USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=19 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= 0.00063 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= -0.635 USER MOD Single : A 12 ASN : amide:sc= -0.313 X(o=-0.31,f=-0.04) USER MOD Single : A 16 ASN : amide:sc= -0.215 X(o=-0.22,f=-0.0063) USER MOD Single : A 18 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.321) USER MOD Single : A 19 THR OG1 : rot -147:sc= -0.439 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 56:sc= -0.143! USER MOD Single : A 28 LYS NZ :NH3+ -125:sc= -0.114 (180deg=-0.735) USER MOD Single : A 29 LYS NZ :NH3+ 158:sc= 0.0204 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -79:sc= -2.16! USER MOD Single : A 46 ASN :FLIP amide:sc= -0.214 F(o=-1.8!,f=-0.21) USER MOD Single : A 50 ASN : amide:sc= -0.0821 K(o=-0.082,f=-1.5) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN :FLIP amide:sc= -2.44 F(o=-4.8,f=-2.4) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -160:sc= -2.23! (180deg=-2.99!) USER MOD Single : A 64 LYS NZ :NH3+ 155:sc= -0.14 (180deg=-0.754) USER MOD Single : A 65 SER OG : rot -106:sc= 1.44 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.321 USER MOD Single : A 76 GLN :FLIP amide:sc=-0.00234 F(o=-0.73,f=-0.0023) USER MOD Single : A 80 SER OG : rot 92:sc= 0.0114 USER MOD Single : A 81 ASN : amide:sc= -0.344 K(o=-0.34,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 53 N VAL A 4 100.848 114.287 -40.988 1.00 0.00 N ATOM 54 CA VAL A 4 102.123 113.941 -40.375 1.00 0.00 C ATOM 55 C VAL A 4 103.067 115.157 -40.252 1.00 0.00 C ATOM 56 O VAL A 4 103.772 115.310 -39.267 1.00 0.00 O ATOM 57 CB VAL A 4 102.812 112.843 -41.189 1.00 0.00 C ATOM 58 CG1 VAL A 4 101.907 111.630 -41.418 1.00 0.00 C ATOM 59 CG2 VAL A 4 103.358 113.376 -42.510 1.00 0.00 C ATOM 0 HA VAL A 4 101.908 113.586 -39.367 1.00 0.00 H new ATOM 0 HB VAL A 4 103.658 112.504 -40.591 1.00 0.00 H new ATOM 0 HG11 VAL A 4 102.443 110.881 -42.000 1.00 0.00 H new ATOM 0 HG12 VAL A 4 101.619 111.205 -40.457 1.00 0.00 H new ATOM 0 HG13 VAL A 4 101.014 111.940 -41.960 1.00 0.00 H new ATOM 0 HG21 VAL A 4 103.839 112.566 -43.058 1.00 0.00 H new ATOM 0 HG22 VAL A 4 102.539 113.781 -43.105 1.00 0.00 H new ATOM 0 HG23 VAL A 4 104.086 114.163 -42.312 1.00 0.00 H new ATOM 69 N THR A 5 103.053 116.007 -41.296 1.00 0.00 N ATOM 70 CA THR A 5 103.824 117.236 -41.207 1.00 0.00 C ATOM 71 C THR A 5 103.388 118.104 -40.006 1.00 0.00 C ATOM 72 O THR A 5 104.214 118.678 -39.306 1.00 0.00 O ATOM 73 CB THR A 5 103.579 118.033 -42.496 1.00 0.00 C ATOM 74 OG1 THR A 5 103.789 117.254 -43.657 1.00 0.00 O ATOM 75 CG2 THR A 5 104.351 119.356 -42.514 1.00 0.00 C ATOM 0 H THR A 5 102.540 115.867 -42.166 1.00 0.00 H new ATOM 0 HA THR A 5 104.875 116.981 -41.074 1.00 0.00 H new ATOM 0 HB THR A 5 102.523 118.302 -42.505 1.00 0.00 H new ATOM 0 HG1 THR A 5 103.620 117.801 -44.453 1.00 0.00 H new ATOM 0 HG21 THR A 5 104.146 119.884 -43.445 1.00 0.00 H new ATOM 0 HG22 THR A 5 104.038 119.972 -41.671 1.00 0.00 H new ATOM 0 HG23 THR A 5 105.420 119.155 -42.439 1.00 0.00 H new ATOM 83 N TYR A 6 102.056 118.162 -39.812 1.00 0.00 N ATOM 84 CA TYR A 6 101.521 118.787 -38.612 1.00 0.00 C ATOM 85 C TYR A 6 101.936 118.045 -37.327 1.00 0.00 C ATOM 86 O TYR A 6 102.182 118.677 -36.310 1.00 0.00 O ATOM 87 CB TYR A 6 99.994 118.914 -38.696 1.00 0.00 C ATOM 88 CG TYR A 6 99.572 119.936 -39.721 1.00 0.00 C ATOM 89 CD1 TYR A 6 100.024 121.275 -39.612 1.00 0.00 C ATOM 90 CD2 TYR A 6 98.731 119.580 -40.808 1.00 0.00 C ATOM 91 CE1 TYR A 6 99.654 122.243 -40.577 1.00 0.00 C ATOM 92 CE2 TYR A 6 98.362 120.543 -41.779 1.00 0.00 C ATOM 93 CZ TYR A 6 98.825 121.876 -41.665 1.00 0.00 C ATOM 94 OH TYR A 6 98.471 122.815 -42.612 1.00 0.00 O ATOM 0 H TYR A 6 101.358 117.792 -40.457 1.00 0.00 H new ATOM 0 HA TYR A 6 101.953 119.786 -38.557 1.00 0.00 H new ATOM 0 HB2 TYR A 6 99.562 117.946 -38.949 1.00 0.00 H new ATOM 0 HB3 TYR A 6 99.598 119.194 -37.720 1.00 0.00 H new ATOM 0 HD1 TYR A 6 100.657 121.560 -38.785 1.00 0.00 H new ATOM 0 HD2 TYR A 6 98.369 118.566 -40.895 1.00 0.00 H new ATOM 0 HE1 TYR A 6 100.004 123.260 -40.483 1.00 0.00 H new ATOM 0 HE2 TYR A 6 97.728 120.260 -42.606 1.00 0.00 H new ATOM 0 HH TYR A 6 97.900 122.397 -43.290 1.00 0.00 H new ATOM 104 N ILE A 7 101.984 116.696 -37.396 1.00 0.00 N ATOM 105 CA ILE A 7 102.483 115.957 -36.242 1.00 0.00 C ATOM 106 C ILE A 7 103.918 116.381 -35.873 1.00 0.00 C ATOM 107 O ILE A 7 104.238 116.616 -34.715 1.00 0.00 O ATOM 108 CB ILE A 7 102.432 114.456 -36.533 1.00 0.00 C ATOM 109 CG1 ILE A 7 100.993 113.993 -36.732 1.00 0.00 C ATOM 110 CG2 ILE A 7 103.113 113.638 -35.431 1.00 0.00 C ATOM 111 CD1 ILE A 7 100.262 113.889 -35.398 1.00 0.00 C ATOM 0 H ILE A 7 101.698 116.132 -38.197 1.00 0.00 H new ATOM 0 HA ILE A 7 101.844 116.186 -35.389 1.00 0.00 H new ATOM 0 HB ILE A 7 102.985 114.286 -37.457 1.00 0.00 H new ATOM 0 HG12 ILE A 7 100.469 114.692 -37.384 1.00 0.00 H new ATOM 0 HG13 ILE A 7 100.985 113.024 -37.231 1.00 0.00 H new ATOM 0 HG21 ILE A 7 103.055 112.578 -35.676 1.00 0.00 H new ATOM 0 HG22 ILE A 7 104.159 113.935 -35.351 1.00 0.00 H new ATOM 0 HG23 ILE A 7 102.611 113.819 -34.481 1.00 0.00 H new ATOM 0 HD11 ILE A 7 99.238 113.557 -35.569 1.00 0.00 H new ATOM 0 HD12 ILE A 7 100.774 113.171 -34.757 1.00 0.00 H new ATOM 0 HD13 ILE A 7 100.251 114.865 -34.912 1.00 0.00 H new ATOM 123 N ILE A 8 104.751 116.453 -36.926 1.00 0.00 N ATOM 124 CA ILE A 8 106.102 116.956 -36.750 1.00 0.00 C ATOM 125 C ILE A 8 106.105 118.368 -36.120 1.00 0.00 C ATOM 126 O ILE A 8 106.898 118.664 -35.235 1.00 0.00 O ATOM 127 CB ILE A 8 106.802 116.985 -38.113 1.00 0.00 C ATOM 128 CG1 ILE A 8 106.826 115.600 -38.774 1.00 0.00 C ATOM 129 CG2 ILE A 8 108.219 117.543 -37.981 1.00 0.00 C ATOM 130 CD1 ILE A 8 107.015 115.691 -40.289 1.00 0.00 C ATOM 0 H ILE A 8 104.512 116.175 -37.878 1.00 0.00 H new ATOM 0 HA ILE A 8 106.635 116.294 -36.068 1.00 0.00 H new ATOM 0 HB ILE A 8 106.225 117.646 -38.760 1.00 0.00 H new ATOM 0 HG12 ILE A 8 107.632 115.007 -38.343 1.00 0.00 H new ATOM 0 HG13 ILE A 8 105.894 115.078 -38.556 1.00 0.00 H new ATOM 0 HG21 ILE A 8 108.698 117.555 -38.960 1.00 0.00 H new ATOM 0 HG22 ILE A 8 108.175 118.558 -37.586 1.00 0.00 H new ATOM 0 HG23 ILE A 8 108.796 116.915 -37.302 1.00 0.00 H new ATOM 0 HD11 ILE A 8 107.026 114.688 -40.715 1.00 0.00 H new ATOM 0 HD12 ILE A 8 106.194 116.261 -40.724 1.00 0.00 H new ATOM 0 HD13 ILE A 8 107.959 116.189 -40.509 1.00 0.00 H new ATOM 142 N LYS A 9 105.177 119.210 -36.623 1.00 0.00 N ATOM 143 CA LYS A 9 105.040 120.546 -36.065 1.00 0.00 C ATOM 144 C LYS A 9 104.657 120.503 -34.572 1.00 0.00 C ATOM 145 O LYS A 9 105.289 121.135 -33.735 1.00 0.00 O ATOM 146 CB LYS A 9 103.940 121.275 -36.832 1.00 0.00 C ATOM 147 CG LYS A 9 104.028 122.793 -36.668 1.00 0.00 C ATOM 148 CD LYS A 9 105.137 123.399 -37.529 1.00 0.00 C ATOM 149 CE LYS A 9 106.339 123.832 -36.689 1.00 0.00 C ATOM 150 NZ LYS A 9 106.100 125.084 -35.982 1.00 0.00 N ATOM 0 H LYS A 9 104.539 118.988 -37.387 1.00 0.00 H new ATOM 0 HA LYS A 9 105.997 121.059 -36.155 1.00 0.00 H new ATOM 0 HB2 LYS A 9 104.008 121.021 -37.890 1.00 0.00 H new ATOM 0 HB3 LYS A 9 102.967 120.930 -36.483 1.00 0.00 H new ATOM 0 HG2 LYS A 9 103.073 123.243 -36.938 1.00 0.00 H new ATOM 0 HG3 LYS A 9 104.209 123.035 -35.621 1.00 0.00 H new ATOM 0 HD2 LYS A 9 105.458 122.670 -38.273 1.00 0.00 H new ATOM 0 HD3 LYS A 9 104.746 124.259 -38.073 1.00 0.00 H new ATOM 0 HE2 LYS A 9 106.575 123.050 -35.968 1.00 0.00 H new ATOM 0 HE3 LYS A 9 107.210 123.943 -37.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 106.943 125.336 -35.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 105.900 125.838 -36.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 105.286 124.973 -35.344 1.00 0.00 H new ATOM 164 N ALA A 10 103.591 119.723 -34.298 1.00 0.00 N ATOM 165 CA ALA A 10 102.984 119.777 -32.977 1.00 0.00 C ATOM 166 C ALA A 10 103.918 119.173 -31.914 1.00 0.00 C ATOM 167 O ALA A 10 104.116 119.742 -30.848 1.00 0.00 O ATOM 168 CB ALA A 10 101.644 119.035 -32.989 1.00 0.00 C ATOM 0 H ALA A 10 103.155 119.075 -34.954 1.00 0.00 H new ATOM 0 HA ALA A 10 102.813 120.822 -32.720 1.00 0.00 H new ATOM 0 HB1 ALA A 10 101.195 119.079 -31.997 1.00 0.00 H new ATOM 0 HB2 ALA A 10 100.975 119.503 -33.711 1.00 0.00 H new ATOM 0 HB3 ALA A 10 101.807 117.994 -33.267 1.00 0.00 H new ATOM 174 N SER A 11 104.475 117.993 -32.264 1.00 0.00 N ATOM 175 CA SER A 11 105.468 117.378 -31.401 1.00 0.00 C ATOM 176 C SER A 11 106.602 118.346 -31.014 1.00 0.00 C ATOM 177 O SER A 11 106.984 118.449 -29.855 1.00 0.00 O ATOM 178 CB SER A 11 106.061 116.149 -32.106 1.00 0.00 C ATOM 179 OG SER A 11 107.228 115.614 -31.491 1.00 0.00 O ATOM 0 H SER A 11 104.254 117.473 -33.113 1.00 0.00 H new ATOM 0 HA SER A 11 104.964 117.089 -30.479 1.00 0.00 H new ATOM 0 HB2 SER A 11 105.300 115.370 -32.149 1.00 0.00 H new ATOM 0 HB3 SER A 11 106.300 116.418 -33.135 1.00 0.00 H new ATOM 0 HG SER A 11 107.061 114.686 -31.224 1.00 0.00 H new ATOM 185 N ASN A 12 107.102 119.025 -32.071 1.00 0.00 N ATOM 186 CA ASN A 12 108.178 120.010 -32.002 1.00 0.00 C ATOM 187 C ASN A 12 109.445 119.442 -32.641 1.00 0.00 C ATOM 188 O ASN A 12 110.457 119.218 -31.988 1.00 0.00 O ATOM 189 CB ASN A 12 108.484 120.477 -30.577 1.00 0.00 C ATOM 190 CG ASN A 12 109.319 121.759 -30.612 1.00 0.00 C ATOM 191 OD1 ASN A 12 110.447 121.810 -30.137 1.00 0.00 O ATOM 192 ND2 ASN A 12 108.683 122.784 -31.208 1.00 0.00 N ATOM 0 H ASN A 12 106.750 118.891 -33.019 1.00 0.00 H new ATOM 0 HA ASN A 12 107.833 120.885 -32.552 1.00 0.00 H new ATOM 0 HB2 ASN A 12 107.554 120.654 -30.036 1.00 0.00 H new ATOM 0 HB3 ASN A 12 109.023 119.697 -30.038 1.00 0.00 H new ATOM 0 HD21 ASN A 12 109.143 123.691 -31.290 1.00 0.00 H new ATOM 0 HD22 ASN A 12 107.741 122.654 -31.577 1.00 0.00 H new ATOM 199 N ASP A 13 109.312 119.230 -33.965 1.00 0.00 N ATOM 200 CA ASP A 13 110.463 118.809 -34.754 1.00 0.00 C ATOM 201 C ASP A 13 111.191 117.606 -34.126 1.00 0.00 C ATOM 202 O ASP A 13 112.407 117.599 -33.978 1.00 0.00 O ATOM 203 CB ASP A 13 111.432 119.981 -34.908 1.00 0.00 C ATOM 204 CG ASP A 13 112.527 119.621 -35.913 1.00 0.00 C ATOM 205 OD1 ASP A 13 112.196 119.303 -37.054 1.00 0.00 O ATOM 206 OD2 ASP A 13 113.700 119.663 -35.544 1.00 0.00 O ATOM 0 H ASP A 13 108.444 119.342 -34.488 1.00 0.00 H new ATOM 0 HA ASP A 13 110.098 118.493 -35.731 1.00 0.00 H new ATOM 0 HB2 ASP A 13 110.894 120.867 -35.245 1.00 0.00 H new ATOM 0 HB3 ASP A 13 111.877 120.225 -33.944 1.00 0.00 H new ATOM 211 N VAL A 14 110.369 116.597 -33.772 1.00 0.00 N ATOM 212 CA VAL A 14 110.887 115.253 -33.589 1.00 0.00 C ATOM 213 C VAL A 14 110.665 114.447 -34.875 1.00 0.00 C ATOM 214 O VAL A 14 111.602 114.032 -35.547 1.00 0.00 O ATOM 215 CB VAL A 14 110.166 114.614 -32.399 1.00 0.00 C ATOM 216 CG1 VAL A 14 110.394 113.102 -32.325 1.00 0.00 C ATOM 217 CG2 VAL A 14 110.588 115.280 -31.089 1.00 0.00 C ATOM 0 H VAL A 14 109.366 116.697 -33.613 1.00 0.00 H new ATOM 0 HA VAL A 14 111.957 115.272 -33.383 1.00 0.00 H new ATOM 0 HB VAL A 14 109.099 114.775 -32.551 1.00 0.00 H new ATOM 0 HG11 VAL A 14 109.862 112.696 -31.465 1.00 0.00 H new ATOM 0 HG12 VAL A 14 110.022 112.633 -33.236 1.00 0.00 H new ATOM 0 HG13 VAL A 14 111.460 112.899 -32.222 1.00 0.00 H new ATOM 0 HG21 VAL A 14 110.064 114.810 -30.257 1.00 0.00 H new ATOM 0 HG22 VAL A 14 111.663 115.165 -30.952 1.00 0.00 H new ATOM 0 HG23 VAL A 14 110.338 116.340 -31.123 1.00 0.00 H new ATOM 227 N LEU A 15 109.364 114.258 -35.164 1.00 0.00 N ATOM 228 CA LEU A 15 109.006 113.207 -36.094 1.00 0.00 C ATOM 229 C LEU A 15 109.549 113.549 -37.486 1.00 0.00 C ATOM 230 O LEU A 15 110.016 114.650 -37.750 1.00 0.00 O ATOM 231 CB LEU A 15 107.482 113.053 -36.171 1.00 0.00 C ATOM 232 CG LEU A 15 106.800 112.575 -34.881 1.00 0.00 C ATOM 233 CD1 LEU A 15 107.270 111.191 -34.421 1.00 0.00 C ATOM 234 CD2 LEU A 15 106.929 113.589 -33.746 1.00 0.00 C ATOM 0 H LEU A 15 108.587 114.797 -34.781 1.00 0.00 H new ATOM 0 HA LEU A 15 109.439 112.270 -35.745 1.00 0.00 H new ATOM 0 HB2 LEU A 15 107.051 114.013 -36.455 1.00 0.00 H new ATOM 0 HB3 LEU A 15 107.245 112.349 -36.969 1.00 0.00 H new ATOM 0 HG LEU A 15 105.745 112.484 -35.138 1.00 0.00 H new ATOM 0 HD11 LEU A 15 106.748 110.915 -33.505 1.00 0.00 H new ATOM 0 HD12 LEU A 15 107.053 110.457 -35.197 1.00 0.00 H new ATOM 0 HD13 LEU A 15 108.344 111.215 -34.234 1.00 0.00 H new ATOM 0 HD21 LEU A 15 106.431 113.204 -32.856 1.00 0.00 H new ATOM 0 HD22 LEU A 15 107.983 113.758 -33.527 1.00 0.00 H new ATOM 0 HD23 LEU A 15 106.465 114.529 -34.044 1.00 0.00 H new ATOM 246 N ASN A 16 109.450 112.523 -38.353 1.00 0.00 N ATOM 247 CA ASN A 16 109.345 112.788 -39.782 1.00 0.00 C ATOM 248 C ASN A 16 107.856 112.798 -40.171 1.00 0.00 C ATOM 249 O ASN A 16 106.984 112.991 -39.333 1.00 0.00 O ATOM 250 CB ASN A 16 110.147 111.734 -40.559 1.00 0.00 C ATOM 251 CG ASN A 16 111.634 111.821 -40.199 1.00 0.00 C ATOM 252 OD1 ASN A 16 112.433 112.435 -40.896 1.00 0.00 O ATOM 253 ND2 ASN A 16 111.939 111.163 -39.067 1.00 0.00 N ATOM 0 H ASN A 16 109.441 111.537 -38.091 1.00 0.00 H new ATOM 0 HA ASN A 16 109.767 113.761 -40.033 1.00 0.00 H new ATOM 0 HB2 ASN A 16 109.769 110.738 -40.329 1.00 0.00 H new ATOM 0 HB3 ASN A 16 110.016 111.886 -41.630 1.00 0.00 H new ATOM 0 HD21 ASN A 16 112.901 111.150 -38.728 1.00 0.00 H new ATOM 0 HD22 ASN A 16 111.208 110.677 -38.547 1.00 0.00 H new ATOM 260 N GLU A 17 107.614 112.583 -41.482 1.00 0.00 N ATOM 261 CA GLU A 17 106.416 111.858 -41.884 1.00 0.00 C ATOM 262 C GLU A 17 106.295 110.506 -41.156 1.00 0.00 C ATOM 263 O GLU A 17 105.297 110.212 -40.512 1.00 0.00 O ATOM 264 CB GLU A 17 106.445 111.625 -43.395 1.00 0.00 C ATOM 265 CG GLU A 17 106.466 112.939 -44.177 1.00 0.00 C ATOM 266 CD GLU A 17 105.963 112.702 -45.603 1.00 0.00 C ATOM 267 OE1 GLU A 17 106.365 111.711 -46.210 1.00 0.00 O ATOM 268 OE2 GLU A 17 105.174 113.512 -46.088 1.00 0.00 O ATOM 0 H GLU A 17 108.215 112.893 -42.246 1.00 0.00 H new ATOM 0 HA GLU A 17 105.550 112.462 -41.612 1.00 0.00 H new ATOM 0 HB2 GLU A 17 107.324 111.035 -43.654 1.00 0.00 H new ATOM 0 HB3 GLU A 17 105.572 111.042 -43.689 1.00 0.00 H new ATOM 0 HG2 GLU A 17 105.840 113.679 -43.679 1.00 0.00 H new ATOM 0 HG3 GLU A 17 107.478 113.342 -44.201 1.00 0.00 H new ATOM 275 N LYS A 18 107.375 109.715 -41.304 1.00 0.00 N ATOM 276 CA LYS A 18 107.238 108.283 -41.090 1.00 0.00 C ATOM 277 C LYS A 18 106.867 107.957 -39.633 1.00 0.00 C ATOM 278 O LYS A 18 105.941 107.201 -39.366 1.00 0.00 O ATOM 279 CB LYS A 18 108.552 107.597 -41.457 1.00 0.00 C ATOM 280 CG LYS A 18 108.921 107.830 -42.918 1.00 0.00 C ATOM 281 CD LYS A 18 110.054 106.907 -43.361 1.00 0.00 C ATOM 282 CE LYS A 18 110.997 107.589 -44.352 1.00 0.00 C ATOM 283 NZ LYS A 18 112.212 106.818 -44.583 1.00 0.00 N ATOM 0 H LYS A 18 108.309 110.035 -41.560 1.00 0.00 H new ATOM 0 HA LYS A 18 106.430 107.917 -41.724 1.00 0.00 H new ATOM 0 HB2 LYS A 18 109.350 107.972 -40.816 1.00 0.00 H new ATOM 0 HB3 LYS A 18 108.469 106.527 -41.269 1.00 0.00 H new ATOM 0 HG2 LYS A 18 108.047 107.663 -43.547 1.00 0.00 H new ATOM 0 HG3 LYS A 18 109.220 108.869 -43.058 1.00 0.00 H new ATOM 0 HD2 LYS A 18 110.620 106.583 -42.487 1.00 0.00 H new ATOM 0 HD3 LYS A 18 109.634 106.012 -43.819 1.00 0.00 H new ATOM 0 HE2 LYS A 18 110.479 107.738 -45.299 1.00 0.00 H new ATOM 0 HE3 LYS A 18 111.263 108.577 -43.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 112.915 107.414 -45.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 112.596 106.495 -43.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 111.992 105.994 -45.178 1.00 0.00 H new ATOM 297 N THR A 19 107.639 108.568 -38.716 1.00 0.00 N ATOM 298 CA THR A 19 107.315 108.402 -37.308 1.00 0.00 C ATOM 299 C THR A 19 105.980 109.064 -36.907 1.00 0.00 C ATOM 300 O THR A 19 105.277 108.572 -36.035 1.00 0.00 O ATOM 301 CB THR A 19 108.466 108.950 -36.461 1.00 0.00 C ATOM 302 OG1 THR A 19 108.748 110.289 -36.801 1.00 0.00 O ATOM 303 CG2 THR A 19 109.719 108.079 -36.601 1.00 0.00 C ATOM 0 H THR A 19 108.451 109.151 -38.919 1.00 0.00 H new ATOM 0 HA THR A 19 107.185 107.335 -37.125 1.00 0.00 H new ATOM 0 HB THR A 19 108.153 108.923 -35.417 1.00 0.00 H new ATOM 0 HG1 THR A 19 109.707 110.459 -36.694 1.00 0.00 H new ATOM 0 HG21 THR A 19 110.520 108.493 -35.988 1.00 0.00 H new ATOM 0 HG22 THR A 19 109.496 107.065 -36.270 1.00 0.00 H new ATOM 0 HG23 THR A 19 110.034 108.059 -37.644 1.00 0.00 H new ATOM 311 N ALA A 20 105.673 110.197 -37.565 1.00 0.00 N ATOM 312 CA ALA A 20 104.421 110.867 -37.266 1.00 0.00 C ATOM 313 C ALA A 20 103.196 109.983 -37.585 1.00 0.00 C ATOM 314 O ALA A 20 102.274 109.871 -36.785 1.00 0.00 O ATOM 315 CB ALA A 20 104.361 112.152 -38.100 1.00 0.00 C ATOM 0 H ALA A 20 106.254 110.643 -38.275 1.00 0.00 H new ATOM 0 HA ALA A 20 104.387 111.086 -36.199 1.00 0.00 H new ATOM 0 HB1 ALA A 20 103.428 112.676 -37.894 1.00 0.00 H new ATOM 0 HB2 ALA A 20 105.203 112.794 -37.840 1.00 0.00 H new ATOM 0 HB3 ALA A 20 104.410 111.901 -39.160 1.00 0.00 H new ATOM 321 N THR A 21 103.236 109.365 -38.783 1.00 0.00 N ATOM 322 CA THR A 21 102.152 108.457 -39.144 1.00 0.00 C ATOM 323 C THR A 21 102.113 107.180 -38.278 1.00 0.00 C ATOM 324 O THR A 21 101.051 106.675 -37.934 1.00 0.00 O ATOM 325 CB THR A 21 102.222 108.141 -40.642 1.00 0.00 C ATOM 326 OG1 THR A 21 100.987 107.663 -41.130 1.00 0.00 O ATOM 327 CG2 THR A 21 103.370 107.203 -41.029 1.00 0.00 C ATOM 0 H THR A 21 103.972 109.475 -39.480 1.00 0.00 H new ATOM 0 HA THR A 21 101.210 108.965 -38.935 1.00 0.00 H new ATOM 0 HB THR A 21 102.441 109.093 -41.126 1.00 0.00 H new ATOM 0 HG1 THR A 21 101.065 107.473 -42.088 1.00 0.00 H new ATOM 0 HG21 THR A 21 103.351 107.029 -42.105 1.00 0.00 H new ATOM 0 HG22 THR A 21 104.321 107.658 -40.752 1.00 0.00 H new ATOM 0 HG23 THR A 21 103.256 106.254 -40.506 1.00 0.00 H new ATOM 335 N ILE A 22 103.321 106.686 -37.965 1.00 0.00 N ATOM 336 CA ILE A 22 103.419 105.471 -37.170 1.00 0.00 C ATOM 337 C ILE A 22 102.877 105.686 -35.746 1.00 0.00 C ATOM 338 O ILE A 22 102.045 104.933 -35.255 1.00 0.00 O ATOM 339 CB ILE A 22 104.893 105.075 -37.109 1.00 0.00 C ATOM 340 CG1 ILE A 22 105.404 104.702 -38.505 1.00 0.00 C ATOM 341 CG2 ILE A 22 105.168 103.977 -36.070 1.00 0.00 C ATOM 342 CD1 ILE A 22 105.371 103.196 -38.771 1.00 0.00 C ATOM 0 H ILE A 22 104.211 107.099 -38.243 1.00 0.00 H new ATOM 0 HA ILE A 22 102.820 104.685 -37.630 1.00 0.00 H new ATOM 0 HB ILE A 22 105.456 105.944 -36.768 1.00 0.00 H new ATOM 0 HG12 ILE A 22 104.799 105.211 -39.255 1.00 0.00 H new ATOM 0 HG13 ILE A 22 106.426 105.063 -38.620 1.00 0.00 H new ATOM 0 HG21 ILE A 22 106.231 103.735 -36.069 1.00 0.00 H new ATOM 0 HG22 ILE A 22 104.876 104.330 -35.081 1.00 0.00 H new ATOM 0 HG23 ILE A 22 104.593 103.086 -36.321 1.00 0.00 H new ATOM 0 HD11 ILE A 22 105.745 102.996 -39.775 1.00 0.00 H new ATOM 0 HD12 ILE A 22 105.998 102.684 -38.041 1.00 0.00 H new ATOM 0 HD13 ILE A 22 104.346 102.834 -38.686 1.00 0.00 H new ATOM 354 N LEU A 23 103.405 106.760 -35.124 1.00 0.00 N ATOM 355 CA LEU A 23 102.865 107.203 -33.849 1.00 0.00 C ATOM 356 C LEU A 23 101.334 107.392 -33.898 1.00 0.00 C ATOM 357 O LEU A 23 100.639 107.078 -32.943 1.00 0.00 O ATOM 358 CB LEU A 23 103.564 108.510 -33.448 1.00 0.00 C ATOM 359 CG LEU A 23 102.847 109.298 -32.347 1.00 0.00 C ATOM 360 CD1 LEU A 23 102.690 108.448 -31.086 1.00 0.00 C ATOM 361 CD2 LEU A 23 103.578 110.607 -32.046 1.00 0.00 C ATOM 0 H LEU A 23 104.183 107.315 -35.482 1.00 0.00 H new ATOM 0 HA LEU A 23 103.056 106.432 -33.103 1.00 0.00 H new ATOM 0 HB2 LEU A 23 104.575 108.279 -33.113 1.00 0.00 H new ATOM 0 HB3 LEU A 23 103.657 109.144 -34.330 1.00 0.00 H new ATOM 0 HG LEU A 23 101.849 109.552 -32.705 1.00 0.00 H new ATOM 0 HD11 LEU A 23 102.178 109.028 -30.318 1.00 0.00 H new ATOM 0 HD12 LEU A 23 102.106 107.557 -31.318 1.00 0.00 H new ATOM 0 HD13 LEU A 23 103.674 108.152 -30.722 1.00 0.00 H new ATOM 0 HD21 LEU A 23 103.049 111.147 -31.261 1.00 0.00 H new ATOM 0 HD22 LEU A 23 104.593 110.389 -31.715 1.00 0.00 H new ATOM 0 HD23 LEU A 23 103.614 111.219 -32.947 1.00 0.00 H new ATOM 373 N ILE A 24 100.858 107.930 -35.037 1.00 0.00 N ATOM 374 CA ILE A 24 99.422 108.064 -35.197 1.00 0.00 C ATOM 375 C ILE A 24 98.721 106.697 -35.174 1.00 0.00 C ATOM 376 O ILE A 24 97.745 106.495 -34.466 1.00 0.00 O ATOM 377 CB ILE A 24 99.157 108.838 -36.485 1.00 0.00 C ATOM 378 CG1 ILE A 24 99.572 110.290 -36.265 1.00 0.00 C ATOM 379 CG2 ILE A 24 97.712 108.701 -36.983 1.00 0.00 C ATOM 380 CD1 ILE A 24 98.417 111.153 -35.752 1.00 0.00 C ATOM 0 H ILE A 24 101.425 108.261 -35.818 1.00 0.00 H new ATOM 0 HA ILE A 24 99.002 108.618 -34.358 1.00 0.00 H new ATOM 0 HB ILE A 24 99.757 108.409 -37.288 1.00 0.00 H new ATOM 0 HG12 ILE A 24 100.395 110.326 -35.551 1.00 0.00 H new ATOM 0 HG13 ILE A 24 99.945 110.705 -37.202 1.00 0.00 H new ATOM 0 HG21 ILE A 24 97.588 109.274 -37.902 1.00 0.00 H new ATOM 0 HG22 ILE A 24 97.492 107.651 -37.178 1.00 0.00 H new ATOM 0 HG23 ILE A 24 97.028 109.080 -36.224 1.00 0.00 H new ATOM 0 HD11 ILE A 24 98.763 112.177 -35.611 1.00 0.00 H new ATOM 0 HD12 ILE A 24 97.604 111.141 -36.478 1.00 0.00 H new ATOM 0 HD13 ILE A 24 98.061 110.756 -34.801 1.00 0.00 H new ATOM 392 N THR A 25 99.271 105.780 -35.989 1.00 0.00 N ATOM 393 CA THR A 25 98.589 104.507 -36.162 1.00 0.00 C ATOM 394 C THR A 25 98.420 103.768 -34.817 1.00 0.00 C ATOM 395 O THR A 25 97.352 103.249 -34.514 1.00 0.00 O ATOM 396 CB THR A 25 99.362 103.630 -37.158 1.00 0.00 C ATOM 397 OG1 THR A 25 100.047 104.390 -38.130 1.00 0.00 O ATOM 398 CG2 THR A 25 98.443 102.609 -37.833 1.00 0.00 C ATOM 0 H THR A 25 100.141 105.894 -36.510 1.00 0.00 H new ATOM 0 HA THR A 25 97.593 104.708 -36.556 1.00 0.00 H new ATOM 0 HB THR A 25 100.111 103.094 -36.575 1.00 0.00 H new ATOM 0 HG1 THR A 25 100.644 105.027 -37.686 1.00 0.00 H new ATOM 0 HG21 THR A 25 99.022 102.005 -38.532 1.00 0.00 H new ATOM 0 HG22 THR A 25 97.999 101.963 -37.076 1.00 0.00 H new ATOM 0 HG23 THR A 25 97.653 103.131 -38.373 1.00 0.00 H new ATOM 406 N ILE A 26 99.519 103.750 -34.033 1.00 0.00 N ATOM 407 CA ILE A 26 99.380 103.300 -32.654 1.00 0.00 C ATOM 408 C ILE A 26 98.417 104.203 -31.860 1.00 0.00 C ATOM 409 O ILE A 26 97.495 103.738 -31.202 1.00 0.00 O ATOM 410 CB ILE A 26 100.742 103.325 -31.959 1.00 0.00 C ATOM 411 CG1 ILE A 26 101.813 102.529 -32.713 1.00 0.00 C ATOM 412 CG2 ILE A 26 100.618 102.847 -30.512 1.00 0.00 C ATOM 413 CD1 ILE A 26 103.160 103.250 -32.675 1.00 0.00 C ATOM 0 H ILE A 26 100.458 104.027 -34.320 1.00 0.00 H new ATOM 0 HA ILE A 26 98.979 102.287 -32.680 1.00 0.00 H new ATOM 0 HB ILE A 26 101.076 104.363 -31.959 1.00 0.00 H new ATOM 0 HG12 ILE A 26 101.914 101.538 -32.270 1.00 0.00 H new ATOM 0 HG13 ILE A 26 101.503 102.385 -33.748 1.00 0.00 H new ATOM 0 HG21 ILE A 26 101.598 102.872 -30.035 1.00 0.00 H new ATOM 0 HG22 ILE A 26 99.934 103.500 -29.970 1.00 0.00 H new ATOM 0 HG23 ILE A 26 100.234 101.827 -30.497 1.00 0.00 H new ATOM 0 HD11 ILE A 26 103.902 102.664 -33.217 1.00 0.00 H new ATOM 0 HD12 ILE A 26 103.061 104.230 -33.141 1.00 0.00 H new ATOM 0 HD13 ILE A 26 103.479 103.371 -31.640 1.00 0.00 H new ATOM 425 N ALA A 27 98.697 105.514 -31.970 1.00 0.00 N ATOM 426 CA ALA A 27 98.053 106.478 -31.080 1.00 0.00 C ATOM 427 C ALA A 27 96.517 106.338 -31.086 1.00 0.00 C ATOM 428 O ALA A 27 95.877 106.314 -30.041 1.00 0.00 O ATOM 429 CB ALA A 27 98.426 107.901 -31.499 1.00 0.00 C ATOM 0 H ALA A 27 99.346 105.915 -32.647 1.00 0.00 H new ATOM 0 HA ALA A 27 98.408 106.273 -30.070 1.00 0.00 H new ATOM 0 HB1 ALA A 27 97.943 108.615 -30.832 1.00 0.00 H new ATOM 0 HB2 ALA A 27 99.507 108.025 -31.442 1.00 0.00 H new ATOM 0 HB3 ALA A 27 98.094 108.078 -32.522 1.00 0.00 H new ATOM 435 N LYS A 28 95.972 106.250 -32.318 1.00 0.00 N ATOM 436 CA LYS A 28 94.555 105.961 -32.490 1.00 0.00 C ATOM 437 C LYS A 28 94.140 104.715 -31.687 1.00 0.00 C ATOM 438 O LYS A 28 93.243 104.753 -30.854 1.00 0.00 O ATOM 439 CB LYS A 28 94.239 105.768 -33.981 1.00 0.00 C ATOM 440 CG LYS A 28 92.910 106.421 -34.364 1.00 0.00 C ATOM 441 CD LYS A 28 92.209 105.670 -35.496 1.00 0.00 C ATOM 442 CE LYS A 28 92.634 106.184 -36.873 1.00 0.00 C ATOM 443 NZ LYS A 28 92.303 107.592 -37.066 1.00 0.00 N ATOM 0 H LYS A 28 96.491 106.374 -33.187 1.00 0.00 H new ATOM 0 HA LYS A 28 93.983 106.807 -32.110 1.00 0.00 H new ATOM 0 HB2 LYS A 28 95.042 106.196 -34.582 1.00 0.00 H new ATOM 0 HB3 LYS A 28 94.201 104.703 -34.211 1.00 0.00 H new ATOM 0 HG2 LYS A 28 92.257 106.454 -33.492 1.00 0.00 H new ATOM 0 HG3 LYS A 28 93.087 107.453 -34.668 1.00 0.00 H new ATOM 0 HD2 LYS A 28 92.435 104.606 -35.420 1.00 0.00 H new ATOM 0 HD3 LYS A 28 91.130 105.775 -35.387 1.00 0.00 H new ATOM 0 HE2 LYS A 28 93.708 106.046 -36.994 1.00 0.00 H new ATOM 0 HE3 LYS A 28 92.147 105.590 -37.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 91.730 107.699 -37.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 91.764 107.937 -36.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 93.179 108.145 -37.162 1.00 0.00 H new ATOM 457 N LYS A 29 94.856 103.620 -32.004 1.00 0.00 N ATOM 458 CA LYS A 29 94.394 102.302 -31.616 1.00 0.00 C ATOM 459 C LYS A 29 95.108 101.863 -30.330 1.00 0.00 C ATOM 460 O LYS A 29 96.327 101.769 -30.267 1.00 0.00 O ATOM 461 CB LYS A 29 94.715 101.308 -32.726 1.00 0.00 C ATOM 462 CG LYS A 29 94.105 99.947 -32.431 1.00 0.00 C ATOM 463 CD LYS A 29 94.309 98.985 -33.596 1.00 0.00 C ATOM 464 CE LYS A 29 93.107 98.964 -34.540 1.00 0.00 C ATOM 465 NZ LYS A 29 92.170 97.892 -34.227 1.00 0.00 N ATOM 0 H LYS A 29 95.737 103.634 -32.517 1.00 0.00 H new ATOM 0 HA LYS A 29 93.318 102.333 -31.445 1.00 0.00 H new ATOM 0 HB2 LYS A 29 94.334 101.683 -33.676 1.00 0.00 H new ATOM 0 HB3 LYS A 29 95.796 101.211 -32.831 1.00 0.00 H new ATOM 0 HG2 LYS A 29 94.556 99.531 -31.530 1.00 0.00 H new ATOM 0 HG3 LYS A 29 93.039 100.059 -32.231 1.00 0.00 H new ATOM 0 HD2 LYS A 29 95.201 99.273 -34.152 1.00 0.00 H new ATOM 0 HD3 LYS A 29 94.484 97.981 -33.210 1.00 0.00 H new ATOM 0 HE2 LYS A 29 92.590 99.922 -34.486 1.00 0.00 H new ATOM 0 HE3 LYS A 29 93.457 98.848 -35.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 91.234 98.125 -34.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 92.507 97.003 -34.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 92.100 97.782 -33.195 1.00 0.00 H new ATOM 479 N ASP A 30 94.260 101.599 -29.319 1.00 0.00 N ATOM 480 CA ASP A 30 94.749 101.163 -28.029 1.00 0.00 C ATOM 481 C ASP A 30 94.786 99.629 -27.980 1.00 0.00 C ATOM 482 O ASP A 30 93.760 98.964 -28.017 1.00 0.00 O ATOM 483 CB ASP A 30 93.808 101.687 -26.948 1.00 0.00 C ATOM 484 CG ASP A 30 94.027 103.187 -26.742 1.00 0.00 C ATOM 485 OD1 ASP A 30 94.107 103.911 -27.734 1.00 0.00 O ATOM 486 OD2 ASP A 30 94.117 103.615 -25.592 1.00 0.00 O ATOM 0 H ASP A 30 93.246 101.683 -29.384 1.00 0.00 H new ATOM 0 HA ASP A 30 95.756 101.547 -27.865 1.00 0.00 H new ATOM 0 HB2 ASP A 30 92.773 101.499 -27.233 1.00 0.00 H new ATOM 0 HB3 ASP A 30 93.983 101.154 -26.013 1.00 0.00 H new ATOM 491 N PHE A 31 96.034 99.124 -27.899 1.00 0.00 N ATOM 492 CA PHE A 31 96.310 97.760 -28.343 1.00 0.00 C ATOM 493 C PHE A 31 95.941 97.615 -29.827 1.00 0.00 C ATOM 494 O PHE A 31 95.100 96.810 -30.210 1.00 0.00 O ATOM 495 CB PHE A 31 95.556 96.706 -27.515 1.00 0.00 C ATOM 496 CG PHE A 31 95.888 96.740 -26.043 1.00 0.00 C ATOM 497 CD1 PHE A 31 95.185 97.619 -25.178 1.00 0.00 C ATOM 498 CD2 PHE A 31 96.888 95.892 -25.499 1.00 0.00 C ATOM 499 CE1 PHE A 31 95.456 97.632 -23.788 1.00 0.00 C ATOM 500 CE2 PHE A 31 97.161 95.903 -24.108 1.00 0.00 C ATOM 501 CZ PHE A 31 96.439 96.769 -23.252 1.00 0.00 C ATOM 0 H PHE A 31 96.842 99.632 -27.539 1.00 0.00 H new ATOM 0 HA PHE A 31 97.376 97.582 -28.200 1.00 0.00 H new ATOM 0 HB2 PHE A 31 94.484 96.857 -27.640 1.00 0.00 H new ATOM 0 HB3 PHE A 31 95.786 95.716 -27.908 1.00 0.00 H new ATOM 0 HD1 PHE A 31 94.437 98.284 -25.584 1.00 0.00 H new ATOM 0 HD2 PHE A 31 97.445 95.234 -26.149 1.00 0.00 H new ATOM 0 HE1 PHE A 31 94.912 98.301 -23.138 1.00 0.00 H new ATOM 0 HE2 PHE A 31 97.920 95.251 -23.701 1.00 0.00 H new ATOM 0 HZ PHE A 31 96.639 96.770 -22.191 1.00 0.00 H new ATOM 511 N ILE A 32 96.633 98.454 -30.624 1.00 0.00 N ATOM 512 CA ILE A 32 97.303 97.995 -31.826 1.00 0.00 C ATOM 513 C ILE A 32 98.231 96.812 -31.506 1.00 0.00 C ATOM 514 O ILE A 32 98.135 96.185 -30.459 1.00 0.00 O ATOM 515 CB ILE A 32 98.039 99.188 -32.465 1.00 0.00 C ATOM 516 CG1 ILE A 32 98.109 99.008 -33.974 1.00 0.00 C ATOM 517 CG2 ILE A 32 99.432 99.433 -31.877 1.00 0.00 C ATOM 518 CD1 ILE A 32 98.281 100.342 -34.697 1.00 0.00 C ATOM 0 H ILE A 32 96.734 99.453 -30.444 1.00 0.00 H new ATOM 0 HA ILE A 32 96.581 97.620 -32.551 1.00 0.00 H new ATOM 0 HB ILE A 32 97.458 100.080 -32.230 1.00 0.00 H new ATOM 0 HG12 ILE A 32 98.941 98.350 -34.223 1.00 0.00 H new ATOM 0 HG13 ILE A 32 97.200 98.519 -34.324 1.00 0.00 H new ATOM 0 HG21 ILE A 32 99.892 100.287 -32.374 1.00 0.00 H new ATOM 0 HG22 ILE A 32 99.346 99.637 -30.810 1.00 0.00 H new ATOM 0 HG23 ILE A 32 100.051 98.549 -32.028 1.00 0.00 H new ATOM 0 HD11 ILE A 32 98.327 100.170 -35.772 1.00 0.00 H new ATOM 0 HD12 ILE A 32 97.436 100.991 -34.469 1.00 0.00 H new ATOM 0 HD13 ILE A 32 99.204 100.819 -34.366 1.00 0.00 H new ATOM 530 N THR A 33 99.126 96.546 -32.471 1.00 0.00 N ATOM 531 CA THR A 33 100.476 96.158 -32.094 1.00 0.00 C ATOM 532 C THR A 33 101.465 96.762 -33.101 1.00 0.00 C ATOM 533 O THR A 33 101.096 97.503 -34.004 1.00 0.00 O ATOM 534 CB THR A 33 100.589 94.624 -32.049 1.00 0.00 C ATOM 535 OG1 THR A 33 100.634 94.039 -33.332 1.00 0.00 O ATOM 536 CG2 THR A 33 99.469 93.978 -31.220 1.00 0.00 C ATOM 0 H THR A 33 98.943 96.592 -33.473 1.00 0.00 H new ATOM 0 HA THR A 33 100.712 96.536 -31.099 1.00 0.00 H new ATOM 0 HB THR A 33 101.541 94.424 -31.556 1.00 0.00 H new ATOM 0 HG1 THR A 33 99.728 93.995 -33.703 1.00 0.00 H new ATOM 0 HG21 THR A 33 99.595 92.895 -31.220 1.00 0.00 H new ATOM 0 HG22 THR A 33 99.514 94.349 -30.196 1.00 0.00 H new ATOM 0 HG23 THR A 33 98.502 94.231 -31.655 1.00 0.00 H new ATOM 544 N ALA A 34 102.742 96.398 -32.887 1.00 0.00 N ATOM 545 CA ALA A 34 103.688 96.518 -33.991 1.00 0.00 C ATOM 546 C ALA A 34 103.229 95.769 -35.263 1.00 0.00 C ATOM 547 O ALA A 34 103.424 96.239 -36.376 1.00 0.00 O ATOM 548 CB ALA A 34 105.056 95.999 -33.547 1.00 0.00 C ATOM 0 H ALA A 34 103.120 96.039 -32.010 1.00 0.00 H new ATOM 0 HA ALA A 34 103.747 97.575 -34.253 1.00 0.00 H new ATOM 0 HB1 ALA A 34 105.764 96.088 -34.371 1.00 0.00 H new ATOM 0 HB2 ALA A 34 105.410 96.586 -32.699 1.00 0.00 H new ATOM 0 HB3 ALA A 34 104.971 94.953 -33.254 1.00 0.00 H new ATOM 554 N ALA A 35 102.621 94.590 -35.032 1.00 0.00 N ATOM 555 CA ALA A 35 102.110 93.800 -36.142 1.00 0.00 C ATOM 556 C ALA A 35 101.095 94.597 -36.985 1.00 0.00 C ATOM 557 O ALA A 35 101.199 94.659 -38.203 1.00 0.00 O ATOM 558 CB ALA A 35 101.489 92.494 -35.625 1.00 0.00 C ATOM 0 H ALA A 35 102.479 94.181 -34.108 1.00 0.00 H new ATOM 0 HA ALA A 35 102.949 93.553 -36.793 1.00 0.00 H new ATOM 0 HB1 ALA A 35 101.111 91.913 -36.466 1.00 0.00 H new ATOM 0 HB2 ALA A 35 102.246 91.916 -35.096 1.00 0.00 H new ATOM 0 HB3 ALA A 35 100.669 92.725 -34.946 1.00 0.00 H new ATOM 564 N GLU A 36 100.113 95.198 -36.284 1.00 0.00 N ATOM 565 CA GLU A 36 99.129 95.966 -37.030 1.00 0.00 C ATOM 566 C GLU A 36 99.772 97.151 -37.785 1.00 0.00 C ATOM 567 O GLU A 36 99.436 97.421 -38.931 1.00 0.00 O ATOM 568 CB GLU A 36 98.010 96.461 -36.103 1.00 0.00 C ATOM 569 CG GLU A 36 96.636 96.080 -36.647 1.00 0.00 C ATOM 570 CD GLU A 36 95.589 96.142 -35.533 1.00 0.00 C ATOM 571 OE1 GLU A 36 95.849 95.616 -34.452 1.00 0.00 O ATOM 572 OE2 GLU A 36 94.524 96.713 -35.760 1.00 0.00 O ATOM 0 H GLU A 36 99.991 95.167 -35.272 1.00 0.00 H new ATOM 0 HA GLU A 36 98.697 95.299 -37.776 1.00 0.00 H new ATOM 0 HB2 GLU A 36 98.142 96.034 -35.109 1.00 0.00 H new ATOM 0 HB3 GLU A 36 98.075 97.544 -35.996 1.00 0.00 H new ATOM 0 HG2 GLU A 36 96.357 96.756 -37.456 1.00 0.00 H new ATOM 0 HG3 GLU A 36 96.670 95.075 -37.068 1.00 0.00 H new ATOM 579 N VAL A 37 100.699 97.837 -37.086 1.00 0.00 N ATOM 580 CA VAL A 37 101.376 98.952 -37.731 1.00 0.00 C ATOM 581 C VAL A 37 102.141 98.510 -38.999 1.00 0.00 C ATOM 582 O VAL A 37 102.147 99.213 -40.000 1.00 0.00 O ATOM 583 CB VAL A 37 102.321 99.627 -36.734 1.00 0.00 C ATOM 584 CG1 VAL A 37 103.056 100.801 -37.385 1.00 0.00 C ATOM 585 CG2 VAL A 37 101.577 100.113 -35.483 1.00 0.00 C ATOM 0 H VAL A 37 100.978 97.644 -36.124 1.00 0.00 H new ATOM 0 HA VAL A 37 100.619 99.667 -38.052 1.00 0.00 H new ATOM 0 HB VAL A 37 103.049 98.875 -36.428 1.00 0.00 H new ATOM 0 HG11 VAL A 37 103.721 101.263 -36.656 1.00 0.00 H new ATOM 0 HG12 VAL A 37 103.640 100.440 -38.231 1.00 0.00 H new ATOM 0 HG13 VAL A 37 102.331 101.537 -37.732 1.00 0.00 H new ATOM 0 HG21 VAL A 37 102.283 100.586 -34.801 1.00 0.00 H new ATOM 0 HG22 VAL A 37 100.812 100.834 -35.772 1.00 0.00 H new ATOM 0 HG23 VAL A 37 101.106 99.264 -34.987 1.00 0.00 H new ATOM 595 N ARG A 38 102.802 97.337 -38.908 1.00 0.00 N ATOM 596 CA ARG A 38 103.258 96.698 -40.135 1.00 0.00 C ATOM 597 C ARG A 38 102.109 96.482 -41.149 1.00 0.00 C ATOM 598 O ARG A 38 102.247 96.755 -42.335 1.00 0.00 O ATOM 599 CB ARG A 38 103.918 95.367 -39.792 1.00 0.00 C ATOM 600 CG ARG A 38 105.224 95.556 -39.020 1.00 0.00 C ATOM 601 CD ARG A 38 106.367 94.739 -39.631 1.00 0.00 C ATOM 602 NE ARG A 38 107.282 94.287 -38.600 1.00 0.00 N ATOM 603 CZ ARG A 38 106.906 93.254 -37.826 1.00 0.00 C ATOM 604 NH1 ARG A 38 106.963 92.012 -38.299 1.00 0.00 N ATOM 605 NH2 ARG A 38 106.474 93.472 -36.586 1.00 0.00 N ATOM 0 H ARG A 38 103.018 96.843 -38.042 1.00 0.00 H new ATOM 0 HA ARG A 38 103.979 97.362 -40.612 1.00 0.00 H new ATOM 0 HB2 ARG A 38 103.231 94.764 -39.199 1.00 0.00 H new ATOM 0 HB3 ARG A 38 104.117 94.814 -40.710 1.00 0.00 H new ATOM 0 HG2 ARG A 38 105.494 96.612 -39.015 1.00 0.00 H new ATOM 0 HG3 ARG A 38 105.079 95.259 -37.981 1.00 0.00 H new ATOM 0 HD2 ARG A 38 105.961 93.880 -40.166 1.00 0.00 H new ATOM 0 HD3 ARG A 38 106.904 95.345 -40.361 1.00 0.00 H new ATOM 0 HE ARG A 38 108.186 94.740 -38.466 1.00 0.00 H new ATOM 0 HH11 ARG A 38 107.292 91.843 -39.249 1.00 0.00 H new ATOM 0 HH12 ARG A 38 106.678 91.229 -37.711 1.00 0.00 H new ATOM 0 HH21 ARG A 38 106.428 94.424 -36.222 1.00 0.00 H new ATOM 0 HH22 ARG A 38 106.189 92.687 -36.000 1.00 0.00 H new ATOM 619 N GLU A 39 100.981 95.978 -40.609 1.00 0.00 N ATOM 620 CA GLU A 39 99.960 95.390 -41.467 1.00 0.00 C ATOM 621 C GLU A 39 99.211 96.447 -42.299 1.00 0.00 C ATOM 622 O GLU A 39 98.926 96.244 -43.473 1.00 0.00 O ATOM 623 CB GLU A 39 98.958 94.623 -40.611 1.00 0.00 C ATOM 624 CG GLU A 39 99.601 93.409 -39.947 1.00 0.00 C ATOM 625 CD GLU A 39 99.093 92.096 -40.556 1.00 0.00 C ATOM 626 OE1 GLU A 39 98.828 92.071 -41.757 1.00 0.00 O ATOM 627 OE2 GLU A 39 98.970 91.118 -39.822 1.00 0.00 O ATOM 0 H GLU A 39 100.767 95.970 -39.612 1.00 0.00 H new ATOM 0 HA GLU A 39 100.466 94.720 -42.163 1.00 0.00 H new ATOM 0 HB2 GLU A 39 98.551 95.284 -39.846 1.00 0.00 H new ATOM 0 HB3 GLU A 39 98.122 94.299 -41.231 1.00 0.00 H new ATOM 0 HG2 GLU A 39 100.684 93.466 -40.055 1.00 0.00 H new ATOM 0 HG3 GLU A 39 99.386 93.422 -38.878 1.00 0.00 H new ATOM 719 N ASN A 46 108.092 98.620 -44.471 1.00 0.00 N ATOM 720 CA ASN A 46 108.348 97.571 -43.486 1.00 0.00 C ATOM 721 C ASN A 46 109.552 97.894 -42.576 1.00 0.00 C ATOM 722 O ASN A 46 109.469 97.823 -41.355 1.00 0.00 O ATOM 723 CB ASN A 46 108.622 96.254 -44.212 1.00 0.00 C ATOM 724 CG ASN A 46 108.226 95.074 -43.321 1.00 0.00 C ATOM 725 OD1 ASN A 46 108.892 95.057 -42.152 1.00 0.00 O flip ATOM 726 ND2 ASN A 46 107.387 94.252 -43.668 1.00 0.00 N flip ATOM 0 HA ASN A 46 107.463 97.497 -42.855 1.00 0.00 H new ATOM 0 HB2 ASN A 46 108.061 96.220 -45.146 1.00 0.00 H new ATOM 0 HB3 ASN A 46 109.678 96.185 -44.473 1.00 0.00 H new ATOM 0 HD21 ASN A 46 106.930 94.342 -44.575 1.00 0.00 H new ATOM 0 HD22 ASN A 46 107.146 93.477 -43.050 1.00 0.00 H new ATOM 733 N ALA A 47 110.663 98.255 -43.246 1.00 0.00 N ATOM 734 CA ALA A 47 111.878 98.514 -42.491 1.00 0.00 C ATOM 735 C ALA A 47 111.744 99.765 -41.602 1.00 0.00 C ATOM 736 O ALA A 47 112.101 99.751 -40.429 1.00 0.00 O ATOM 737 CB ALA A 47 113.048 98.684 -43.459 1.00 0.00 C ATOM 0 H ALA A 47 110.735 98.367 -44.257 1.00 0.00 H new ATOM 0 HA ALA A 47 112.057 97.663 -41.834 1.00 0.00 H new ATOM 0 HB1 ALA A 47 113.961 98.878 -42.896 1.00 0.00 H new ATOM 0 HB2 ALA A 47 113.170 97.773 -44.045 1.00 0.00 H new ATOM 0 HB3 ALA A 47 112.849 99.522 -44.127 1.00 0.00 H new ATOM 743 N VAL A 48 111.206 100.839 -42.216 1.00 0.00 N ATOM 744 CA VAL A 48 111.102 102.059 -41.424 1.00 0.00 C ATOM 745 C VAL A 48 110.137 101.885 -40.236 1.00 0.00 C ATOM 746 O VAL A 48 110.379 102.398 -39.154 1.00 0.00 O ATOM 747 CB VAL A 48 110.685 103.253 -42.288 1.00 0.00 C ATOM 748 CG1 VAL A 48 111.603 103.405 -43.498 1.00 0.00 C ATOM 749 CG2 VAL A 48 109.228 103.174 -42.734 1.00 0.00 C ATOM 0 H VAL A 48 110.866 100.883 -43.176 1.00 0.00 H new ATOM 0 HA VAL A 48 112.094 102.263 -41.021 1.00 0.00 H new ATOM 0 HB VAL A 48 110.783 104.137 -41.658 1.00 0.00 H new ATOM 0 HG11 VAL A 48 111.283 104.261 -44.093 1.00 0.00 H new ATOM 0 HG12 VAL A 48 112.627 103.561 -43.160 1.00 0.00 H new ATOM 0 HG13 VAL A 48 111.555 102.502 -44.107 1.00 0.00 H new ATOM 0 HG21 VAL A 48 108.986 104.045 -43.343 1.00 0.00 H new ATOM 0 HG22 VAL A 48 109.076 102.268 -43.320 1.00 0.00 H new ATOM 0 HG23 VAL A 48 108.580 103.153 -41.858 1.00 0.00 H new ATOM 759 N VAL A 49 109.044 101.143 -40.500 1.00 0.00 N ATOM 760 CA VAL A 49 107.985 100.978 -39.517 1.00 0.00 C ATOM 761 C VAL A 49 108.501 100.348 -38.211 1.00 0.00 C ATOM 762 O VAL A 49 108.148 100.778 -37.119 1.00 0.00 O ATOM 763 CB VAL A 49 106.862 100.130 -40.127 1.00 0.00 C ATOM 764 CG1 VAL A 49 105.792 99.776 -39.098 1.00 0.00 C ATOM 765 CG2 VAL A 49 106.228 100.858 -41.302 1.00 0.00 C ATOM 0 H VAL A 49 108.883 100.657 -41.382 1.00 0.00 H new ATOM 0 HA VAL A 49 107.600 101.964 -39.256 1.00 0.00 H new ATOM 0 HB VAL A 49 107.311 99.200 -40.475 1.00 0.00 H new ATOM 0 HG11 VAL A 49 105.016 99.175 -39.572 1.00 0.00 H new ATOM 0 HG12 VAL A 49 106.243 99.209 -38.284 1.00 0.00 H new ATOM 0 HG13 VAL A 49 105.351 100.691 -38.702 1.00 0.00 H new ATOM 0 HG21 VAL A 49 105.433 100.244 -41.724 1.00 0.00 H new ATOM 0 HG22 VAL A 49 105.812 101.806 -40.961 1.00 0.00 H new ATOM 0 HG23 VAL A 49 106.984 101.047 -42.064 1.00 0.00 H new ATOM 775 N ASN A 50 109.349 99.313 -38.380 1.00 0.00 N ATOM 776 CA ASN A 50 110.062 98.785 -37.221 1.00 0.00 C ATOM 777 C ASN A 50 110.830 99.890 -36.463 1.00 0.00 C ATOM 778 O ASN A 50 110.758 99.994 -35.245 1.00 0.00 O ATOM 779 CB ASN A 50 111.049 97.706 -37.681 1.00 0.00 C ATOM 780 CG ASN A 50 111.156 96.609 -36.620 1.00 0.00 C ATOM 781 OD1 ASN A 50 110.718 96.760 -35.486 1.00 0.00 O ATOM 782 ND2 ASN A 50 111.767 95.499 -37.072 1.00 0.00 N ATOM 0 H ASN A 50 109.545 98.850 -39.268 1.00 0.00 H new ATOM 0 HA ASN A 50 109.324 98.363 -36.539 1.00 0.00 H new ATOM 0 HB2 ASN A 50 110.718 97.278 -38.627 1.00 0.00 H new ATOM 0 HB3 ASN A 50 112.029 98.149 -37.858 1.00 0.00 H new ATOM 0 HD21 ASN A 50 111.895 94.699 -36.452 1.00 0.00 H new ATOM 0 HD22 ASN A 50 112.103 95.458 -38.034 1.00 0.00 H new ATOM 789 N SER A 51 111.558 100.701 -37.257 1.00 0.00 N ATOM 790 CA SER A 51 112.316 101.775 -36.629 1.00 0.00 C ATOM 791 C SER A 51 111.409 102.801 -35.915 1.00 0.00 C ATOM 792 O SER A 51 111.708 103.240 -34.813 1.00 0.00 O ATOM 793 CB SER A 51 113.175 102.480 -37.690 1.00 0.00 C ATOM 794 OG SER A 51 113.689 103.748 -37.301 1.00 0.00 O ATOM 0 H SER A 51 111.631 100.634 -38.272 1.00 0.00 H new ATOM 0 HA SER A 51 112.952 101.328 -35.865 1.00 0.00 H new ATOM 0 HB2 SER A 51 114.011 101.830 -37.950 1.00 0.00 H new ATOM 0 HB3 SER A 51 112.578 102.608 -38.593 1.00 0.00 H new ATOM 0 HG SER A 51 114.223 104.123 -38.032 1.00 0.00 H new ATOM 800 N ASN A 52 110.305 103.163 -36.601 1.00 0.00 N ATOM 801 CA ASN A 52 109.487 104.297 -36.197 1.00 0.00 C ATOM 802 C ASN A 52 108.735 104.072 -34.867 1.00 0.00 C ATOM 803 O ASN A 52 108.566 104.978 -34.060 1.00 0.00 O ATOM 804 CB ASN A 52 108.451 104.532 -37.291 1.00 0.00 C ATOM 805 CG ASN A 52 109.123 104.923 -38.614 1.00 0.00 C ATOM 806 OD1 ASN A 52 108.569 104.329 -39.685 1.00 0.00 O flip ATOM 807 ND2 ASN A 52 110.074 105.694 -38.653 1.00 0.00 N flip ATOM 0 H ASN A 52 109.970 102.679 -37.434 1.00 0.00 H new ATOM 0 HA ASN A 52 110.153 105.147 -36.049 1.00 0.00 H new ATOM 0 HB2 ASN A 52 107.858 103.629 -37.434 1.00 0.00 H new ATOM 0 HB3 ASN A 52 107.764 105.320 -36.982 1.00 0.00 H new ATOM 0 HD21 ASN A 52 110.435 106.103 -37.791 1.00 0.00 H new ATOM 0 HD22 ASN A 52 110.505 105.927 -39.548 1.00 0.00 H new ATOM 814 N ILE A 53 108.250 102.832 -34.712 1.00 0.00 N ATOM 815 CA ILE A 53 107.634 102.460 -33.454 1.00 0.00 C ATOM 816 C ILE A 53 108.670 102.424 -32.312 1.00 0.00 C ATOM 817 O ILE A 53 108.459 102.976 -31.241 1.00 0.00 O ATOM 818 CB ILE A 53 106.981 101.088 -33.613 1.00 0.00 C ATOM 819 CG1 ILE A 53 105.982 101.045 -34.775 1.00 0.00 C ATOM 820 CG2 ILE A 53 106.287 100.663 -32.324 1.00 0.00 C ATOM 821 CD1 ILE A 53 105.701 99.611 -35.212 1.00 0.00 C ATOM 0 H ILE A 53 108.275 102.100 -35.422 1.00 0.00 H new ATOM 0 HA ILE A 53 106.883 103.206 -33.194 1.00 0.00 H new ATOM 0 HB ILE A 53 107.785 100.388 -33.840 1.00 0.00 H new ATOM 0 HG12 ILE A 53 105.051 101.525 -34.474 1.00 0.00 H new ATOM 0 HG13 ILE A 53 106.376 101.613 -35.617 1.00 0.00 H new ATOM 0 HG21 ILE A 53 105.830 99.683 -32.463 1.00 0.00 H new ATOM 0 HG22 ILE A 53 107.018 100.611 -31.517 1.00 0.00 H new ATOM 0 HG23 ILE A 53 105.516 101.390 -32.069 1.00 0.00 H new ATOM 0 HD11 ILE A 53 104.989 99.615 -36.037 1.00 0.00 H new ATOM 0 HD12 ILE A 53 106.629 99.141 -35.536 1.00 0.00 H new ATOM 0 HD13 ILE A 53 105.283 99.051 -34.375 1.00 0.00 H new ATOM 833 N GLY A 54 109.788 101.732 -32.603 1.00 0.00 N ATOM 834 CA GLY A 54 110.847 101.657 -31.613 1.00 0.00 C ATOM 835 C GLY A 54 111.398 103.030 -31.198 1.00 0.00 C ATOM 836 O GLY A 54 111.663 103.279 -30.031 1.00 0.00 O ATOM 0 H GLY A 54 109.966 101.241 -33.479 1.00 0.00 H new ATOM 0 HA2 GLY A 54 110.471 101.143 -30.728 1.00 0.00 H new ATOM 0 HA3 GLY A 54 111.662 101.052 -32.010 1.00 0.00 H new ATOM 840 N VAL A 55 111.574 103.891 -32.209 1.00 0.00 N ATOM 841 CA VAL A 55 112.162 105.192 -31.926 1.00 0.00 C ATOM 842 C VAL A 55 111.229 106.095 -31.083 1.00 0.00 C ATOM 843 O VAL A 55 111.686 106.855 -30.237 1.00 0.00 O ATOM 844 CB VAL A 55 112.569 105.857 -33.240 1.00 0.00 C ATOM 845 CG1 VAL A 55 111.351 106.377 -33.977 1.00 0.00 C ATOM 846 CG2 VAL A 55 113.595 106.964 -33.015 1.00 0.00 C ATOM 0 H VAL A 55 111.329 103.717 -33.184 1.00 0.00 H new ATOM 0 HA VAL A 55 113.051 105.042 -31.314 1.00 0.00 H new ATOM 0 HB VAL A 55 113.045 105.100 -33.863 1.00 0.00 H new ATOM 0 HG11 VAL A 55 111.663 106.847 -34.910 1.00 0.00 H new ATOM 0 HG12 VAL A 55 110.677 105.549 -34.196 1.00 0.00 H new ATOM 0 HG13 VAL A 55 110.836 107.110 -33.356 1.00 0.00 H new ATOM 0 HG21 VAL A 55 113.861 107.414 -33.972 1.00 0.00 H new ATOM 0 HG22 VAL A 55 113.171 107.726 -32.361 1.00 0.00 H new ATOM 0 HG23 VAL A 55 114.488 106.544 -32.551 1.00 0.00 H new ATOM 856 N LEU A 56 109.908 105.978 -31.350 1.00 0.00 N ATOM 857 CA LEU A 56 108.937 106.471 -30.380 1.00 0.00 C ATOM 858 C LEU A 56 109.167 105.844 -28.984 1.00 0.00 C ATOM 859 O LEU A 56 109.221 106.535 -27.976 1.00 0.00 O ATOM 860 CB LEU A 56 107.548 106.061 -30.885 1.00 0.00 C ATOM 861 CG LEU A 56 106.936 107.021 -31.911 1.00 0.00 C ATOM 862 CD1 LEU A 56 107.974 107.781 -32.737 1.00 0.00 C ATOM 863 CD2 LEU A 56 106.023 106.248 -32.854 1.00 0.00 C ATOM 0 H LEU A 56 109.514 105.563 -32.195 1.00 0.00 H new ATOM 0 HA LEU A 56 109.035 107.552 -30.281 1.00 0.00 H new ATOM 0 HB2 LEU A 56 107.616 105.068 -31.330 1.00 0.00 H new ATOM 0 HB3 LEU A 56 106.874 105.983 -30.032 1.00 0.00 H new ATOM 0 HG LEU A 56 106.378 107.763 -31.340 1.00 0.00 H new ATOM 0 HD11 LEU A 56 107.467 108.441 -33.441 1.00 0.00 H new ATOM 0 HD12 LEU A 56 108.604 108.374 -32.074 1.00 0.00 H new ATOM 0 HD13 LEU A 56 108.593 107.071 -33.286 1.00 0.00 H new ATOM 0 HD21 LEU A 56 105.589 106.933 -33.583 1.00 0.00 H new ATOM 0 HD22 LEU A 56 106.600 105.483 -33.374 1.00 0.00 H new ATOM 0 HD23 LEU A 56 105.226 105.774 -32.281 1.00 0.00 H new ATOM 875 N ILE A 57 109.332 104.509 -28.988 1.00 0.00 N ATOM 876 CA ILE A 57 109.446 103.827 -27.704 1.00 0.00 C ATOM 877 C ILE A 57 110.681 104.293 -26.902 1.00 0.00 C ATOM 878 O ILE A 57 110.614 104.503 -25.697 1.00 0.00 O ATOM 879 CB ILE A 57 109.512 102.317 -27.937 1.00 0.00 C ATOM 880 CG1 ILE A 57 108.275 101.822 -28.704 1.00 0.00 C ATOM 881 CG2 ILE A 57 109.755 101.563 -26.624 1.00 0.00 C ATOM 882 CD1 ILE A 57 107.330 100.933 -27.894 1.00 0.00 C ATOM 0 H ILE A 57 109.386 103.917 -29.817 1.00 0.00 H new ATOM 0 HA ILE A 57 108.565 104.078 -27.113 1.00 0.00 H new ATOM 0 HB ILE A 57 110.371 102.101 -28.572 1.00 0.00 H new ATOM 0 HG12 ILE A 57 107.718 102.687 -29.064 1.00 0.00 H new ATOM 0 HG13 ILE A 57 108.607 101.269 -29.583 1.00 0.00 H new ATOM 0 HG21 ILE A 57 109.797 100.492 -26.822 1.00 0.00 H new ATOM 0 HG22 ILE A 57 110.699 101.889 -26.187 1.00 0.00 H new ATOM 0 HG23 ILE A 57 108.942 101.772 -25.929 1.00 0.00 H new ATOM 0 HD11 ILE A 57 106.488 100.633 -28.518 1.00 0.00 H new ATOM 0 HD12 ILE A 57 107.865 100.046 -27.556 1.00 0.00 H new ATOM 0 HD13 ILE A 57 106.962 101.486 -27.029 1.00 0.00 H new ATOM 894 N LYS A 58 111.799 104.439 -27.639 1.00 0.00 N ATOM 895 CA LYS A 58 113.068 104.727 -26.989 1.00 0.00 C ATOM 896 C LYS A 58 113.129 106.168 -26.419 1.00 0.00 C ATOM 897 O LYS A 58 113.881 106.451 -25.495 1.00 0.00 O ATOM 898 CB LYS A 58 114.199 104.459 -27.987 1.00 0.00 C ATOM 899 CG LYS A 58 114.419 105.611 -28.962 1.00 0.00 C ATOM 900 CD LYS A 58 115.554 106.533 -28.513 1.00 0.00 C ATOM 901 CE LYS A 58 115.982 107.494 -29.624 1.00 0.00 C ATOM 902 NZ LYS A 58 117.136 108.301 -29.245 1.00 0.00 N ATOM 0 H LYS A 58 111.840 104.363 -28.655 1.00 0.00 H new ATOM 0 HA LYS A 58 113.180 104.070 -26.126 1.00 0.00 H new ATOM 0 HB2 LYS A 58 115.123 104.272 -27.439 1.00 0.00 H new ATOM 0 HB3 LYS A 58 113.973 103.553 -28.549 1.00 0.00 H new ATOM 0 HG2 LYS A 58 114.646 105.211 -29.950 1.00 0.00 H new ATOM 0 HG3 LYS A 58 113.499 106.188 -29.055 1.00 0.00 H new ATOM 0 HD2 LYS A 58 115.234 107.105 -27.642 1.00 0.00 H new ATOM 0 HD3 LYS A 58 116.409 105.932 -28.204 1.00 0.00 H new ATOM 0 HE2 LYS A 58 116.219 106.924 -30.522 1.00 0.00 H new ATOM 0 HE3 LYS A 58 115.149 108.151 -29.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 117.388 108.936 -30.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 116.903 108.866 -28.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 117.941 107.678 -29.032 1.00 0.00 H new ATOM 916 N LYS A 59 112.301 107.047 -27.023 1.00 0.00 N ATOM 917 CA LYS A 59 112.003 108.326 -26.410 1.00 0.00 C ATOM 918 C LYS A 59 111.049 108.152 -25.213 1.00 0.00 C ATOM 919 O LYS A 59 111.306 108.634 -24.116 1.00 0.00 O ATOM 920 CB LYS A 59 111.342 109.197 -27.476 1.00 0.00 C ATOM 921 CG LYS A 59 112.282 109.493 -28.644 1.00 0.00 C ATOM 922 CD LYS A 59 111.532 110.083 -29.832 1.00 0.00 C ATOM 923 CE LYS A 59 112.396 111.095 -30.584 1.00 0.00 C ATOM 924 NZ LYS A 59 112.217 112.455 -30.090 1.00 0.00 N ATOM 0 H LYS A 59 111.842 106.884 -27.919 1.00 0.00 H new ATOM 0 HA LYS A 59 112.919 108.786 -26.038 1.00 0.00 H new ATOM 0 HB2 LYS A 59 110.448 108.696 -27.849 1.00 0.00 H new ATOM 0 HB3 LYS A 59 111.018 110.135 -27.026 1.00 0.00 H new ATOM 0 HG2 LYS A 59 113.057 110.188 -28.321 1.00 0.00 H new ATOM 0 HG3 LYS A 59 112.784 108.575 -28.949 1.00 0.00 H new ATOM 0 HD2 LYS A 59 111.231 109.283 -30.509 1.00 0.00 H new ATOM 0 HD3 LYS A 59 110.619 110.567 -29.485 1.00 0.00 H new ATOM 0 HE2 LYS A 59 113.445 110.813 -30.491 1.00 0.00 H new ATOM 0 HE3 LYS A 59 112.149 111.061 -31.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 112.536 113.132 -30.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 111.211 112.619 -29.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 112.775 112.586 -29.222 1.00 0.00 H new ATOM 938 N GLY A 60 109.942 107.435 -25.494 1.00 0.00 N ATOM 939 CA GLY A 60 108.635 108.007 -25.285 1.00 0.00 C ATOM 940 C GLY A 60 108.354 109.014 -26.396 1.00 0.00 C ATOM 941 O GLY A 60 108.812 110.149 -26.368 1.00 0.00 O ATOM 0 H GLY A 60 109.944 106.482 -25.857 1.00 0.00 H new ATOM 0 HA2 GLY A 60 107.876 107.224 -25.285 1.00 0.00 H new ATOM 0 HA3 GLY A 60 108.589 108.496 -24.312 1.00 0.00 H new ATOM 945 N LEU A 61 107.578 108.510 -27.371 1.00 0.00 N ATOM 946 CA LEU A 61 106.195 108.194 -27.110 1.00 0.00 C ATOM 947 C LEU A 61 105.761 107.189 -28.171 1.00 0.00 C ATOM 948 O LEU A 61 105.391 107.527 -29.288 1.00 0.00 O ATOM 949 CB LEU A 61 105.391 109.481 -27.299 1.00 0.00 C ATOM 950 CG LEU A 61 105.778 110.308 -28.544 1.00 0.00 C ATOM 951 CD1 LEU A 61 104.635 111.220 -28.954 1.00 0.00 C ATOM 952 CD2 LEU A 61 107.037 111.142 -28.324 1.00 0.00 C ATOM 0 H LEU A 61 107.892 108.322 -28.323 1.00 0.00 H new ATOM 0 HA LEU A 61 106.046 107.792 -26.108 1.00 0.00 H new ATOM 0 HB2 LEU A 61 104.333 109.226 -27.364 1.00 0.00 H new ATOM 0 HB3 LEU A 61 105.515 110.104 -26.413 1.00 0.00 H new ATOM 0 HG LEU A 61 105.987 109.593 -29.340 1.00 0.00 H new ATOM 0 HD11 LEU A 61 104.926 111.795 -29.833 1.00 0.00 H new ATOM 0 HD12 LEU A 61 103.756 110.619 -29.188 1.00 0.00 H new ATOM 0 HD13 LEU A 61 104.402 111.901 -28.136 1.00 0.00 H new ATOM 0 HD21 LEU A 61 107.264 111.704 -29.230 1.00 0.00 H new ATOM 0 HD22 LEU A 61 106.875 111.835 -27.499 1.00 0.00 H new ATOM 0 HD23 LEU A 61 107.873 110.484 -28.086 1.00 0.00 H new ATOM 964 N VAL A 62 105.807 105.924 -27.740 1.00 0.00 N ATOM 965 CA VAL A 62 104.687 105.100 -27.364 1.00 0.00 C ATOM 966 C VAL A 62 105.158 104.157 -26.249 1.00 0.00 C ATOM 967 O VAL A 62 106.323 103.784 -26.182 1.00 0.00 O ATOM 968 CB VAL A 62 104.230 104.320 -28.592 1.00 0.00 C ATOM 969 CG1 VAL A 62 105.339 103.412 -29.110 1.00 0.00 C ATOM 970 CG2 VAL A 62 102.963 103.517 -28.314 1.00 0.00 C ATOM 0 H VAL A 62 106.694 105.429 -27.643 1.00 0.00 H new ATOM 0 HA VAL A 62 103.847 105.693 -27.001 1.00 0.00 H new ATOM 0 HB VAL A 62 103.995 105.050 -29.366 1.00 0.00 H new ATOM 0 HG11 VAL A 62 104.985 102.868 -29.986 1.00 0.00 H new ATOM 0 HG12 VAL A 62 106.205 104.015 -29.383 1.00 0.00 H new ATOM 0 HG13 VAL A 62 105.621 102.703 -28.332 1.00 0.00 H new ATOM 0 HG21 VAL A 62 102.670 102.976 -29.214 1.00 0.00 H new ATOM 0 HG22 VAL A 62 103.152 102.807 -27.509 1.00 0.00 H new ATOM 0 HG23 VAL A 62 102.160 104.194 -28.021 1.00 0.00 H new ATOM 980 N GLU A 63 104.196 103.792 -25.385 1.00 0.00 N ATOM 981 CA GLU A 63 104.465 102.747 -24.404 1.00 0.00 C ATOM 982 C GLU A 63 103.789 101.433 -24.830 1.00 0.00 C ATOM 983 O GLU A 63 102.590 101.367 -25.064 1.00 0.00 O ATOM 984 CB GLU A 63 103.932 103.171 -23.039 1.00 0.00 C ATOM 985 CG GLU A 63 104.824 104.224 -22.381 1.00 0.00 C ATOM 986 CD GLU A 63 104.160 104.744 -21.105 1.00 0.00 C ATOM 987 OE1 GLU A 63 103.509 103.957 -20.419 1.00 0.00 O ATOM 988 OE2 GLU A 63 104.302 105.931 -20.811 1.00 0.00 O ATOM 0 H GLU A 63 103.259 104.193 -25.350 1.00 0.00 H new ATOM 0 HA GLU A 63 105.542 102.592 -24.343 1.00 0.00 H new ATOM 0 HB2 GLU A 63 102.923 103.568 -23.151 1.00 0.00 H new ATOM 0 HB3 GLU A 63 103.861 102.298 -22.390 1.00 0.00 H new ATOM 0 HG2 GLU A 63 105.797 103.793 -22.145 1.00 0.00 H new ATOM 0 HG3 GLU A 63 104.999 105.048 -23.072 1.00 0.00 H new ATOM 995 N LYS A 64 104.636 100.391 -24.899 1.00 0.00 N ATOM 996 CA LYS A 64 104.133 99.091 -25.280 1.00 0.00 C ATOM 997 C LYS A 64 103.482 98.411 -24.072 1.00 0.00 C ATOM 998 O LYS A 64 104.112 98.150 -23.054 1.00 0.00 O ATOM 999 CB LYS A 64 105.291 98.253 -25.812 1.00 0.00 C ATOM 1000 CG LYS A 64 104.863 96.818 -26.096 1.00 0.00 C ATOM 1001 CD LYS A 64 105.292 95.862 -24.983 1.00 0.00 C ATOM 1002 CE LYS A 64 105.332 94.409 -25.458 1.00 0.00 C ATOM 1003 NZ LYS A 64 106.249 94.213 -26.574 1.00 0.00 N ATOM 0 H LYS A 64 105.636 100.434 -24.701 1.00 0.00 H new ATOM 0 HA LYS A 64 103.378 99.195 -26.059 1.00 0.00 H new ATOM 0 HB2 LYS A 64 105.678 98.705 -26.725 1.00 0.00 H new ATOM 0 HB3 LYS A 64 106.104 98.254 -25.086 1.00 0.00 H new ATOM 0 HG2 LYS A 64 103.780 96.779 -26.210 1.00 0.00 H new ATOM 0 HG3 LYS A 64 105.295 96.491 -27.042 1.00 0.00 H new ATOM 0 HD2 LYS A 64 106.277 96.151 -24.617 1.00 0.00 H new ATOM 0 HD3 LYS A 64 104.602 95.950 -24.144 1.00 0.00 H new ATOM 0 HE2 LYS A 64 105.631 93.767 -24.629 1.00 0.00 H new ATOM 0 HE3 LYS A 64 104.330 94.100 -25.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 106.569 93.224 -26.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 105.763 94.435 -27.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 107.071 94.841 -26.462 1.00 0.00 H new ATOM 1017 N SER A 65 102.176 98.147 -24.269 1.00 0.00 N ATOM 1018 CA SER A 65 101.389 97.478 -23.243 1.00 0.00 C ATOM 1019 C SER A 65 100.958 96.102 -23.761 1.00 0.00 C ATOM 1020 O SER A 65 100.079 95.988 -24.605 1.00 0.00 O ATOM 1021 CB SER A 65 100.118 98.306 -22.976 1.00 0.00 C ATOM 1022 OG SER A 65 99.155 97.700 -22.121 1.00 0.00 O ATOM 0 H SER A 65 101.661 98.386 -25.116 1.00 0.00 H new ATOM 0 HA SER A 65 101.981 97.374 -22.334 1.00 0.00 H new ATOM 0 HB2 SER A 65 100.413 99.261 -22.541 1.00 0.00 H new ATOM 0 HB3 SER A 65 99.642 98.525 -23.932 1.00 0.00 H new ATOM 0 HG SER A 65 98.390 97.396 -22.653 1.00 0.00 H new ATOM 1028 N GLY A 66 101.616 95.069 -23.199 1.00 0.00 N ATOM 1029 CA GLY A 66 102.066 93.991 -24.063 1.00 0.00 C ATOM 1030 C GLY A 66 101.012 92.886 -24.138 1.00 0.00 C ATOM 1031 O GLY A 66 100.930 92.013 -23.283 1.00 0.00 O ATOM 0 H GLY A 66 101.833 94.969 -22.207 1.00 0.00 H new ATOM 0 HA2 GLY A 66 102.267 94.378 -25.062 1.00 0.00 H new ATOM 0 HA3 GLY A 66 103.003 93.582 -23.685 1.00 0.00 H new ATOM 1035 N ASP A 67 100.217 92.985 -25.219 1.00 0.00 N ATOM 1036 CA ASP A 67 100.749 92.763 -26.558 1.00 0.00 C ATOM 1037 C ASP A 67 101.117 94.084 -27.264 1.00 0.00 C ATOM 1038 O ASP A 67 102.162 94.195 -27.893 1.00 0.00 O ATOM 1039 CB ASP A 67 99.718 92.002 -27.392 1.00 0.00 C ATOM 1040 CG ASP A 67 99.523 90.597 -26.819 1.00 0.00 C ATOM 1041 OD1 ASP A 67 100.373 89.742 -27.061 1.00 0.00 O ATOM 1042 OD2 ASP A 67 98.523 90.375 -26.137 1.00 0.00 O ATOM 0 H ASP A 67 99.223 93.213 -25.185 1.00 0.00 H new ATOM 0 HA ASP A 67 101.664 92.179 -26.461 1.00 0.00 H new ATOM 0 HB2 ASP A 67 98.770 92.539 -27.393 1.00 0.00 H new ATOM 0 HB3 ASP A 67 100.050 91.939 -28.428 1.00 0.00 H new ATOM 1047 N GLY A 68 100.206 95.072 -27.124 1.00 0.00 N ATOM 1048 CA GLY A 68 100.004 96.060 -28.161 1.00 0.00 C ATOM 1049 C GLY A 68 100.477 97.424 -27.674 1.00 0.00 C ATOM 1050 O GLY A 68 100.613 97.679 -26.485 1.00 0.00 O ATOM 0 H GLY A 68 99.612 95.191 -26.303 1.00 0.00 H new ATOM 0 HA2 GLY A 68 100.551 95.775 -29.059 1.00 0.00 H new ATOM 0 HA3 GLY A 68 98.949 96.106 -28.432 1.00 0.00 H new ATOM 1054 N LEU A 69 100.718 98.278 -28.685 1.00 0.00 N ATOM 1055 CA LEU A 69 101.465 99.492 -28.438 1.00 0.00 C ATOM 1056 C LEU A 69 100.459 100.618 -28.231 1.00 0.00 C ATOM 1057 O LEU A 69 99.496 100.750 -28.976 1.00 0.00 O ATOM 1058 CB LEU A 69 102.379 99.764 -29.638 1.00 0.00 C ATOM 1059 CG LEU A 69 103.310 98.582 -29.952 1.00 0.00 C ATOM 1060 CD1 LEU A 69 104.581 99.065 -30.646 1.00 0.00 C ATOM 1061 CD2 LEU A 69 103.684 97.742 -28.729 1.00 0.00 C ATOM 0 H LEU A 69 100.411 98.144 -29.648 1.00 0.00 H new ATOM 0 HA LEU A 69 102.094 99.408 -27.552 1.00 0.00 H new ATOM 0 HB2 LEU A 69 101.768 99.983 -30.513 1.00 0.00 H new ATOM 0 HB3 LEU A 69 102.979 100.652 -29.439 1.00 0.00 H new ATOM 0 HG LEU A 69 102.740 97.933 -30.616 1.00 0.00 H new ATOM 0 HD11 LEU A 69 105.226 98.212 -30.859 1.00 0.00 H new ATOM 0 HD12 LEU A 69 104.319 99.564 -31.579 1.00 0.00 H new ATOM 0 HD13 LEU A 69 105.107 99.764 -29.996 1.00 0.00 H new ATOM 0 HD21 LEU A 69 104.342 96.929 -29.034 1.00 0.00 H new ATOM 0 HD22 LEU A 69 104.196 98.369 -28.000 1.00 0.00 H new ATOM 0 HD23 LEU A 69 102.780 97.329 -28.281 1.00 0.00 H new ATOM 1073 N ILE A 70 100.723 101.410 -27.172 1.00 0.00 N ATOM 1074 CA ILE A 70 99.787 102.481 -26.879 1.00 0.00 C ATOM 1075 C ILE A 70 100.545 103.649 -26.273 1.00 0.00 C ATOM 1076 O ILE A 70 101.543 103.486 -25.585 1.00 0.00 O ATOM 1077 CB ILE A 70 98.747 102.027 -25.857 1.00 0.00 C ATOM 1078 CG1 ILE A 70 99.396 101.448 -24.606 1.00 0.00 C ATOM 1079 CG2 ILE A 70 97.786 101.013 -26.453 1.00 0.00 C ATOM 1080 CD1 ILE A 70 98.392 101.364 -23.457 1.00 0.00 C ATOM 0 H ILE A 70 101.526 101.329 -26.549 1.00 0.00 H new ATOM 0 HA ILE A 70 99.291 102.766 -27.807 1.00 0.00 H new ATOM 0 HB ILE A 70 98.185 102.916 -25.572 1.00 0.00 H new ATOM 0 HG12 ILE A 70 99.790 100.455 -24.823 1.00 0.00 H new ATOM 0 HG13 ILE A 70 100.242 102.069 -24.310 1.00 0.00 H new ATOM 0 HG21 ILE A 70 97.060 100.712 -25.698 1.00 0.00 H new ATOM 0 HG22 ILE A 70 97.265 101.460 -27.300 1.00 0.00 H new ATOM 0 HG23 ILE A 70 98.343 100.138 -26.790 1.00 0.00 H new ATOM 0 HD11 ILE A 70 98.881 100.947 -22.576 1.00 0.00 H new ATOM 0 HD12 ILE A 70 98.018 102.362 -23.227 1.00 0.00 H new ATOM 0 HD13 ILE A 70 97.560 100.723 -23.747 1.00 0.00 H new ATOM 1092 N ILE A 71 99.998 104.839 -26.553 1.00 0.00 N ATOM 1093 CA ILE A 71 100.855 106.003 -26.503 1.00 0.00 C ATOM 1094 C ILE A 71 100.743 106.669 -25.134 1.00 0.00 C ATOM 1095 O ILE A 71 99.731 106.578 -24.449 1.00 0.00 O ATOM 1096 CB ILE A 71 100.456 106.958 -27.618 1.00 0.00 C ATOM 1097 CG1 ILE A 71 99.017 107.443 -27.411 1.00 0.00 C ATOM 1098 CG2 ILE A 71 100.672 106.291 -28.979 1.00 0.00 C ATOM 1099 CD1 ILE A 71 98.545 108.436 -28.473 1.00 0.00 C ATOM 0 H ILE A 71 99.023 105.007 -26.801 1.00 0.00 H new ATOM 0 HA ILE A 71 101.895 105.712 -26.648 1.00 0.00 H new ATOM 0 HB ILE A 71 101.091 107.844 -27.593 1.00 0.00 H new ATOM 0 HG12 ILE A 71 98.349 106.582 -27.409 1.00 0.00 H new ATOM 0 HG13 ILE A 71 98.938 107.910 -26.429 1.00 0.00 H new ATOM 0 HG21 ILE A 71 100.384 106.981 -29.772 1.00 0.00 H new ATOM 0 HG22 ILE A 71 101.723 106.027 -29.092 1.00 0.00 H new ATOM 0 HG23 ILE A 71 100.062 105.390 -29.043 1.00 0.00 H new ATOM 0 HD11 ILE A 71 97.518 108.735 -28.261 1.00 0.00 H new ATOM 0 HD12 ILE A 71 99.189 109.316 -28.460 1.00 0.00 H new ATOM 0 HD13 ILE A 71 98.591 107.967 -29.456 1.00 0.00 H new ATOM 1111 N THR A 72 101.855 107.344 -24.789 1.00 0.00 N ATOM 1112 CA THR A 72 101.860 108.085 -23.536 1.00 0.00 C ATOM 1113 C THR A 72 101.090 109.393 -23.729 1.00 0.00 C ATOM 1114 O THR A 72 100.734 109.787 -24.834 1.00 0.00 O ATOM 1115 CB THR A 72 103.291 108.342 -22.994 1.00 0.00 C ATOM 1116 OG1 THR A 72 103.488 109.656 -22.528 1.00 0.00 O ATOM 1117 CG2 THR A 72 104.434 108.011 -23.964 1.00 0.00 C ATOM 0 H THR A 72 102.716 107.387 -25.335 1.00 0.00 H new ATOM 0 HA THR A 72 101.366 107.477 -22.778 1.00 0.00 H new ATOM 0 HB THR A 72 103.339 107.637 -22.164 1.00 0.00 H new ATOM 0 HG1 THR A 72 104.406 109.752 -22.199 1.00 0.00 H new ATOM 0 HG21 THR A 72 105.390 108.227 -23.487 1.00 0.00 H new ATOM 0 HG22 THR A 72 104.391 106.955 -24.230 1.00 0.00 H new ATOM 0 HG23 THR A 72 104.333 108.616 -24.865 1.00 0.00 H new ATOM 1125 N GLY A 73 100.869 110.034 -22.569 1.00 0.00 N ATOM 1126 CA GLY A 73 100.314 111.379 -22.615 1.00 0.00 C ATOM 1127 C GLY A 73 101.105 112.347 -23.526 1.00 0.00 C ATOM 1128 O GLY A 73 100.546 113.310 -24.035 1.00 0.00 O ATOM 0 H GLY A 73 101.057 109.660 -21.639 1.00 0.00 H new ATOM 0 HA2 GLY A 73 99.283 111.325 -22.965 1.00 0.00 H new ATOM 0 HA3 GLY A 73 100.287 111.786 -21.604 1.00 0.00 H new ATOM 1132 N GLU A 74 102.417 112.062 -23.711 1.00 0.00 N ATOM 1133 CA GLU A 74 103.176 112.938 -24.597 1.00 0.00 C ATOM 1134 C GLU A 74 102.572 112.959 -26.010 1.00 0.00 C ATOM 1135 O GLU A 74 102.273 114.014 -26.553 1.00 0.00 O ATOM 1136 CB GLU A 74 104.651 112.526 -24.680 1.00 0.00 C ATOM 1137 CG GLU A 74 105.466 112.688 -23.385 1.00 0.00 C ATOM 1138 CD GLU A 74 104.656 113.175 -22.174 1.00 0.00 C ATOM 1139 OE1 GLU A 74 104.388 114.373 -22.092 1.00 0.00 O ATOM 1140 OE2 GLU A 74 104.303 112.351 -21.332 1.00 0.00 O ATOM 0 H GLU A 74 102.930 111.289 -23.288 1.00 0.00 H new ATOM 0 HA GLU A 74 103.119 113.939 -24.169 1.00 0.00 H new ATOM 0 HB2 GLU A 74 104.700 111.482 -24.989 1.00 0.00 H new ATOM 0 HB3 GLU A 74 105.129 113.114 -25.464 1.00 0.00 H new ATOM 0 HG2 GLU A 74 105.924 111.730 -23.138 1.00 0.00 H new ATOM 0 HG3 GLU A 74 106.278 113.391 -23.568 1.00 0.00 H new ATOM 1147 N ALA A 75 102.384 111.736 -26.551 1.00 0.00 N ATOM 1148 CA ALA A 75 101.729 111.625 -27.848 1.00 0.00 C ATOM 1149 C ALA A 75 100.336 112.271 -27.827 1.00 0.00 C ATOM 1150 O ALA A 75 100.002 113.065 -28.692 1.00 0.00 O ATOM 1151 CB ALA A 75 101.589 110.149 -28.229 1.00 0.00 C ATOM 0 H ALA A 75 102.666 110.854 -26.123 1.00 0.00 H new ATOM 0 HA ALA A 75 102.343 112.148 -28.581 1.00 0.00 H new ATOM 0 HB1 ALA A 75 101.099 110.069 -29.199 1.00 0.00 H new ATOM 0 HB2 ALA A 75 102.577 109.692 -28.283 1.00 0.00 H new ATOM 0 HB3 ALA A 75 100.991 109.634 -27.477 1.00 0.00 H new ATOM 1157 N GLN A 76 99.563 111.918 -26.787 1.00 0.00 N ATOM 1158 CA GLN A 76 98.173 112.351 -26.766 1.00 0.00 C ATOM 1159 C GLN A 76 98.018 113.884 -26.929 1.00 0.00 C ATOM 1160 O GLN A 76 97.076 114.357 -27.553 1.00 0.00 O ATOM 1161 CB GLN A 76 97.565 111.908 -25.436 1.00 0.00 C ATOM 1162 CG GLN A 76 97.142 110.439 -25.461 1.00 0.00 C ATOM 1163 CD GLN A 76 96.434 110.081 -24.153 1.00 0.00 C ATOM 1164 OE1 GLN A 76 97.287 109.749 -23.166 1.00 0.00 O flip ATOM 1165 NE2 GLN A 76 95.214 110.103 -24.050 1.00 0.00 N flip ATOM 0 H GLN A 76 99.865 111.360 -25.988 1.00 0.00 H new ATOM 0 HA GLN A 76 97.658 111.897 -27.613 1.00 0.00 H new ATOM 0 HB2 GLN A 76 98.290 112.063 -24.637 1.00 0.00 H new ATOM 0 HB3 GLN A 76 96.700 112.531 -25.207 1.00 0.00 H new ATOM 0 HG2 GLN A 76 96.478 110.257 -26.306 1.00 0.00 H new ATOM 0 HG3 GLN A 76 98.016 109.802 -25.598 1.00 0.00 H new ATOM 0 HE21 GLN A 76 94.639 110.367 -24.850 1.00 0.00 H new ATOM 0 HE22 GLN A 76 94.772 109.857 -23.164 1.00 0.00 H new ATOM 1174 N ASP A 77 98.979 114.625 -26.341 1.00 0.00 N ATOM 1175 CA ASP A 77 99.003 116.063 -26.546 1.00 0.00 C ATOM 1176 C ASP A 77 99.332 116.417 -28.009 1.00 0.00 C ATOM 1177 O ASP A 77 98.694 117.271 -28.614 1.00 0.00 O ATOM 1178 CB ASP A 77 100.049 116.683 -25.619 1.00 0.00 C ATOM 1179 CG ASP A 77 99.715 118.154 -25.361 1.00 0.00 C ATOM 1180 OD1 ASP A 77 98.553 118.454 -25.093 1.00 0.00 O ATOM 1181 OD2 ASP A 77 100.622 118.983 -25.432 1.00 0.00 O ATOM 0 H ASP A 77 99.719 114.256 -25.743 1.00 0.00 H new ATOM 0 HA ASP A 77 98.014 116.461 -26.319 1.00 0.00 H new ATOM 0 HB2 ASP A 77 100.079 116.138 -24.676 1.00 0.00 H new ATOM 0 HB3 ASP A 77 101.039 116.600 -26.067 1.00 0.00 H new ATOM 1186 N ILE A 78 100.358 115.715 -28.535 1.00 0.00 N ATOM 1187 CA ILE A 78 100.808 116.017 -29.880 1.00 0.00 C ATOM 1188 C ILE A 78 99.701 115.750 -30.919 1.00 0.00 C ATOM 1189 O ILE A 78 99.441 116.568 -31.791 1.00 0.00 O ATOM 1190 CB ILE A 78 102.033 115.140 -30.173 1.00 0.00 C ATOM 1191 CG1 ILE A 78 103.222 115.447 -29.253 1.00 0.00 C ATOM 1192 CG2 ILE A 78 102.457 115.218 -31.641 1.00 0.00 C ATOM 1193 CD1 ILE A 78 103.235 116.873 -28.692 1.00 0.00 C ATOM 0 H ILE A 78 100.863 114.967 -28.060 1.00 0.00 H new ATOM 0 HA ILE A 78 101.064 117.074 -29.949 1.00 0.00 H new ATOM 0 HB ILE A 78 101.718 114.118 -29.963 1.00 0.00 H new ATOM 0 HG12 ILE A 78 103.214 114.742 -28.421 1.00 0.00 H new ATOM 0 HG13 ILE A 78 104.146 115.278 -29.805 1.00 0.00 H new ATOM 0 HG21 ILE A 78 103.327 114.582 -31.803 1.00 0.00 H new ATOM 0 HG22 ILE A 78 101.637 114.880 -32.275 1.00 0.00 H new ATOM 0 HG23 ILE A 78 102.709 116.248 -31.893 1.00 0.00 H new ATOM 0 HD11 ILE A 78 104.108 117.005 -28.053 1.00 0.00 H new ATOM 0 HD12 ILE A 78 103.276 117.587 -29.514 1.00 0.00 H new ATOM 0 HD13 ILE A 78 102.330 117.043 -28.109 1.00 0.00 H new ATOM 1205 N ILE A 79 99.079 114.564 -30.779 1.00 0.00 N ATOM 1206 CA ILE A 79 98.098 114.137 -31.759 1.00 0.00 C ATOM 1207 C ILE A 79 96.865 115.049 -31.771 1.00 0.00 C ATOM 1208 O ILE A 79 96.386 115.452 -32.822 1.00 0.00 O ATOM 1209 CB ILE A 79 97.618 112.729 -31.402 1.00 0.00 C ATOM 1210 CG1 ILE A 79 98.752 111.729 -31.159 1.00 0.00 C ATOM 1211 CG2 ILE A 79 96.636 112.210 -32.451 1.00 0.00 C ATOM 1212 CD1 ILE A 79 100.025 112.034 -31.946 1.00 0.00 C ATOM 0 H ILE A 79 99.241 113.909 -30.014 1.00 0.00 H new ATOM 0 HA ILE A 79 98.577 114.171 -32.737 1.00 0.00 H new ATOM 0 HB ILE A 79 97.101 112.820 -30.446 1.00 0.00 H new ATOM 0 HG12 ILE A 79 98.989 111.715 -30.095 1.00 0.00 H new ATOM 0 HG13 ILE A 79 98.405 110.730 -31.422 1.00 0.00 H new ATOM 0 HG21 ILE A 79 96.307 111.207 -32.177 1.00 0.00 H new ATOM 0 HG22 ILE A 79 95.773 112.874 -32.501 1.00 0.00 H new ATOM 0 HG23 ILE A 79 97.126 112.178 -33.424 1.00 0.00 H new ATOM 0 HD11 ILE A 79 100.781 111.282 -31.721 1.00 0.00 H new ATOM 0 HD12 ILE A 79 99.805 112.019 -33.014 1.00 0.00 H new ATOM 0 HD13 ILE A 79 100.398 113.019 -31.666 1.00 0.00 H new ATOM 1224 N SER A 80 96.372 115.343 -30.551 1.00 0.00 N ATOM 1225 CA SER A 80 95.176 116.167 -30.482 1.00 0.00 C ATOM 1226 C SER A 80 95.384 117.537 -31.153 1.00 0.00 C ATOM 1227 O SER A 80 94.562 117.990 -31.941 1.00 0.00 O ATOM 1228 CB SER A 80 94.777 116.347 -29.017 1.00 0.00 C ATOM 1229 OG SER A 80 94.156 115.119 -28.590 1.00 0.00 O ATOM 0 H SER A 80 96.762 115.039 -29.659 1.00 0.00 H new ATOM 0 HA SER A 80 94.378 115.662 -31.026 1.00 0.00 H new ATOM 0 HB2 SER A 80 95.651 116.569 -28.405 1.00 0.00 H new ATOM 0 HB3 SER A 80 94.089 117.185 -28.906 1.00 0.00 H new ATOM 0 HG SER A 80 94.833 114.530 -28.196 1.00 0.00 H new ATOM 1235 N ASN A 81 96.525 118.161 -30.805 1.00 0.00 N ATOM 1236 CA ASN A 81 96.788 119.451 -31.424 1.00 0.00 C ATOM 1237 C ASN A 81 97.075 119.306 -32.932 1.00 0.00 C ATOM 1238 O ASN A 81 96.551 120.052 -33.749 1.00 0.00 O ATOM 1239 CB ASN A 81 97.983 120.123 -30.737 1.00 0.00 C ATOM 1240 CG ASN A 81 97.772 121.640 -30.701 1.00 0.00 C ATOM 1241 OD1 ASN A 81 96.654 122.138 -30.756 1.00 0.00 O ATOM 1242 ND2 ASN A 81 98.921 122.332 -30.607 1.00 0.00 N ATOM 0 H ASN A 81 97.226 117.818 -30.148 1.00 0.00 H new ATOM 0 HA ASN A 81 95.897 120.067 -31.305 1.00 0.00 H new ATOM 0 HB2 ASN A 81 98.096 119.738 -29.724 1.00 0.00 H new ATOM 0 HB3 ASN A 81 98.903 119.887 -31.272 1.00 0.00 H new ATOM 0 HD21 ASN A 81 98.901 123.351 -30.576 1.00 0.00 H new ATOM 0 HD22 ASN A 81 99.812 121.838 -30.566 1.00 0.00 H new ATOM 1249 N ALA A 82 97.925 118.311 -33.254 1.00 0.00 N ATOM 1250 CA ALA A 82 98.394 118.233 -34.628 1.00 0.00 C ATOM 1251 C ALA A 82 97.259 117.897 -35.609 1.00 0.00 C ATOM 1252 O ALA A 82 97.147 118.500 -36.667 1.00 0.00 O ATOM 1253 CB ALA A 82 99.510 117.204 -34.752 1.00 0.00 C ATOM 0 H ALA A 82 98.277 117.596 -32.617 1.00 0.00 H new ATOM 0 HA ALA A 82 98.779 119.218 -34.892 1.00 0.00 H new ATOM 0 HB1 ALA A 82 99.849 117.158 -35.787 1.00 0.00 H new ATOM 0 HB2 ALA A 82 100.342 117.491 -34.109 1.00 0.00 H new ATOM 0 HB3 ALA A 82 99.138 116.225 -34.449 1.00 0.00 H new