994 1.00 0.00 C ATOM 1189 O ILE A 78 99.564 116.582 -31.878 1.00 0.00 O ATOM 1190 CB ILE A 78 102.161 115.177 -30.248 1.00 0.00 C ATOM 1191 CG1 ILE A 78 103.362 115.515 -29.350 1.00 0.00 C ATOM 1192 CG2 ILE A 78 102.568 115.213 -31.724 1.00 0.00 C ATOM 1193 CD1 ILE A 78 103.357 116.940 -28.786 1.00 0.00 C ATOM 0 H ILE A 78 100.994 115.027 -28.131 1.00 0.00 H new ATOM 0 HA ILE A 78 101.191 117.110 -30.050 1.00 0.00 H new ATOM 0 HB ILE A 78 101.852 114.160 -30.005 1.00 0.00 H new ATOM 0 HG12 ILE A 78 103.387 114.810 -28.519 1.00 0.00 H new ATOM 0 HG13 ILE A 78 104.279 115.368 -29.921 1.00 0.00 H new ATOM 0 HG21 ILE A 78 103.440 114.577 -31.877 1.00 0.00 H new ATOM 0 HG22 ILE A 78 101.743 114.851 -32.338 1.00 0.00 H new ATOM 0 HG23 ILE A 78 102.811 116.237 -32.010 1.00 0.00 H new ATOM 0 HD11 ILE A 78 104.240 117.089 -28.165 1.00 0.00 H new ATOM 0 HD12 ILE A 78 103.366 117.656 -29.607 1.00 0.00 H new ATOM 0 HD13 ILE A 78 102.461 117.090 -28.184 1.00 0.00 H new ATOM 1205 N ILE A 79 99.197 114.593 -30.836 1.00 0.00 N ATOM 1206 CA ILE A 79 98.188 114.171 -31.791 1.00 0.00 C ATOM 1207 C ILE A 79 96.966 115.101 -31.787 1.00 0.00 C ATOM 1208 O ILE A 79 96.472 115.502 -32.834 1.00 0.00 O ATOM 1209 CB ILE A 79 97.698 112.774 -31.408 1.00 0.00 C ATOM 1210 CG1 ILE A 79 98.824 111.762 -31.169 1.00 0.00 C ATOM 1211 CG2 ILE A 79 96.694 112.254 -32.435 1.00 0.00 C ATOM 1212 CD1 ILE A 79 100.089 112.040 -31.981 1.00 0.00 C ATOM 0 H ILE A 79 99.374 113.938 -30.074 1.00 0.00 H new ATOM 0 HA ILE A 79 98.646 114.190 -32.780 1.00 0.00 H new ATOM 0 HB ILE A 79 97.199 112.883 -30.445 1.00 0.00 H new ATOM 0 HG12 ILE A 79 99.078 111.759 -30.109 1.00 0.00 H new ATOM 0 HG13 ILE A 79 98.460 110.764 -31.412 1.00 0.00 H new ATOM 0 HG21 ILE A 79 96.358 111.259 -32.144 1.00 0.00 H new ATOM 0 HG22 ILE A 79 95.838 112.927 -32.480 1.00 0.00 H new ATOM 0 HG23 ILE A 79 97.169 112.204 -33.415 1.00 0.00 H new ATOM 0 HD11 ILE A 79 100.839 111.281 -31.757 1.00 0.00 H new ATOM 0 HD12 ILE A 79 99.852 112.013 -33.045 1.00 0.00 H new ATOM 0 HD13 ILE A 79 100.479 113.024 -31.721 1.00 0.00 H new ATOM 1224 N SER A 80 96.504 115.414 -30.561 1.00 0.00 N ATOM 1225 CA SER A 80 95.347 116.292 -30.464 1.00 0.00 C ATOM 1226 C SER A 80 95.607 117.655 -31.130 1.00 0.00 C ATOM 1227 O SER A 80 94.791 118.150 -31.898 1.00 0.00 O ATOM 1228 CB SER A 80 95.000 116.487 -28.982 1.00 0.00 C ATOM 1229 OG SER A 80 94.983 115.303 -28.193 1.00 0.00 O ATOM 0 H SER A 80 96.894 115.089 -29.677 1.00 0.00 H new ATOM 0 HA SER A 80 94.513 115.829 -30.991 1.00 0.00 H new ATOM 0 HB2 SER A 80 95.719 117.181 -28.547 1.00 0.00 H new ATOM 0 HB3 SER A 80 94.020 116.960 -28.916 1.00 0.00 H new ATOM 0 HG SER A 80 95.832 115.219 -27.710 1.00 0.00 H new ATOM 1235 N ASN A 81 96.781 118.226 -30.801 1.00 0.00 N ATOM 1236 CA ASN A 81 97.084 119.520 -31.391 1.00 0.00 C ATOM 1237 C ASN A 81 97.328 119.408 -32.909 1.00 0.00 C ATOM 1238 O ASN A 81 96.820 120.203 -33.691 1.00 0.00 O ATOM 1239 CB ASN A 81 98.318 120.124 -30.716 1.00 0.00 C ATOM 1240 CG ASN A 81 98.210 121.649 -30.710 1.00 0.00 C ATOM 1241 OD1 ASN A 81 97.896 122.272 -29.704 1.00 0.00 O ATOM 1242 ND2 ASN A 81 98.493 122.200 -31.904 1.00 0.00 N ATOM 0 H ASN A 81 97.485 117.837 -30.173 1.00 0.00 H new ATOM 0 HA ASN A 81 96.222 120.168 -31.234 1.00 0.00 H new ATOM 0 HB2 ASN A 81 98.404 119.752 -29.695 1.00 0.00 H new ATOM 0 HB3 ASN A 81 99.220 119.816 -31.244 1.00 0.00 H new ATOM 0 HD21 ASN A 81 98.454 123.213 -32.021 1.00 0.00 H new ATOM 0 HD22 ASN A 81 98.747 121.605 -32.693 1.00 0.00 H new ATOM 1249 N ALA A 82 98.125 118.387 -33.280 1.00 0.00 N ATOM 1250 CA ALA A 82 98.529 118.302 -34.674 1.00 0.00 C ATOM 1251 C ALA A 82 97.337 118.019 -35.600 1.00 0.00 C ATOM 1252 O ALA A 82 97.171 118.661 -36.626 1.00 0.00 O ATOM 1253 CB ALA A 82 99.584 117.221 -34.862 1.00 0.00 C ATOM 0 H ALA A 82 98.479 117.654 -32.665 1.00 0.00 H new ATOM 0 HA ALA A 82 98.948 119.272 -34.943 1.00 0.00 H new ATOM 0 HB1 ALA A 82 99.873 117.173 -35.912 1.00 0.00 H new ATOM 0 HB2 ALA A 82 100.458 117.457 -34.255 1.00 0.00 H new ATOM 0 HB3 ALA A 82 99.177 116.258 -34.554 1.00 0.00 H new