USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=16 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 110:sc= -0.861 USER MOD Single : A 12 ASN : amide:sc= 0.23 X(o=0.23,f=0) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -133:sc= -0.0764 (180deg=-1.64!) USER MOD Single : A 19 THR OG1 : rot -151:sc= -0.177 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 53:sc= -0.346! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -84:sc= -2.26! USER MOD Single : A 46 ASN : amide:sc= -0.96 X(o=-0.96,f=-0.78) USER MOD Single : A 50 ASN : amide:sc= 0.795 K(o=0.8,f=-6.8!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN :FLIP amide:sc= -4.19! C(o=-9.1!,f=-4.2!) USER MOD Single : A 58 LYS NZ :NH3+ 151:sc= -4.54! (180deg=-6.74!) USER MOD Single : A 59 LYS NZ :NH3+ 142:sc= -0.406 (180deg=-3.09!) USER MOD Single : A 64 LYS NZ :NH3+ 154:sc= -0.156 (180deg=-0.769) USER MOD Single : A 65 SER OG : rot -107:sc= 1.3 USER MOD Single : A 72 THR OG1 : rot -90:sc= -1.77 USER MOD Single : A 76 GLN : amide:sc= -0.0906 X(o=-0.091,f=-0.41) USER MOD Single : A 80 SER OG : rot 98:sc= 1.11 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 53 N VAL A 4 100.863 113.874 -41.597 1.00 0.00 N ATOM 54 CA VAL A 4 102.038 113.557 -40.802 1.00 0.00 C ATOM 55 C VAL A 4 102.939 114.785 -40.571 1.00 0.00 C ATOM 56 O VAL A 4 103.501 114.960 -39.500 1.00 0.00 O ATOM 57 CB VAL A 4 102.826 112.441 -41.473 1.00 0.00 C ATOM 58 CG1 VAL A 4 101.965 111.185 -41.637 1.00 0.00 C ATOM 59 CG2 VAL A 4 103.414 112.907 -42.800 1.00 0.00 C ATOM 0 HA VAL A 4 101.694 113.227 -39.822 1.00 0.00 H new ATOM 0 HB VAL A 4 103.663 112.177 -40.826 1.00 0.00 H new ATOM 0 HG11 VAL A 4 102.551 110.402 -42.119 1.00 0.00 H new ATOM 0 HG12 VAL A 4 101.635 110.840 -40.657 1.00 0.00 H new ATOM 0 HG13 VAL A 4 101.095 111.418 -42.252 1.00 0.00 H new ATOM 0 HG21 VAL A 4 103.972 112.090 -43.258 1.00 0.00 H new ATOM 0 HG22 VAL A 4 102.609 113.215 -43.467 1.00 0.00 H new ATOM 0 HG23 VAL A 4 104.083 113.750 -42.626 1.00 0.00 H new ATOM 69 N THR A 5 103.057 115.621 -41.616 1.00 0.00 N ATOM 70 CA THR A 5 103.885 116.807 -41.476 1.00 0.00 C ATOM 71 C THR A 5 103.406 117.715 -40.315 1.00 0.00 C ATOM 72 O THR A 5 104.215 118.282 -39.592 1.00 0.00 O ATOM 73 CB THR A 5 103.786 117.594 -42.792 1.00 0.00 C ATOM 74 OG1 THR A 5 104.165 116.816 -43.911 1.00 0.00 O ATOM 75 CG2 THR A 5 104.498 118.950 -42.722 1.00 0.00 C ATOM 0 H THR A 5 102.608 115.499 -42.524 1.00 0.00 H new ATOM 0 HA THR A 5 104.908 116.501 -41.255 1.00 0.00 H new ATOM 0 HB THR A 5 102.732 117.829 -42.939 1.00 0.00 H new ATOM 0 HG1 THR A 5 104.085 117.355 -44.726 1.00 0.00 H new ATOM 0 HG21 THR A 5 104.397 119.464 -43.678 1.00 0.00 H new ATOM 0 HG22 THR A 5 104.050 119.556 -41.935 1.00 0.00 H new ATOM 0 HG23 THR A 5 105.555 118.795 -42.503 1.00 0.00 H new ATOM 83 N TYR A 6 102.069 117.821 -40.173 1.00 0.00 N ATOM 84 CA TYR A 6 101.539 118.475 -38.984 1.00 0.00 C ATOM 85 C TYR A 6 101.901 117.728 -37.689 1.00 0.00 C ATOM 86 O TYR A 6 102.157 118.350 -36.667 1.00 0.00 O ATOM 87 CB TYR A 6 100.016 118.649 -39.083 1.00 0.00 C ATOM 88 CG TYR A 6 99.616 119.696 -40.094 1.00 0.00 C ATOM 89 CD1 TYR A 6 100.211 120.985 -40.068 1.00 0.00 C ATOM 90 CD2 TYR A 6 98.658 119.410 -41.101 1.00 0.00 C ATOM 91 CE1 TYR A 6 99.922 121.939 -41.070 1.00 0.00 C ATOM 92 CE2 TYR A 6 98.355 120.364 -42.103 1.00 0.00 C ATOM 93 CZ TYR A 6 99.014 121.618 -42.111 1.00 0.00 C ATOM 94 OH TYR A 6 98.797 122.501 -43.152 1.00 0.00 O ATOM 0 H TYR A 6 101.375 117.478 -40.837 1.00 0.00 H new ATOM 0 HA TYR A 6 102.008 119.458 -38.938 1.00 0.00 H new ATOM 0 HB2 TYR A 6 99.562 117.696 -39.354 1.00 0.00 H new ATOM 0 HB3 TYR A 6 99.621 118.924 -38.105 1.00 0.00 H new ATOM 0 HD1 TYR A 6 100.894 121.240 -39.271 1.00 0.00 H new ATOM 0 HD2 TYR A 6 98.154 118.455 -41.103 1.00 0.00 H new ATOM 0 HE1 TYR A 6 100.392 122.911 -41.043 1.00 0.00 H new ATOM 0 HE2 TYR A 6 97.621 120.135 -42.862 1.00 0.00 H new ATOM 0 HH TYR A 6 98.145 122.118 -43.775 1.00 0.00 H new ATOM 104 N ILE A 7 101.890 116.382 -37.759 1.00 0.00 N ATOM 105 CA ILE A 7 102.304 115.619 -36.588 1.00 0.00 C ATOM 106 C ILE A 7 103.748 115.961 -36.168 1.00 0.00 C ATOM 107 O ILE A 7 104.038 116.176 -34.997 1.00 0.00 O ATOM 108 CB ILE A 7 102.178 114.122 -36.878 1.00 0.00 C ATOM 109 CG1 ILE A 7 100.777 113.783 -37.383 1.00 0.00 C ATOM 110 CG2 ILE A 7 102.532 113.292 -35.645 1.00 0.00 C ATOM 111 CD1 ILE A 7 99.713 114.299 -36.419 1.00 0.00 C ATOM 0 H ILE A 7 101.613 115.833 -38.573 1.00 0.00 H new ATOM 0 HA ILE A 7 101.649 115.887 -35.759 1.00 0.00 H new ATOM 0 HB ILE A 7 102.890 113.870 -37.664 1.00 0.00 H new ATOM 0 HG12 ILE A 7 100.625 114.223 -38.369 1.00 0.00 H new ATOM 0 HG13 ILE A 7 100.678 112.703 -37.497 1.00 0.00 H new ATOM 0 HG21 ILE A 7 102.434 112.232 -35.879 1.00 0.00 H new ATOM 0 HG22 ILE A 7 103.559 113.504 -35.346 1.00 0.00 H new ATOM 0 HG23 ILE A 7 101.856 113.547 -34.829 1.00 0.00 H new ATOM 0 HD11 ILE A 7 98.724 114.046 -36.800 1.00 0.00 H new ATOM 0 HD12 ILE A 7 99.854 113.839 -35.441 1.00 0.00 H new ATOM 0 HD13 ILE A 7 99.800 115.382 -36.327 1.00 0.00 H new ATOM 123 N ILE A 8 104.623 115.996 -37.192 1.00 0.00 N ATOM 124 CA ILE A 8 105.989 116.445 -36.981 1.00 0.00 C ATOM 125 C ILE A 8 106.024 117.856 -36.366 1.00 0.00 C ATOM 126 O ILE A 8 106.686 118.094 -35.364 1.00 0.00 O ATOM 127 CB ILE A 8 106.724 116.475 -38.327 1.00 0.00 C ATOM 128 CG1 ILE A 8 106.678 115.124 -39.050 1.00 0.00 C ATOM 129 CG2 ILE A 8 108.170 116.933 -38.142 1.00 0.00 C ATOM 130 CD1 ILE A 8 106.993 115.265 -40.540 1.00 0.00 C ATOM 0 H ILE A 8 104.403 115.722 -38.150 1.00 0.00 H new ATOM 0 HA ILE A 8 106.473 115.752 -36.292 1.00 0.00 H new ATOM 0 HB ILE A 8 106.201 117.194 -38.957 1.00 0.00 H new ATOM 0 HG12 ILE A 8 107.393 114.442 -38.591 1.00 0.00 H new ATOM 0 HG13 ILE A 8 105.690 114.680 -38.928 1.00 0.00 H new ATOM 0 HG21 ILE A 8 108.674 116.947 -39.109 1.00 0.00 H new ATOM 0 HG22 ILE A 8 108.182 117.934 -37.712 1.00 0.00 H new ATOM 0 HG23 ILE A 8 108.687 116.244 -37.474 1.00 0.00 H new ATOM 0 HD11 ILE A 8 106.950 114.285 -41.015 1.00 0.00 H new ATOM 0 HD12 ILE A 8 106.262 115.926 -41.005 1.00 0.00 H new ATOM 0 HD13 ILE A 8 107.992 115.684 -40.663 1.00 0.00 H new ATOM 142 N LYS A 9 105.263 118.758 -37.016 1.00 0.00 N ATOM 143 CA LYS A 9 105.251 120.146 -36.578 1.00 0.00 C ATOM 144 C LYS A 9 104.816 120.272 -35.107 1.00 0.00 C ATOM 145 O LYS A 9 105.477 120.906 -34.294 1.00 0.00 O ATOM 146 CB LYS A 9 104.258 120.910 -37.449 1.00 0.00 C ATOM 147 CG LYS A 9 104.485 122.421 -37.397 1.00 0.00 C ATOM 148 CD LYS A 9 105.216 122.932 -38.640 1.00 0.00 C ATOM 149 CE LYS A 9 106.718 122.654 -38.571 1.00 0.00 C ATOM 150 NZ LYS A 9 107.508 123.691 -39.225 1.00 0.00 N ATOM 0 H LYS A 9 104.670 118.550 -37.820 1.00 0.00 H new ATOM 0 HA LYS A 9 106.259 120.550 -36.670 1.00 0.00 H new ATOM 0 HB2 LYS A 9 104.343 120.567 -38.480 1.00 0.00 H new ATOM 0 HB3 LYS A 9 103.243 120.686 -37.121 1.00 0.00 H new ATOM 0 HG2 LYS A 9 103.525 122.929 -37.306 1.00 0.00 H new ATOM 0 HG3 LYS A 9 105.063 122.671 -36.508 1.00 0.00 H new ATOM 0 HD2 LYS A 9 104.799 122.457 -39.528 1.00 0.00 H new ATOM 0 HD3 LYS A 9 105.049 124.004 -38.744 1.00 0.00 H new ATOM 0 HE2 LYS A 9 107.022 122.574 -37.527 1.00 0.00 H new ATOM 0 HE3 LYS A 9 106.928 121.692 -39.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 108.518 123.456 -39.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 107.239 123.751 -40.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 107.330 124.606 -38.763 1.00 0.00 H new ATOM 164 N ALA A 10 103.665 119.629 -34.829 1.00 0.00 N ATOM 165 CA ALA A 10 103.094 119.728 -33.498 1.00 0.00 C ATOM 166 C ALA A 10 104.028 119.115 -32.446 1.00 0.00 C ATOM 167 O ALA A 10 104.268 119.703 -31.398 1.00 0.00 O ATOM 168 CB ALA A 10 101.741 119.018 -33.457 1.00 0.00 C ATOM 0 H ALA A 10 103.138 119.058 -35.490 1.00 0.00 H new ATOM 0 HA ALA A 10 102.962 120.785 -33.266 1.00 0.00 H new ATOM 0 HB1 ALA A 10 101.319 119.097 -32.455 1.00 0.00 H new ATOM 0 HB2 ALA A 10 101.064 119.483 -34.173 1.00 0.00 H new ATOM 0 HB3 ALA A 10 101.874 117.967 -33.713 1.00 0.00 H new ATOM 174 N SER A 11 104.544 117.909 -32.775 1.00 0.00 N ATOM 175 CA SER A 11 105.487 117.283 -31.864 1.00 0.00 C ATOM 176 C SER A 11 106.618 118.240 -31.449 1.00 0.00 C ATOM 177 O SER A 11 106.851 118.493 -30.273 1.00 0.00 O ATOM 178 CB SER A 11 106.077 116.024 -32.520 1.00 0.00 C ATOM 179 OG SER A 11 107.129 115.394 -31.798 1.00 0.00 O ATOM 0 H SER A 11 104.329 117.384 -33.623 1.00 0.00 H new ATOM 0 HA SER A 11 104.944 117.013 -30.958 1.00 0.00 H new ATOM 0 HB2 SER A 11 105.275 115.301 -32.664 1.00 0.00 H new ATOM 0 HB3 SER A 11 106.448 116.291 -33.510 1.00 0.00 H new ATOM 0 HG SER A 11 106.812 114.540 -31.437 1.00 0.00 H new ATOM 185 N ASN A 12 107.290 118.751 -32.497 1.00 0.00 N ATOM 186 CA ASN A 12 108.476 119.575 -32.258 1.00 0.00 C ATOM 187 C ASN A 12 109.187 120.048 -33.547 1.00 0.00 C ATOM 188 O ASN A 12 109.867 121.066 -33.546 1.00 0.00 O ATOM 189 CB ASN A 12 109.488 118.863 -31.345 1.00 0.00 C ATOM 190 CG ASN A 12 110.072 119.851 -30.333 1.00 0.00 C ATOM 191 OD1 ASN A 12 111.231 120.245 -30.408 1.00 0.00 O ATOM 192 ND2 ASN A 12 109.190 120.219 -29.388 1.00 0.00 N ATOM 0 H ASN A 12 107.042 118.613 -33.477 1.00 0.00 H new ATOM 0 HA ASN A 12 108.095 120.466 -31.759 1.00 0.00 H new ATOM 0 HB2 ASN A 12 109.001 118.040 -30.822 1.00 0.00 H new ATOM 0 HB3 ASN A 12 110.288 118.430 -31.945 1.00 0.00 H new ATOM 0 HD21 ASN A 12 109.468 120.876 -28.659 1.00 0.00 H new ATOM 0 HD22 ASN A 12 108.242 119.842 -29.400 1.00 0.00 H new ATOM 199 N ASP A 13 109.001 119.272 -34.631 1.00 0.00 N ATOM 200 CA ASP A 13 110.124 118.628 -35.286 1.00 0.00 C ATOM 201 C ASP A 13 110.863 117.709 -34.307 1.00 0.00 C ATOM 202 O ASP A 13 111.999 117.960 -33.920 1.00 0.00 O ATOM 203 CB ASP A 13 111.075 119.687 -35.844 1.00 0.00 C ATOM 204 CG ASP A 13 110.372 120.544 -36.901 1.00 0.00 C ATOM 205 OD1 ASP A 13 109.472 121.301 -36.539 1.00 0.00 O ATOM 206 OD2 ASP A 13 110.733 120.444 -38.072 1.00 0.00 O ATOM 0 H ASP A 13 108.093 119.086 -35.057 1.00 0.00 H new ATOM 0 HA ASP A 13 109.749 118.019 -36.109 1.00 0.00 H new ATOM 0 HB2 ASP A 13 111.435 120.322 -35.035 1.00 0.00 H new ATOM 0 HB3 ASP A 13 111.948 119.204 -36.283 1.00 0.00 H new ATOM 211 N VAL A 14 110.141 116.633 -33.934 1.00 0.00 N ATOM 212 CA VAL A 14 110.795 115.342 -33.763 1.00 0.00 C ATOM 213 C VAL A 14 110.619 114.509 -35.037 1.00 0.00 C ATOM 214 O VAL A 14 111.575 114.184 -35.730 1.00 0.00 O ATOM 215 CB VAL A 14 110.183 114.623 -32.558 1.00 0.00 C ATOM 216 CG1 VAL A 14 110.644 113.167 -32.459 1.00 0.00 C ATOM 217 CG2 VAL A 14 110.502 115.363 -31.259 1.00 0.00 C ATOM 0 H VAL A 14 109.137 116.639 -33.753 1.00 0.00 H new ATOM 0 HA VAL A 14 111.861 115.483 -33.584 1.00 0.00 H new ATOM 0 HB VAL A 14 109.104 114.620 -32.709 1.00 0.00 H new ATOM 0 HG11 VAL A 14 110.184 112.698 -31.589 1.00 0.00 H new ATOM 0 HG12 VAL A 14 110.348 112.630 -33.360 1.00 0.00 H new ATOM 0 HG13 VAL A 14 111.729 113.135 -32.357 1.00 0.00 H new ATOM 0 HG21 VAL A 14 110.056 114.832 -30.418 1.00 0.00 H new ATOM 0 HG22 VAL A 14 111.583 115.413 -31.124 1.00 0.00 H new ATOM 0 HG23 VAL A 14 110.095 116.373 -31.307 1.00 0.00 H new ATOM 227 N LEU A 15 109.335 114.186 -35.295 1.00 0.00 N ATOM 228 CA LEU A 15 109.062 113.069 -36.185 1.00 0.00 C ATOM 229 C LEU A 15 109.632 113.367 -37.577 1.00 0.00 C ATOM 230 O LEU A 15 110.045 114.480 -37.883 1.00 0.00 O ATOM 231 CB LEU A 15 107.551 112.825 -36.307 1.00 0.00 C ATOM 232 CG LEU A 15 106.848 112.344 -35.032 1.00 0.00 C ATOM 233 CD1 LEU A 15 107.361 110.991 -34.529 1.00 0.00 C ATOM 234 CD2 LEU A 15 106.896 113.389 -33.920 1.00 0.00 C ATOM 0 H LEU A 15 108.517 114.663 -34.916 1.00 0.00 H new ATOM 0 HA LEU A 15 109.533 112.178 -35.769 1.00 0.00 H new ATOM 0 HB2 LEU A 15 107.078 113.751 -36.633 1.00 0.00 H new ATOM 0 HB3 LEU A 15 107.383 112.088 -37.092 1.00 0.00 H new ATOM 0 HG LEU A 15 105.806 112.199 -35.317 1.00 0.00 H new ATOM 0 HD11 LEU A 15 106.821 110.711 -33.625 1.00 0.00 H new ATOM 0 HD12 LEU A 15 107.202 110.233 -35.296 1.00 0.00 H new ATOM 0 HD13 LEU A 15 108.426 111.065 -34.308 1.00 0.00 H new ATOM 0 HD21 LEU A 15 106.386 113.004 -33.037 1.00 0.00 H new ATOM 0 HD22 LEU A 15 107.934 113.609 -33.672 1.00 0.00 H new ATOM 0 HD23 LEU A 15 106.402 114.301 -34.256 1.00 0.00 H new ATOM 246 N ASN A 16 109.625 112.296 -38.393 1.00 0.00 N ATOM 247 CA ASN A 16 109.573 112.484 -39.837 1.00 0.00 C ATOM 248 C ASN A 16 108.119 112.303 -40.304 1.00 0.00 C ATOM 249 O ASN A 16 107.186 112.377 -39.515 1.00 0.00 O ATOM 250 CB ASN A 16 110.527 111.490 -40.514 1.00 0.00 C ATOM 251 CG ASN A 16 111.973 111.774 -40.097 1.00 0.00 C ATOM 252 OD1 ASN A 16 112.543 111.107 -39.241 1.00 0.00 O ATOM 253 ND2 ASN A 16 112.519 112.807 -40.762 1.00 0.00 N ATOM 0 H ASN A 16 109.654 111.325 -38.081 1.00 0.00 H new ATOM 0 HA ASN A 16 109.897 113.488 -40.113 1.00 0.00 H new ATOM 0 HB2 ASN A 16 110.256 110.471 -40.240 1.00 0.00 H new ATOM 0 HB3 ASN A 16 110.432 111.565 -41.597 1.00 0.00 H new ATOM 0 HD21 ASN A 16 113.480 113.088 -40.567 1.00 0.00 H new ATOM 0 HD22 ASN A 16 111.972 113.310 -41.461 1.00 0.00 H new ATOM 260 N GLU A 17 107.978 112.061 -41.624 1.00 0.00 N ATOM 261 CA GLU A 17 106.810 111.326 -42.092 1.00 0.00 C ATOM 262 C GLU A 17 106.644 109.988 -41.349 1.00 0.00 C ATOM 263 O GLU A 17 105.603 109.702 -40.769 1.00 0.00 O ATOM 264 CB GLU A 17 106.936 111.072 -43.595 1.00 0.00 C ATOM 265 CG GLU A 17 106.675 112.339 -44.411 1.00 0.00 C ATOM 266 CD GLU A 17 107.968 113.144 -44.551 1.00 0.00 C ATOM 267 OE1 GLU A 17 108.901 112.649 -45.185 1.00 0.00 O ATOM 268 OE2 GLU A 17 108.029 114.254 -44.027 1.00 0.00 O ATOM 0 H GLU A 17 108.633 112.354 -42.349 1.00 0.00 H new ATOM 0 HA GLU A 17 105.926 111.931 -41.888 1.00 0.00 H new ATOM 0 HB2 GLU A 17 107.935 110.696 -43.817 1.00 0.00 H new ATOM 0 HB3 GLU A 17 106.230 110.297 -43.893 1.00 0.00 H new ATOM 0 HG2 GLU A 17 106.292 112.075 -45.397 1.00 0.00 H new ATOM 0 HG3 GLU A 17 105.910 112.944 -43.924 1.00 0.00 H new ATOM 275 N LYS A 18 107.732 109.198 -41.407 1.00 0.00 N ATOM 276 CA LYS A 18 107.588 107.784 -41.107 1.00 0.00 C ATOM 277 C LYS A 18 107.164 107.557 -39.646 1.00 0.00 C ATOM 278 O LYS A 18 106.221 106.828 -39.366 1.00 0.00 O ATOM 279 CB LYS A 18 108.917 107.083 -41.380 1.00 0.00 C ATOM 280 CG LYS A 18 109.371 107.272 -42.824 1.00 0.00 C ATOM 281 CD LYS A 18 110.487 106.298 -43.192 1.00 0.00 C ATOM 282 CE LYS A 18 111.448 106.889 -44.224 1.00 0.00 C ATOM 283 NZ LYS A 18 112.775 106.287 -44.155 1.00 0.00 N ATOM 0 H LYS A 18 108.674 109.506 -41.648 1.00 0.00 H new ATOM 0 HA LYS A 18 106.806 107.370 -41.744 1.00 0.00 H new ATOM 0 HB2 LYS A 18 109.679 107.473 -40.705 1.00 0.00 H new ATOM 0 HB3 LYS A 18 108.817 106.019 -41.167 1.00 0.00 H new ATOM 0 HG2 LYS A 18 108.524 107.127 -43.495 1.00 0.00 H new ATOM 0 HG3 LYS A 18 109.718 108.295 -42.966 1.00 0.00 H new ATOM 0 HD2 LYS A 18 111.042 106.027 -42.294 1.00 0.00 H new ATOM 0 HD3 LYS A 18 110.051 105.380 -43.587 1.00 0.00 H new ATOM 0 HE2 LYS A 18 111.038 106.745 -45.223 1.00 0.00 H new ATOM 0 HE3 LYS A 18 111.531 107.964 -44.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 113.497 107.036 -44.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 112.861 105.736 -43.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 112.915 105.660 -44.973 1.00 0.00 H new ATOM 297 N THR A 19 107.900 108.226 -38.740 1.00 0.00 N ATOM 298 CA THR A 19 107.526 108.123 -37.337 1.00 0.00 C ATOM 299 C THR A 19 106.177 108.798 -37.017 1.00 0.00 C ATOM 300 O THR A 19 105.437 108.342 -36.155 1.00 0.00 O ATOM 301 CB THR A 19 108.642 108.711 -36.470 1.00 0.00 C ATOM 302 OG1 THR A 19 108.909 110.047 -36.831 1.00 0.00 O ATOM 303 CG2 THR A 19 109.915 107.864 -36.550 1.00 0.00 C ATOM 0 H THR A 19 108.711 108.810 -38.946 1.00 0.00 H new ATOM 0 HA THR A 19 107.394 107.065 -37.112 1.00 0.00 H new ATOM 0 HB THR A 19 108.297 108.699 -35.436 1.00 0.00 H new ATOM 0 HG1 THR A 19 109.847 110.256 -36.641 1.00 0.00 H new ATOM 0 HG21 THR A 19 110.688 108.309 -35.923 1.00 0.00 H new ATOM 0 HG22 THR A 19 109.702 106.853 -36.202 1.00 0.00 H new ATOM 0 HG23 THR A 19 110.262 107.826 -37.582 1.00 0.00 H new ATOM 311 N ALA A 20 105.898 109.900 -37.737 1.00 0.00 N ATOM 312 CA ALA A 20 104.643 110.593 -37.506 1.00 0.00 C ATOM 313 C ALA A 20 103.424 109.703 -37.814 1.00 0.00 C ATOM 314 O ALA A 20 102.482 109.637 -37.035 1.00 0.00 O ATOM 315 CB ALA A 20 104.613 111.814 -38.424 1.00 0.00 C ATOM 0 H ALA A 20 106.503 110.307 -38.451 1.00 0.00 H new ATOM 0 HA ALA A 20 104.585 110.873 -36.454 1.00 0.00 H new ATOM 0 HB1 ALA A 20 103.681 112.358 -38.275 1.00 0.00 H new ATOM 0 HB2 ALA A 20 105.455 112.466 -38.190 1.00 0.00 H new ATOM 0 HB3 ALA A 20 104.682 111.490 -39.462 1.00 0.00 H new ATOM 321 N THR A 21 103.489 109.026 -38.977 1.00 0.00 N ATOM 322 CA THR A 21 102.392 108.121 -39.307 1.00 0.00 C ATOM 323 C THR A 21 102.319 106.902 -38.363 1.00 0.00 C ATOM 324 O THR A 21 101.244 106.469 -37.966 1.00 0.00 O ATOM 325 CB THR A 21 102.483 107.713 -40.782 1.00 0.00 C ATOM 326 OG1 THR A 21 101.249 107.232 -41.273 1.00 0.00 O ATOM 327 CG2 THR A 21 103.623 106.737 -41.084 1.00 0.00 C ATOM 0 H THR A 21 104.243 109.086 -39.661 1.00 0.00 H new ATOM 0 HA THR A 21 101.455 108.656 -39.154 1.00 0.00 H new ATOM 0 HB THR A 21 102.725 108.630 -41.319 1.00 0.00 H new ATOM 0 HG1 THR A 21 101.347 106.984 -42.216 1.00 0.00 H new ATOM 0 HG21 THR A 21 103.623 106.495 -42.147 1.00 0.00 H new ATOM 0 HG22 THR A 21 104.575 107.195 -40.816 1.00 0.00 H new ATOM 0 HG23 THR A 21 103.484 105.824 -40.504 1.00 0.00 H new ATOM 335 N ILE A 22 103.515 106.379 -38.039 1.00 0.00 N ATOM 336 CA ILE A 22 103.591 105.185 -37.205 1.00 0.00 C ATOM 337 C ILE A 22 103.039 105.453 -35.793 1.00 0.00 C ATOM 338 O ILE A 22 102.194 104.723 -35.288 1.00 0.00 O ATOM 339 CB ILE A 22 105.057 104.756 -37.116 1.00 0.00 C ATOM 340 CG1 ILE A 22 105.602 104.365 -38.496 1.00 0.00 C ATOM 341 CG2 ILE A 22 105.293 103.660 -36.068 1.00 0.00 C ATOM 342 CD1 ILE A 22 105.574 102.858 -38.764 1.00 0.00 C ATOM 0 H ILE A 22 104.414 106.758 -38.336 1.00 0.00 H new ATOM 0 HA ILE A 22 102.985 104.397 -37.652 1.00 0.00 H new ATOM 0 HB ILE A 22 105.622 105.622 -36.771 1.00 0.00 H new ATOM 0 HG12 ILE A 22 105.019 104.873 -39.264 1.00 0.00 H new ATOM 0 HG13 ILE A 22 106.628 104.722 -38.586 1.00 0.00 H new ATOM 0 HG21 ILE A 22 106.350 103.396 -36.049 1.00 0.00 H new ATOM 0 HG22 ILE A 22 104.993 104.025 -35.086 1.00 0.00 H new ATOM 0 HG23 ILE A 22 104.704 102.779 -36.323 1.00 0.00 H new ATOM 0 HD11 ILE A 22 105.974 102.658 -39.758 1.00 0.00 H new ATOM 0 HD12 ILE A 22 106.181 102.344 -38.018 1.00 0.00 H new ATOM 0 HD13 ILE A 22 104.547 102.497 -38.707 1.00 0.00 H new ATOM 354 N LEU A 23 103.568 106.541 -35.195 1.00 0.00 N ATOM 355 CA LEU A 23 103.000 107.030 -33.945 1.00 0.00 C ATOM 356 C LEU A 23 101.475 107.231 -34.039 1.00 0.00 C ATOM 357 O LEU A 23 100.752 106.949 -33.095 1.00 0.00 O ATOM 358 CB LEU A 23 103.692 108.351 -33.570 1.00 0.00 C ATOM 359 CG LEU A 23 102.945 109.199 -32.533 1.00 0.00 C ATOM 360 CD1 LEU A 23 102.760 108.426 -31.227 1.00 0.00 C ATOM 361 CD2 LEU A 23 103.673 110.522 -32.285 1.00 0.00 C ATOM 0 H LEU A 23 104.361 107.075 -35.551 1.00 0.00 H new ATOM 0 HA LEU A 23 103.172 106.281 -33.172 1.00 0.00 H new ATOM 0 HB2 LEU A 23 104.687 108.127 -33.186 1.00 0.00 H new ATOM 0 HB3 LEU A 23 103.826 108.944 -34.475 1.00 0.00 H new ATOM 0 HG LEU A 23 101.957 109.427 -32.932 1.00 0.00 H new ATOM 0 HD11 LEU A 23 102.228 109.049 -30.508 1.00 0.00 H new ATOM 0 HD12 LEU A 23 102.185 107.520 -31.419 1.00 0.00 H new ATOM 0 HD13 LEU A 23 103.736 108.157 -30.822 1.00 0.00 H new ATOM 0 HD21 LEU A 23 103.124 111.106 -31.546 1.00 0.00 H new ATOM 0 HD22 LEU A 23 104.678 110.320 -31.915 1.00 0.00 H new ATOM 0 HD23 LEU A 23 103.736 111.083 -33.217 1.00 0.00 H new ATOM 373 N ILE A 24 101.037 107.747 -35.201 1.00 0.00 N ATOM 374 CA ILE A 24 99.614 107.956 -35.387 1.00 0.00 C ATOM 375 C ILE A 24 98.831 106.630 -35.422 1.00 0.00 C ATOM 376 O ILE A 24 97.762 106.511 -34.837 1.00 0.00 O ATOM 377 CB ILE A 24 99.427 108.779 -36.657 1.00 0.00 C ATOM 378 CG1 ILE A 24 99.938 110.193 -36.388 1.00 0.00 C ATOM 379 CG2 ILE A 24 97.983 108.764 -37.172 1.00 0.00 C ATOM 380 CD1 ILE A 24 98.839 111.111 -35.856 1.00 0.00 C ATOM 0 H ILE A 24 101.629 108.013 -35.988 1.00 0.00 H new ATOM 0 HA ILE A 24 99.204 108.500 -34.536 1.00 0.00 H new ATOM 0 HB ILE A 24 100.007 108.329 -37.463 1.00 0.00 H new ATOM 0 HG12 ILE A 24 100.755 110.152 -35.668 1.00 0.00 H new ATOM 0 HG13 ILE A 24 100.345 110.612 -37.308 1.00 0.00 H new ATOM 0 HG21 ILE A 24 97.913 109.367 -38.077 1.00 0.00 H new ATOM 0 HG22 ILE A 24 97.687 107.739 -37.395 1.00 0.00 H new ATOM 0 HG23 ILE A 24 97.321 109.175 -36.410 1.00 0.00 H new ATOM 0 HD11 ILE A 24 99.249 112.105 -35.680 1.00 0.00 H new ATOM 0 HD12 ILE A 24 98.033 111.175 -36.587 1.00 0.00 H new ATOM 0 HD13 ILE A 24 98.449 110.708 -34.921 1.00 0.00 H new ATOM 392 N THR A 25 99.413 105.655 -36.142 1.00 0.00 N ATOM 393 CA THR A 25 98.721 104.385 -36.289 1.00 0.00 C ATOM 394 C THR A 25 98.482 103.716 -34.918 1.00 0.00 C ATOM 395 O THR A 25 97.383 103.266 -34.621 1.00 0.00 O ATOM 396 CB THR A 25 99.524 103.456 -37.211 1.00 0.00 C ATOM 397 OG1 THR A 25 100.288 104.162 -38.164 1.00 0.00 O ATOM 398 CG2 THR A 25 98.616 102.444 -37.913 1.00 0.00 C ATOM 0 H THR A 25 100.318 105.723 -36.607 1.00 0.00 H new ATOM 0 HA THR A 25 97.746 104.575 -36.738 1.00 0.00 H new ATOM 0 HB THR A 25 100.219 102.919 -36.565 1.00 0.00 H new ATOM 0 HG1 THR A 25 100.843 104.829 -37.709 1.00 0.00 H new ATOM 0 HG21 THR A 25 99.217 101.802 -38.558 1.00 0.00 H new ATOM 0 HG22 THR A 25 98.106 101.834 -37.167 1.00 0.00 H new ATOM 0 HG23 THR A 25 97.878 102.974 -38.515 1.00 0.00 H new ATOM 406 N ILE A 26 99.562 103.675 -34.110 1.00 0.00 N ATOM 407 CA ILE A 26 99.381 103.266 -32.722 1.00 0.00 C ATOM 408 C ILE A 26 98.419 104.207 -31.973 1.00 0.00 C ATOM 409 O ILE A 26 97.474 103.777 -31.323 1.00 0.00 O ATOM 410 CB ILE A 26 100.724 103.267 -31.989 1.00 0.00 C ATOM 411 CG1 ILE A 26 101.795 102.431 -32.701 1.00 0.00 C ATOM 412 CG2 ILE A 26 100.541 102.807 -30.541 1.00 0.00 C ATOM 413 CD1 ILE A 26 103.156 103.127 -32.656 1.00 0.00 C ATOM 0 H ILE A 26 100.516 103.909 -34.384 1.00 0.00 H new ATOM 0 HA ILE A 26 98.957 102.262 -32.737 1.00 0.00 H new ATOM 0 HB ILE A 26 101.087 104.295 -31.993 1.00 0.00 H new ATOM 0 HG12 ILE A 26 101.868 101.451 -32.230 1.00 0.00 H new ATOM 0 HG13 ILE A 26 101.502 102.265 -33.738 1.00 0.00 H new ATOM 0 HG21 ILE A 26 101.505 102.813 -30.033 1.00 0.00 H new ATOM 0 HG22 ILE A 26 99.856 103.483 -30.028 1.00 0.00 H new ATOM 0 HG23 ILE A 26 100.131 101.797 -30.529 1.00 0.00 H new ATOM 0 HD11 ILE A 26 103.896 102.512 -33.168 1.00 0.00 H new ATOM 0 HD12 ILE A 26 103.085 104.096 -33.149 1.00 0.00 H new ATOM 0 HD13 ILE A 26 103.458 103.269 -31.618 1.00 0.00 H new ATOM 425 N ALA A 27 98.726 105.511 -32.112 1.00 0.00 N ATOM 426 CA ALA A 27 98.052 106.516 -31.291 1.00 0.00 C ATOM 427 C ALA A 27 96.517 106.398 -31.375 1.00 0.00 C ATOM 428 O ALA A 27 95.822 106.419 -30.366 1.00 0.00 O ATOM 429 CB ALA A 27 98.458 107.922 -31.746 1.00 0.00 C ATOM 0 H ALA A 27 99.416 105.879 -32.767 1.00 0.00 H new ATOM 0 HA ALA A 27 98.357 106.342 -30.259 1.00 0.00 H new ATOM 0 HB1 ALA A 27 97.951 108.664 -31.129 1.00 0.00 H new ATOM 0 HB2 ALA A 27 99.537 108.040 -31.644 1.00 0.00 H new ATOM 0 HB3 ALA A 27 98.175 108.063 -32.789 1.00 0.00 H new ATOM 435 N LYS A 28 96.039 106.276 -32.630 1.00 0.00 N ATOM 436 CA LYS A 28 94.624 106.025 -32.863 1.00 0.00 C ATOM 437 C LYS A 28 94.144 104.794 -32.079 1.00 0.00 C ATOM 438 O LYS A 28 93.227 104.860 -31.270 1.00 0.00 O ATOM 439 CB LYS A 28 94.370 105.831 -34.364 1.00 0.00 C ATOM 440 CG LYS A 28 93.027 106.420 -34.792 1.00 0.00 C ATOM 441 CD LYS A 28 92.690 106.071 -36.242 1.00 0.00 C ATOM 442 CE LYS A 28 93.085 107.193 -37.203 1.00 0.00 C ATOM 443 NZ LYS A 28 92.184 107.291 -38.345 1.00 0.00 N ATOM 0 H LYS A 28 96.607 106.347 -33.474 1.00 0.00 H new ATOM 0 HA LYS A 28 94.059 106.888 -32.511 1.00 0.00 H new ATOM 0 HB2 LYS A 28 95.172 106.303 -34.932 1.00 0.00 H new ATOM 0 HB3 LYS A 28 94.393 104.768 -34.602 1.00 0.00 H new ATOM 0 HG2 LYS A 28 92.241 106.046 -34.136 1.00 0.00 H new ATOM 0 HG3 LYS A 28 93.052 107.503 -34.675 1.00 0.00 H new ATOM 0 HD2 LYS A 28 93.205 105.153 -36.524 1.00 0.00 H new ATOM 0 HD3 LYS A 28 91.621 105.877 -36.330 1.00 0.00 H new ATOM 0 HE2 LYS A 28 93.091 108.142 -36.666 1.00 0.00 H new ATOM 0 HE3 LYS A 28 94.101 107.022 -37.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 92.494 108.065 -38.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 92.196 106.396 -38.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 91.218 107.481 -38.010 1.00 0.00 H new ATOM 457 N LYS A 29 94.832 103.676 -32.379 1.00 0.00 N ATOM 458 CA LYS A 29 94.323 102.377 -31.990 1.00 0.00 C ATOM 459 C LYS A 29 94.952 101.955 -30.655 1.00 0.00 C ATOM 460 O LYS A 29 96.164 101.839 -30.518 1.00 0.00 O ATOM 461 CB LYS A 29 94.685 101.349 -33.055 1.00 0.00 C ATOM 462 CG LYS A 29 94.059 100.000 -32.735 1.00 0.00 C ATOM 463 CD LYS A 29 94.289 99.002 -33.866 1.00 0.00 C ATOM 464 CE LYS A 29 93.121 98.971 -34.852 1.00 0.00 C ATOM 465 NZ LYS A 29 92.209 97.860 -34.604 1.00 0.00 N ATOM 0 H LYS A 29 95.721 103.659 -32.879 1.00 0.00 H new ATOM 0 HA LYS A 29 93.240 102.434 -31.884 1.00 0.00 H new ATOM 0 HB2 LYS A 29 94.342 101.693 -34.031 1.00 0.00 H new ATOM 0 HB3 LYS A 29 95.769 101.247 -33.116 1.00 0.00 H new ATOM 0 HG2 LYS A 29 94.484 99.610 -31.810 1.00 0.00 H new ATOM 0 HG3 LYS A 29 92.989 100.123 -32.567 1.00 0.00 H new ATOM 0 HD2 LYS A 29 95.205 99.262 -34.397 1.00 0.00 H new ATOM 0 HD3 LYS A 29 94.435 98.007 -33.446 1.00 0.00 H new ATOM 0 HE2 LYS A 29 92.571 99.910 -34.788 1.00 0.00 H new ATOM 0 HE3 LYS A 29 93.509 98.898 -35.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 91.435 97.884 -35.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 92.725 96.961 -34.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 91.815 97.941 -33.645 1.00 0.00 H new ATOM 479 N ASP A 30 94.042 101.733 -29.692 1.00 0.00 N ATOM 480 CA ASP A 30 94.443 101.330 -28.361 1.00 0.00 C ATOM 481 C ASP A 30 94.498 99.798 -28.283 1.00 0.00 C ATOM 482 O ASP A 30 93.485 99.116 -28.373 1.00 0.00 O ATOM 483 CB ASP A 30 93.417 101.854 -27.359 1.00 0.00 C ATOM 484 CG ASP A 30 93.440 103.385 -27.324 1.00 0.00 C ATOM 485 OD1 ASP A 30 94.337 103.945 -26.697 1.00 0.00 O ATOM 486 OD2 ASP A 30 92.559 103.998 -27.926 1.00 0.00 O ATOM 0 H ASP A 30 93.035 101.828 -29.822 1.00 0.00 H new ATOM 0 HA ASP A 30 95.428 101.736 -28.132 1.00 0.00 H new ATOM 0 HB2 ASP A 30 92.421 101.505 -27.632 1.00 0.00 H new ATOM 0 HB3 ASP A 30 93.633 101.458 -26.367 1.00 0.00 H new ATOM 491 N PHE A 31 95.742 99.317 -28.113 1.00 0.00 N ATOM 492 CA PHE A 31 96.058 97.934 -28.451 1.00 0.00 C ATOM 493 C PHE A 31 95.759 97.678 -29.937 1.00 0.00 C ATOM 494 O PHE A 31 94.953 96.829 -30.299 1.00 0.00 O ATOM 495 CB PHE A 31 95.289 96.929 -27.576 1.00 0.00 C ATOM 496 CG PHE A 31 95.607 97.049 -26.105 1.00 0.00 C ATOM 497 CD1 PHE A 31 94.909 97.992 -25.306 1.00 0.00 C ATOM 498 CD2 PHE A 31 96.587 96.221 -25.498 1.00 0.00 C ATOM 499 CE1 PHE A 31 95.164 98.087 -23.916 1.00 0.00 C ATOM 500 CE2 PHE A 31 96.843 96.313 -24.106 1.00 0.00 C ATOM 501 CZ PHE A 31 96.126 97.242 -23.314 1.00 0.00 C ATOM 0 H PHE A 31 96.526 99.860 -27.750 1.00 0.00 H new ATOM 0 HA PHE A 31 97.120 97.784 -28.257 1.00 0.00 H new ATOM 0 HB2 PHE A 31 94.219 97.076 -27.722 1.00 0.00 H new ATOM 0 HB3 PHE A 31 95.520 95.917 -27.909 1.00 0.00 H new ATOM 0 HD1 PHE A 31 94.177 98.643 -25.762 1.00 0.00 H new ATOM 0 HD2 PHE A 31 97.141 95.516 -26.100 1.00 0.00 H new ATOM 0 HE1 PHE A 31 94.624 98.804 -23.316 1.00 0.00 H new ATOM 0 HE2 PHE A 31 97.585 95.674 -23.650 1.00 0.00 H new ATOM 0 HZ PHE A 31 96.313 97.306 -22.252 1.00 0.00 H new ATOM 511 N ILE A 32 96.468 98.478 -30.761 1.00 0.00 N ATOM 512 CA ILE A 32 97.152 97.978 -31.940 1.00 0.00 C ATOM 513 C ILE A 32 98.039 96.771 -31.582 1.00 0.00 C ATOM 514 O ILE A 32 97.858 96.118 -30.564 1.00 0.00 O ATOM 515 CB ILE A 32 97.928 99.145 -32.578 1.00 0.00 C ATOM 516 CG1 ILE A 32 98.069 98.932 -34.081 1.00 0.00 C ATOM 517 CG2 ILE A 32 99.292 99.390 -31.929 1.00 0.00 C ATOM 518 CD1 ILE A 32 98.299 100.246 -34.822 1.00 0.00 C ATOM 0 H ILE A 32 96.573 99.482 -30.616 1.00 0.00 H new ATOM 0 HA ILE A 32 96.440 97.606 -32.677 1.00 0.00 H new ATOM 0 HB ILE A 32 97.342 100.046 -32.398 1.00 0.00 H new ATOM 0 HG12 ILE A 32 98.901 98.255 -34.275 1.00 0.00 H new ATOM 0 HG13 ILE A 32 97.170 98.451 -34.466 1.00 0.00 H new ATOM 0 HG21 ILE A 32 99.786 100.225 -32.425 1.00 0.00 H new ATOM 0 HG22 ILE A 32 99.156 99.624 -30.873 1.00 0.00 H new ATOM 0 HG23 ILE A 32 99.907 98.495 -32.025 1.00 0.00 H new ATOM 0 HD11 ILE A 32 98.394 100.050 -35.890 1.00 0.00 H new ATOM 0 HD12 ILE A 32 97.455 100.914 -34.650 1.00 0.00 H new ATOM 0 HD13 ILE A 32 99.213 100.715 -34.457 1.00 0.00 H new ATOM 530 N THR A 33 98.995 96.511 -32.490 1.00 0.00 N ATOM 531 CA THR A 33 100.325 96.134 -32.034 1.00 0.00 C ATOM 532 C THR A 33 101.363 96.731 -32.992 1.00 0.00 C ATOM 533 O THR A 33 101.040 97.451 -33.930 1.00 0.00 O ATOM 534 CB THR A 33 100.448 94.599 -31.965 1.00 0.00 C ATOM 535 OG1 THR A 33 100.629 94.004 -33.231 1.00 0.00 O ATOM 536 CG2 THR A 33 99.259 93.946 -31.247 1.00 0.00 C ATOM 0 H THR A 33 98.872 96.554 -33.502 1.00 0.00 H new ATOM 0 HA THR A 33 100.501 96.524 -31.032 1.00 0.00 H new ATOM 0 HB THR A 33 101.347 94.415 -31.377 1.00 0.00 H new ATOM 0 HG1 THR A 33 99.757 93.874 -33.659 1.00 0.00 H new ATOM 0 HG21 THR A 33 99.396 92.865 -31.226 1.00 0.00 H new ATOM 0 HG22 THR A 33 99.198 94.324 -30.226 1.00 0.00 H new ATOM 0 HG23 THR A 33 98.337 94.185 -31.778 1.00 0.00 H new ATOM 544 N ALA A 34 102.629 96.387 -32.697 1.00 0.00 N ATOM 545 CA ALA A 34 103.639 96.507 -33.743 1.00 0.00 C ATOM 546 C ALA A 34 103.252 95.755 -35.035 1.00 0.00 C ATOM 547 O ALA A 34 103.447 96.248 -36.138 1.00 0.00 O ATOM 548 CB ALA A 34 104.980 95.993 -33.220 1.00 0.00 C ATOM 0 H ALA A 34 102.958 96.043 -31.795 1.00 0.00 H new ATOM 0 HA ALA A 34 103.715 97.563 -34.002 1.00 0.00 H new ATOM 0 HB1 ALA A 34 105.734 96.083 -34.002 1.00 0.00 H new ATOM 0 HB2 ALA A 34 105.283 96.582 -32.354 1.00 0.00 H new ATOM 0 HB3 ALA A 34 104.881 94.947 -32.930 1.00 0.00 H new ATOM 554 N ALA A 35 102.697 94.544 -34.828 1.00 0.00 N ATOM 555 CA ALA A 35 102.269 93.724 -35.951 1.00 0.00 C ATOM 556 C ALA A 35 101.281 94.477 -36.866 1.00 0.00 C ATOM 557 O ALA A 35 101.454 94.521 -38.076 1.00 0.00 O ATOM 558 CB ALA A 35 101.647 92.415 -35.440 1.00 0.00 C ATOM 0 H ALA A 35 102.542 94.129 -33.909 1.00 0.00 H new ATOM 0 HA ALA A 35 103.149 93.490 -36.550 1.00 0.00 H new ATOM 0 HB1 ALA A 35 101.330 91.808 -36.288 1.00 0.00 H new ATOM 0 HB2 ALA A 35 102.385 91.865 -34.856 1.00 0.00 H new ATOM 0 HB3 ALA A 35 100.785 92.642 -34.813 1.00 0.00 H new ATOM 564 N GLU A 36 100.246 95.063 -36.234 1.00 0.00 N ATOM 565 CA GLU A 36 99.294 95.802 -37.047 1.00 0.00 C ATOM 566 C GLU A 36 99.951 96.994 -37.778 1.00 0.00 C ATOM 567 O GLU A 36 99.657 97.261 -38.936 1.00 0.00 O ATOM 568 CB GLU A 36 98.108 96.279 -36.199 1.00 0.00 C ATOM 569 CG GLU A 36 96.782 95.916 -36.864 1.00 0.00 C ATOM 570 CD GLU A 36 95.654 95.861 -35.829 1.00 0.00 C ATOM 571 OE1 GLU A 36 95.730 96.581 -34.836 1.00 0.00 O ATOM 572 OE2 GLU A 36 94.712 95.094 -36.030 1.00 0.00 O ATOM 0 H GLU A 36 100.063 95.039 -35.231 1.00 0.00 H new ATOM 0 HA GLU A 36 98.927 95.116 -37.810 1.00 0.00 H new ATOM 0 HB2 GLU A 36 98.159 95.827 -35.209 1.00 0.00 H new ATOM 0 HB3 GLU A 36 98.166 97.359 -36.060 1.00 0.00 H new ATOM 0 HG2 GLU A 36 96.542 96.651 -37.632 1.00 0.00 H new ATOM 0 HG3 GLU A 36 96.872 94.951 -37.363 1.00 0.00 H new ATOM 579 N VAL A 37 100.840 97.693 -37.044 1.00 0.00 N ATOM 580 CA VAL A 37 101.541 98.808 -37.662 1.00 0.00 C ATOM 581 C VAL A 37 102.371 98.366 -38.890 1.00 0.00 C ATOM 582 O VAL A 37 102.421 99.067 -39.892 1.00 0.00 O ATOM 583 CB VAL A 37 102.431 99.499 -36.626 1.00 0.00 C ATOM 584 CG1 VAL A 37 103.214 100.650 -37.262 1.00 0.00 C ATOM 585 CG2 VAL A 37 101.626 100.006 -35.422 1.00 0.00 C ATOM 0 H VAL A 37 101.074 97.509 -36.069 1.00 0.00 H new ATOM 0 HA VAL A 37 100.793 99.514 -38.024 1.00 0.00 H new ATOM 0 HB VAL A 37 103.135 98.751 -36.261 1.00 0.00 H new ATOM 0 HG11 VAL A 37 103.839 101.126 -36.507 1.00 0.00 H new ATOM 0 HG12 VAL A 37 103.844 100.263 -38.063 1.00 0.00 H new ATOM 0 HG13 VAL A 37 102.517 101.382 -37.670 1.00 0.00 H new ATOM 0 HG21 VAL A 37 102.298 100.489 -34.713 1.00 0.00 H new ATOM 0 HG22 VAL A 37 100.878 100.723 -35.760 1.00 0.00 H new ATOM 0 HG23 VAL A 37 101.129 99.166 -34.937 1.00 0.00 H new ATOM 595 N ARG A 38 103.033 97.196 -38.767 1.00 0.00 N ATOM 596 CA ARG A 38 103.535 96.553 -39.975 1.00 0.00 C ATOM 597 C ARG A 38 102.430 96.330 -41.032 1.00 0.00 C ATOM 598 O ARG A 38 102.612 96.599 -42.214 1.00 0.00 O ATOM 599 CB ARG A 38 104.179 95.221 -39.611 1.00 0.00 C ATOM 600 CG ARG A 38 105.329 95.387 -38.618 1.00 0.00 C ATOM 601 CD ARG A 38 106.439 94.361 -38.867 1.00 0.00 C ATOM 602 NE ARG A 38 106.960 93.843 -37.615 1.00 0.00 N ATOM 603 CZ ARG A 38 107.819 94.605 -36.914 1.00 0.00 C ATOM 604 NH1 ARG A 38 107.517 95.871 -36.639 1.00 0.00 N ATOM 605 NH2 ARG A 38 108.972 94.090 -36.493 1.00 0.00 N ATOM 0 H ARG A 38 103.220 96.708 -37.891 1.00 0.00 H new ATOM 0 HA ARG A 38 104.272 97.222 -40.419 1.00 0.00 H new ATOM 0 HB2 ARG A 38 103.425 94.560 -39.184 1.00 0.00 H new ATOM 0 HB3 ARG A 38 104.549 94.739 -40.516 1.00 0.00 H new ATOM 0 HG2 ARG A 38 105.738 96.394 -38.699 1.00 0.00 H new ATOM 0 HG3 ARG A 38 104.952 95.277 -37.601 1.00 0.00 H new ATOM 0 HD2 ARG A 38 106.052 93.540 -39.471 1.00 0.00 H new ATOM 0 HD3 ARG A 38 107.245 94.823 -39.437 1.00 0.00 H new ATOM 0 HE ARG A 38 106.681 92.923 -37.275 1.00 0.00 H new ATOM 0 HH11 ARG A 38 106.633 96.266 -36.960 1.00 0.00 H new ATOM 0 HH12 ARG A 38 108.170 96.447 -36.107 1.00 0.00 H new ATOM 0 HH21 ARG A 38 109.203 93.119 -36.702 1.00 0.00 H new ATOM 0 HH22 ARG A 38 109.624 94.667 -35.961 1.00 0.00 H new ATOM 619 N GLU A 39 101.285 95.822 -40.536 1.00 0.00 N ATOM 620 CA GLU A 39 100.300 95.223 -41.428 1.00 0.00 C ATOM 621 C GLU A 39 99.581 96.270 -42.296 1.00 0.00 C ATOM 622 O GLU A 39 99.344 96.058 -43.480 1.00 0.00 O ATOM 623 CB GLU A 39 99.268 94.461 -40.604 1.00 0.00 C ATOM 624 CG GLU A 39 99.895 93.275 -39.875 1.00 0.00 C ATOM 625 CD GLU A 39 99.414 91.939 -40.455 1.00 0.00 C ATOM 626 OE1 GLU A 39 98.289 91.541 -40.158 1.00 0.00 O ATOM 627 OE2 GLU A 39 100.173 91.314 -41.195 1.00 0.00 O ATOM 0 H GLU A 39 101.032 95.818 -39.548 1.00 0.00 H new ATOM 0 HA GLU A 39 100.834 94.549 -42.098 1.00 0.00 H new ATOM 0 HB2 GLU A 39 98.812 95.135 -39.879 1.00 0.00 H new ATOM 0 HB3 GLU A 39 98.470 94.107 -41.257 1.00 0.00 H new ATOM 0 HG2 GLU A 39 100.981 93.335 -39.948 1.00 0.00 H new ATOM 0 HG3 GLU A 39 99.644 93.324 -38.815 1.00 0.00 H new ATOM 719 N ASN A 46 108.568 98.481 -44.124 1.00 0.00 N ATOM 720 CA ASN A 46 108.600 97.547 -43.001 1.00 0.00 C ATOM 721 C ASN A 46 109.837 97.735 -42.095 1.00 0.00 C ATOM 722 O ASN A 46 109.723 97.778 -40.876 1.00 0.00 O ATOM 723 CB ASN A 46 108.547 96.107 -43.511 1.00 0.00 C ATOM 724 CG ASN A 46 109.722 95.804 -44.453 1.00 0.00 C ATOM 725 OD1 ASN A 46 109.703 96.138 -45.631 1.00 0.00 O ATOM 726 ND2 ASN A 46 110.740 95.154 -43.857 1.00 0.00 N ATOM 0 HA ASN A 46 107.722 97.761 -42.392 1.00 0.00 H new ATOM 0 HB2 ASN A 46 108.569 95.419 -42.666 1.00 0.00 H new ATOM 0 HB3 ASN A 46 107.606 95.939 -44.035 1.00 0.00 H new ATOM 0 HD21 ASN A 46 111.571 94.906 -44.394 1.00 0.00 H new ATOM 0 HD22 ASN A 46 110.680 94.910 -42.868 1.00 0.00 H new ATOM 733 N ALA A 47 111.010 97.846 -42.751 1.00 0.00 N ATOM 734 CA ALA A 47 112.215 98.084 -41.969 1.00 0.00 C ATOM 735 C ALA A 47 112.134 99.391 -41.156 1.00 0.00 C ATOM 736 O ALA A 47 112.461 99.419 -39.977 1.00 0.00 O ATOM 737 CB ALA A 47 113.426 98.124 -42.901 1.00 0.00 C ATOM 0 H ALA A 47 111.137 97.778 -43.761 1.00 0.00 H new ATOM 0 HA ALA A 47 112.316 97.266 -41.256 1.00 0.00 H new ATOM 0 HB1 ALA A 47 114.329 98.302 -42.317 1.00 0.00 H new ATOM 0 HB2 ALA A 47 113.514 97.172 -43.424 1.00 0.00 H new ATOM 0 HB3 ALA A 47 113.300 98.927 -43.628 1.00 0.00 H new ATOM 743 N VAL A 48 111.680 100.464 -41.838 1.00 0.00 N ATOM 744 CA VAL A 48 111.538 101.710 -41.089 1.00 0.00 C ATOM 745 C VAL A 48 110.482 101.585 -39.967 1.00 0.00 C ATOM 746 O VAL A 48 110.646 102.144 -38.893 1.00 0.00 O ATOM 747 CB VAL A 48 111.307 102.933 -41.999 1.00 0.00 C ATOM 748 CG1 VAL A 48 112.212 102.907 -43.231 1.00 0.00 C ATOM 749 CG2 VAL A 48 109.851 103.180 -42.410 1.00 0.00 C ATOM 0 H VAL A 48 111.426 100.491 -42.825 1.00 0.00 H new ATOM 0 HA VAL A 48 112.494 101.893 -40.599 1.00 0.00 H new ATOM 0 HB VAL A 48 111.578 103.779 -41.368 1.00 0.00 H new ATOM 0 HG11 VAL A 48 112.017 103.786 -43.845 1.00 0.00 H new ATOM 0 HG12 VAL A 48 113.256 102.909 -42.916 1.00 0.00 H new ATOM 0 HG13 VAL A 48 112.010 102.007 -43.812 1.00 0.00 H new ATOM 0 HG21 VAL A 48 109.798 104.062 -43.048 1.00 0.00 H new ATOM 0 HG22 VAL A 48 109.475 102.314 -42.955 1.00 0.00 H new ATOM 0 HG23 VAL A 48 109.243 103.339 -41.519 1.00 0.00 H new ATOM 759 N VAL A 49 109.408 100.832 -40.276 1.00 0.00 N ATOM 760 CA VAL A 49 108.271 100.688 -39.383 1.00 0.00 C ATOM 761 C VAL A 49 108.678 100.089 -38.021 1.00 0.00 C ATOM 762 O VAL A 49 108.241 100.543 -36.971 1.00 0.00 O ATOM 763 CB VAL A 49 107.222 99.806 -40.072 1.00 0.00 C ATOM 764 CG1 VAL A 49 106.031 99.544 -39.151 1.00 0.00 C ATOM 765 CG2 VAL A 49 106.769 100.416 -41.398 1.00 0.00 C ATOM 0 H VAL A 49 109.317 100.314 -41.150 1.00 0.00 H new ATOM 0 HA VAL A 49 107.857 101.675 -39.176 1.00 0.00 H new ATOM 0 HB VAL A 49 107.690 98.847 -40.292 1.00 0.00 H new ATOM 0 HG11 VAL A 49 105.304 98.916 -39.666 1.00 0.00 H new ATOM 0 HG12 VAL A 49 106.373 99.037 -38.249 1.00 0.00 H new ATOM 0 HG13 VAL A 49 105.565 100.491 -38.880 1.00 0.00 H new ATOM 0 HG21 VAL A 49 106.026 99.767 -41.862 1.00 0.00 H new ATOM 0 HG22 VAL A 49 106.331 101.398 -41.216 1.00 0.00 H new ATOM 0 HG23 VAL A 49 107.626 100.519 -42.063 1.00 0.00 H new ATOM 775 N ASN A 50 109.536 99.050 -38.105 1.00 0.00 N ATOM 776 CA ASN A 50 110.194 98.546 -36.912 1.00 0.00 C ATOM 777 C ASN A 50 110.934 99.656 -36.140 1.00 0.00 C ATOM 778 O ASN A 50 110.812 99.782 -34.928 1.00 0.00 O ATOM 779 CB ASN A 50 111.219 97.508 -37.364 1.00 0.00 C ATOM 780 CG ASN A 50 111.673 96.660 -36.176 1.00 0.00 C ATOM 781 OD1 ASN A 50 111.121 95.607 -35.879 1.00 0.00 O ATOM 782 ND2 ASN A 50 112.716 97.199 -35.523 1.00 0.00 N ATOM 0 H ASN A 50 109.776 98.564 -38.969 1.00 0.00 H new ATOM 0 HA ASN A 50 109.439 98.127 -36.246 1.00 0.00 H new ATOM 0 HB2 ASN A 50 110.784 96.868 -38.132 1.00 0.00 H new ATOM 0 HB3 ASN A 50 112.078 98.006 -37.813 1.00 0.00 H new ATOM 0 HD21 ASN A 50 113.109 96.725 -34.710 1.00 0.00 H new ATOM 0 HD22 ASN A 50 113.115 98.083 -35.840 1.00 0.00 H new ATOM 789 N SER A 51 111.699 100.446 -36.919 1.00 0.00 N ATOM 790 CA SER A 51 112.445 101.526 -36.289 1.00 0.00 C ATOM 791 C SER A 51 111.519 102.570 -35.629 1.00 0.00 C ATOM 792 O SER A 51 111.783 103.034 -34.527 1.00 0.00 O ATOM 793 CB SER A 51 113.351 102.201 -37.330 1.00 0.00 C ATOM 794 OG SER A 51 113.755 103.526 -37.005 1.00 0.00 O ATOM 0 H SER A 51 111.808 100.358 -37.929 1.00 0.00 H new ATOM 0 HA SER A 51 113.052 101.091 -35.495 1.00 0.00 H new ATOM 0 HB2 SER A 51 114.242 101.588 -37.466 1.00 0.00 H new ATOM 0 HB3 SER A 51 112.829 102.221 -38.286 1.00 0.00 H new ATOM 0 HG SER A 51 114.328 103.877 -37.718 1.00 0.00 H new ATOM 800 N ASN A 52 110.441 102.918 -36.359 1.00 0.00 N ATOM 801 CA ASN A 52 109.610 104.058 -36.018 1.00 0.00 C ATOM 802 C ASN A 52 108.811 103.866 -34.710 1.00 0.00 C ATOM 803 O ASN A 52 108.614 104.792 -33.935 1.00 0.00 O ATOM 804 CB ASN A 52 108.617 104.260 -37.160 1.00 0.00 C ATOM 805 CG ASN A 52 109.342 104.628 -38.463 1.00 0.00 C ATOM 806 OD1 ASN A 52 108.831 104.017 -39.547 1.00 0.00 O flip ATOM 807 ND2 ASN A 52 110.294 105.399 -38.477 1.00 0.00 N flip ATOM 0 H ASN A 52 110.135 102.414 -37.191 1.00 0.00 H new ATOM 0 HA ASN A 52 110.266 104.915 -35.868 1.00 0.00 H new ATOM 0 HB2 ASN A 52 108.037 103.349 -37.307 1.00 0.00 H new ATOM 0 HB3 ASN A 52 107.911 105.048 -36.898 1.00 0.00 H new ATOM 0 HD21 ASN A 52 110.621 105.822 -37.608 1.00 0.00 H new ATOM 0 HD22 ASN A 52 110.760 105.618 -39.358 1.00 0.00 H new ATOM 814 N ILE A 53 108.323 102.630 -34.533 1.00 0.00 N ATOM 815 CA ILE A 53 107.670 102.298 -33.283 1.00 0.00 C ATOM 816 C ILE A 53 108.669 102.291 -32.110 1.00 0.00 C ATOM 817 O ILE A 53 108.426 102.874 -31.061 1.00 0.00 O ATOM 818 CB ILE A 53 107.018 100.922 -33.412 1.00 0.00 C ATOM 819 CG1 ILE A 53 106.071 100.827 -34.612 1.00 0.00 C ATOM 820 CG2 ILE A 53 106.264 100.559 -32.136 1.00 0.00 C ATOM 821 CD1 ILE A 53 105.806 99.374 -34.992 1.00 0.00 C ATOM 0 H ILE A 53 108.370 101.876 -35.218 1.00 0.00 H new ATOM 0 HA ILE A 53 106.915 103.056 -33.074 1.00 0.00 H new ATOM 0 HB ILE A 53 107.829 100.212 -33.574 1.00 0.00 H new ATOM 0 HG12 ILE A 53 105.129 101.321 -34.375 1.00 0.00 H new ATOM 0 HG13 ILE A 53 106.503 101.355 -35.462 1.00 0.00 H new ATOM 0 HG21 ILE A 53 105.808 99.576 -32.250 1.00 0.00 H new ATOM 0 HG22 ILE A 53 106.958 100.542 -31.296 1.00 0.00 H new ATOM 0 HG23 ILE A 53 105.487 101.300 -31.949 1.00 0.00 H new ATOM 0 HD11 ILE A 53 105.131 99.339 -35.847 1.00 0.00 H new ATOM 0 HD12 ILE A 53 106.747 98.889 -35.253 1.00 0.00 H new ATOM 0 HD13 ILE A 53 105.351 98.854 -34.149 1.00 0.00 H new ATOM 833 N GLY A 54 109.792 101.586 -32.342 1.00 0.00 N ATOM 834 CA GLY A 54 110.817 101.536 -31.315 1.00 0.00 C ATOM 835 C GLY A 54 111.359 102.920 -30.921 1.00 0.00 C ATOM 836 O GLY A 54 111.583 103.203 -29.753 1.00 0.00 O ATOM 0 H GLY A 54 109.997 101.068 -33.197 1.00 0.00 H new ATOM 0 HA2 GLY A 54 110.409 101.049 -30.429 1.00 0.00 H new ATOM 0 HA3 GLY A 54 111.643 100.918 -31.667 1.00 0.00 H new ATOM 840 N VAL A 55 111.575 103.750 -31.953 1.00 0.00 N ATOM 841 CA VAL A 55 112.176 105.050 -31.699 1.00 0.00 C ATOM 842 C VAL A 55 111.238 105.992 -30.903 1.00 0.00 C ATOM 843 O VAL A 55 111.684 106.775 -30.075 1.00 0.00 O ATOM 844 CB VAL A 55 112.615 105.672 -33.024 1.00 0.00 C ATOM 845 CG1 VAL A 55 111.413 106.164 -33.806 1.00 0.00 C ATOM 846 CG2 VAL A 55 113.634 106.788 -32.811 1.00 0.00 C ATOM 0 H VAL A 55 111.351 103.550 -32.928 1.00 0.00 H new ATOM 0 HA VAL A 55 113.052 104.905 -31.067 1.00 0.00 H new ATOM 0 HB VAL A 55 113.108 104.897 -33.611 1.00 0.00 H new ATOM 0 HG11 VAL A 55 111.746 106.604 -34.746 1.00 0.00 H new ATOM 0 HG12 VAL A 55 110.746 105.327 -34.013 1.00 0.00 H new ATOM 0 HG13 VAL A 55 110.882 106.916 -33.222 1.00 0.00 H new ATOM 0 HG21 VAL A 55 113.923 107.206 -33.775 1.00 0.00 H new ATOM 0 HG22 VAL A 55 113.193 107.570 -32.194 1.00 0.00 H new ATOM 0 HG23 VAL A 55 114.515 106.386 -32.312 1.00 0.00 H new ATOM 856 N LEU A 56 109.923 105.881 -31.198 1.00 0.00 N ATOM 857 CA LEU A 56 108.933 106.414 -30.269 1.00 0.00 C ATOM 858 C LEU A 56 109.122 105.830 -28.850 1.00 0.00 C ATOM 859 O LEU A 56 109.153 106.554 -27.862 1.00 0.00 O ATOM 860 CB LEU A 56 107.556 105.997 -30.799 1.00 0.00 C ATOM 861 CG LEU A 56 106.989 106.917 -31.885 1.00 0.00 C ATOM 862 CD1 LEU A 56 108.060 107.633 -32.707 1.00 0.00 C ATOM 863 CD2 LEU A 56 106.101 106.109 -32.822 1.00 0.00 C ATOM 0 H LEU A 56 109.545 105.444 -32.039 1.00 0.00 H new ATOM 0 HA LEU A 56 109.037 107.497 -30.200 1.00 0.00 H new ATOM 0 HB2 LEU A 56 107.625 104.985 -31.198 1.00 0.00 H new ATOM 0 HB3 LEU A 56 106.854 105.964 -29.965 1.00 0.00 H new ATOM 0 HG LEU A 56 106.420 107.689 -31.367 1.00 0.00 H new ATOM 0 HD11 LEU A 56 107.582 108.266 -33.455 1.00 0.00 H new ATOM 0 HD12 LEU A 56 108.673 108.249 -32.049 1.00 0.00 H new ATOM 0 HD13 LEU A 56 108.690 106.896 -33.204 1.00 0.00 H new ATOM 0 HD21 LEU A 56 105.697 106.763 -33.595 1.00 0.00 H new ATOM 0 HD22 LEU A 56 106.688 105.317 -33.287 1.00 0.00 H new ATOM 0 HD23 LEU A 56 105.281 105.668 -32.256 1.00 0.00 H new ATOM 875 N ILE A 57 109.273 104.494 -28.804 1.00 0.00 N ATOM 876 CA ILE A 57 109.343 103.853 -27.498 1.00 0.00 C ATOM 877 C ILE A 57 110.562 104.333 -26.678 1.00 0.00 C ATOM 878 O ILE A 57 110.466 104.581 -25.483 1.00 0.00 O ATOM 879 CB ILE A 57 109.389 102.334 -27.674 1.00 0.00 C ATOM 880 CG1 ILE A 57 108.175 101.831 -28.471 1.00 0.00 C ATOM 881 CG2 ILE A 57 109.561 101.631 -26.322 1.00 0.00 C ATOM 882 CD1 ILE A 57 107.190 100.974 -27.676 1.00 0.00 C ATOM 0 H ILE A 57 109.345 103.875 -29.611 1.00 0.00 H new ATOM 0 HA ILE A 57 108.450 104.134 -26.940 1.00 0.00 H new ATOM 0 HB ILE A 57 110.267 102.077 -28.267 1.00 0.00 H new ATOM 0 HG12 ILE A 57 107.641 102.692 -28.873 1.00 0.00 H new ATOM 0 HG13 ILE A 57 108.533 101.252 -29.322 1.00 0.00 H new ATOM 0 HG21 ILE A 57 109.591 100.552 -26.474 1.00 0.00 H new ATOM 0 HG22 ILE A 57 110.491 101.958 -25.858 1.00 0.00 H new ATOM 0 HG23 ILE A 57 108.723 101.883 -25.672 1.00 0.00 H new ATOM 0 HD11 ILE A 57 106.369 100.668 -28.324 1.00 0.00 H new ATOM 0 HD12 ILE A 57 107.702 100.090 -27.296 1.00 0.00 H new ATOM 0 HD13 ILE A 57 106.796 101.553 -26.840 1.00 0.00 H new ATOM 894 N LYS A 58 111.700 104.445 -27.390 1.00 0.00 N ATOM 895 CA LYS A 58 112.947 104.795 -26.724 1.00 0.00 C ATOM 896 C LYS A 58 112.947 106.255 -26.202 1.00 0.00 C ATOM 897 O LYS A 58 113.643 106.587 -25.251 1.00 0.00 O ATOM 898 CB LYS A 58 114.115 104.517 -27.672 1.00 0.00 C ATOM 899 CG LYS A 58 114.426 105.661 -28.634 1.00 0.00 C ATOM 900 CD LYS A 58 115.685 105.336 -29.428 1.00 0.00 C ATOM 901 CE LYS A 58 116.135 106.506 -30.305 1.00 0.00 C ATOM 902 NZ LYS A 58 116.351 106.124 -31.696 1.00 0.00 N ATOM 0 H LYS A 58 111.772 104.301 -28.397 1.00 0.00 H new ATOM 0 HA LYS A 58 113.058 104.172 -25.836 1.00 0.00 H new ATOM 0 HB2 LYS A 58 115.005 104.302 -27.081 1.00 0.00 H new ATOM 0 HB3 LYS A 58 113.893 103.621 -28.251 1.00 0.00 H new ATOM 0 HG2 LYS A 58 113.587 105.817 -29.312 1.00 0.00 H new ATOM 0 HG3 LYS A 58 114.564 106.589 -28.079 1.00 0.00 H new ATOM 0 HD2 LYS A 58 116.488 105.071 -28.740 1.00 0.00 H new ATOM 0 HD3 LYS A 58 115.501 104.464 -30.055 1.00 0.00 H new ATOM 0 HE2 LYS A 58 115.384 107.295 -30.263 1.00 0.00 H new ATOM 0 HE3 LYS A 58 117.058 106.922 -29.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 116.169 106.941 -32.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 117.334 105.809 -31.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 115.704 105.349 -31.948 1.00 0.00 H new ATOM 916 N LYS A 59 112.134 107.091 -26.879 1.00 0.00 N ATOM 917 CA LYS A 59 111.855 108.420 -26.372 1.00 0.00 C ATOM 918 C LYS A 59 110.901 108.360 -25.161 1.00 0.00 C ATOM 919 O LYS A 59 111.141 108.976 -24.130 1.00 0.00 O ATOM 920 CB LYS A 59 111.192 109.214 -27.498 1.00 0.00 C ATOM 921 CG LYS A 59 112.120 109.430 -28.695 1.00 0.00 C ATOM 922 CD LYS A 59 111.338 109.767 -29.965 1.00 0.00 C ATOM 923 CE LYS A 59 112.264 109.992 -31.162 1.00 0.00 C ATOM 924 NZ LYS A 59 111.525 110.224 -32.397 1.00 0.00 N ATOM 0 H LYS A 59 111.674 106.862 -27.760 1.00 0.00 H new ATOM 0 HA LYS A 59 112.783 108.891 -26.047 1.00 0.00 H new ATOM 0 HB2 LYS A 59 110.296 108.689 -27.829 1.00 0.00 H new ATOM 0 HB3 LYS A 59 110.870 110.182 -27.114 1.00 0.00 H new ATOM 0 HG2 LYS A 59 112.818 110.237 -28.473 1.00 0.00 H new ATOM 0 HG3 LYS A 59 112.714 108.531 -28.861 1.00 0.00 H new ATOM 0 HD2 LYS A 59 110.644 108.957 -30.190 1.00 0.00 H new ATOM 0 HD3 LYS A 59 110.739 110.662 -29.796 1.00 0.00 H new ATOM 0 HE2 LYS A 59 112.911 110.846 -30.962 1.00 0.00 H new ATOM 0 HE3 LYS A 59 112.911 109.124 -31.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 112.015 110.945 -32.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 111.467 109.338 -32.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 110.565 110.555 -32.170 1.00 0.00 H new ATOM 938 N GLY A 60 109.812 107.586 -25.352 1.00 0.00 N ATOM 939 CA GLY A 60 108.493 108.146 -25.206 1.00 0.00 C ATOM 940 C GLY A 60 108.246 109.111 -26.361 1.00 0.00 C ATOM 941 O GLY A 60 108.695 110.250 -26.357 1.00 0.00 O ATOM 0 H GLY A 60 109.838 106.597 -25.601 1.00 0.00 H new ATOM 0 HA2 GLY A 60 107.743 107.355 -25.207 1.00 0.00 H new ATOM 0 HA3 GLY A 60 108.406 108.667 -24.252 1.00 0.00 H new ATOM 945 N LEU A 61 107.512 108.563 -27.346 1.00 0.00 N ATOM 946 CA LEU A 61 106.118 108.270 -27.132 1.00 0.00 C ATOM 947 C LEU A 61 105.706 107.243 -28.179 1.00 0.00 C ATOM 948 O LEU A 61 105.384 107.560 -29.318 1.00 0.00 O ATOM 949 CB LEU A 61 105.335 109.557 -27.401 1.00 0.00 C ATOM 950 CG LEU A 61 105.787 110.358 -28.639 1.00 0.00 C ATOM 951 CD1 LEU A 61 104.671 111.283 -29.087 1.00 0.00 C ATOM 952 CD2 LEU A 61 107.049 111.181 -28.397 1.00 0.00 C ATOM 0 H LEU A 61 107.867 108.325 -28.272 1.00 0.00 H new ATOM 0 HA LEU A 61 105.933 107.901 -26.123 1.00 0.00 H new ATOM 0 HB2 LEU A 61 104.281 109.304 -27.518 1.00 0.00 H new ATOM 0 HB3 LEU A 61 105.413 110.200 -26.524 1.00 0.00 H new ATOM 0 HG LEU A 61 106.021 109.627 -29.413 1.00 0.00 H new ATOM 0 HD11 LEU A 61 104.995 111.847 -29.962 1.00 0.00 H new ATOM 0 HD12 LEU A 61 103.790 110.694 -29.341 1.00 0.00 H new ATOM 0 HD13 LEU A 61 104.425 111.974 -28.281 1.00 0.00 H new ATOM 0 HD21 LEU A 61 107.312 111.720 -29.307 1.00 0.00 H new ATOM 0 HD22 LEU A 61 106.870 111.894 -27.592 1.00 0.00 H new ATOM 0 HD23 LEU A 61 107.868 110.518 -28.118 1.00 0.00 H new ATOM 964 N VAL A 62 105.713 105.988 -27.718 1.00 0.00 N ATOM 965 CA VAL A 62 104.567 105.183 -27.374 1.00 0.00 C ATOM 966 C VAL A 62 104.976 104.258 -26.217 1.00 0.00 C ATOM 967 O VAL A 62 106.135 103.877 -26.093 1.00 0.00 O ATOM 968 CB VAL A 62 104.156 104.382 -28.604 1.00 0.00 C ATOM 969 CG1 VAL A 62 105.274 103.445 -29.047 1.00 0.00 C ATOM 970 CG2 VAL A 62 102.861 103.612 -28.366 1.00 0.00 C ATOM 0 H VAL A 62 106.588 105.485 -27.570 1.00 0.00 H new ATOM 0 HA VAL A 62 103.720 105.793 -27.061 1.00 0.00 H new ATOM 0 HB VAL A 62 103.972 105.093 -29.409 1.00 0.00 H new ATOM 0 HG11 VAL A 62 104.953 102.886 -29.926 1.00 0.00 H new ATOM 0 HG12 VAL A 62 106.162 104.028 -29.291 1.00 0.00 H new ATOM 0 HG13 VAL A 62 105.507 102.750 -28.240 1.00 0.00 H new ATOM 0 HG21 VAL A 62 102.600 103.053 -29.265 1.00 0.00 H new ATOM 0 HG22 VAL A 62 102.997 102.920 -27.535 1.00 0.00 H new ATOM 0 HG23 VAL A 62 102.060 104.312 -28.128 1.00 0.00 H new ATOM 980 N GLU A 63 103.976 103.919 -25.386 1.00 0.00 N ATOM 981 CA GLU A 63 104.203 102.893 -24.374 1.00 0.00 C ATOM 982 C GLU A 63 103.532 101.574 -24.797 1.00 0.00 C ATOM 983 O GLU A 63 102.342 101.508 -25.070 1.00 0.00 O ATOM 984 CB GLU A 63 103.634 103.346 -23.031 1.00 0.00 C ATOM 985 CG GLU A 63 104.618 104.233 -22.265 1.00 0.00 C ATOM 986 CD GLU A 63 103.908 104.909 -21.090 1.00 0.00 C ATOM 987 OE1 GLU A 63 103.019 104.290 -20.505 1.00 0.00 O ATOM 988 OE2 GLU A 63 104.251 106.046 -20.771 1.00 0.00 O ATOM 0 H GLU A 63 103.041 104.326 -25.397 1.00 0.00 H new ATOM 0 HA GLU A 63 105.277 102.734 -24.275 1.00 0.00 H new ATOM 0 HB2 GLU A 63 102.705 103.892 -23.196 1.00 0.00 H new ATOM 0 HB3 GLU A 63 103.387 102.472 -22.428 1.00 0.00 H new ATOM 0 HG2 GLU A 63 105.452 103.634 -21.900 1.00 0.00 H new ATOM 0 HG3 GLU A 63 105.035 104.988 -22.932 1.00 0.00 H new ATOM 995 N LYS A 64 104.374 100.527 -24.817 1.00 0.00 N ATOM 996 CA LYS A 64 103.873 99.226 -25.192 1.00 0.00 C ATOM 997 C LYS A 64 103.177 98.578 -23.991 1.00 0.00 C ATOM 998 O LYS A 64 103.782 98.297 -22.962 1.00 0.00 O ATOM 999 CB LYS A 64 105.042 98.371 -25.665 1.00 0.00 C ATOM 1000 CG LYS A 64 104.620 96.927 -25.917 1.00 0.00 C ATOM 1001 CD LYS A 64 105.021 96.006 -24.765 1.00 0.00 C ATOM 1002 CE LYS A 64 105.083 94.541 -25.197 1.00 0.00 C ATOM 1003 NZ LYS A 64 106.041 94.319 -26.274 1.00 0.00 N ATOM 0 H LYS A 64 105.366 100.566 -24.585 1.00 0.00 H new ATOM 0 HA LYS A 64 103.146 99.317 -25.999 1.00 0.00 H new ATOM 0 HB2 LYS A 64 105.455 98.794 -26.581 1.00 0.00 H new ATOM 0 HB3 LYS A 64 105.835 98.393 -24.917 1.00 0.00 H new ATOM 0 HG2 LYS A 64 103.540 96.884 -26.057 1.00 0.00 H new ATOM 0 HG3 LYS A 64 105.076 96.572 -26.841 1.00 0.00 H new ATOM 0 HD2 LYS A 64 105.993 96.311 -24.379 1.00 0.00 H new ATOM 0 HD3 LYS A 64 104.306 96.113 -23.949 1.00 0.00 H new ATOM 0 HE2 LYS A 64 105.354 93.924 -24.340 1.00 0.00 H new ATOM 0 HE3 LYS A 64 104.094 94.219 -25.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 106.378 93.336 -26.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 105.581 94.498 -27.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 106.848 94.965 -26.160 1.00 0.00 H new ATOM 1017 N SER A 65 101.864 98.367 -24.204 1.00 0.00 N ATOM 1018 CA SER A 65 101.043 97.735 -23.180 1.00 0.00 C ATOM 1019 C SER A 65 100.562 96.376 -23.694 1.00 0.00 C ATOM 1020 O SER A 65 99.680 96.297 -24.541 1.00 0.00 O ATOM 1021 CB SER A 65 99.797 98.607 -22.936 1.00 0.00 C ATOM 1022 OG SER A 65 98.847 98.093 -22.008 1.00 0.00 O ATOM 0 H SER A 65 101.368 98.622 -25.058 1.00 0.00 H new ATOM 0 HA SER A 65 101.624 97.619 -22.265 1.00 0.00 H new ATOM 0 HB2 SER A 65 100.126 99.585 -22.585 1.00 0.00 H new ATOM 0 HB3 SER A 65 99.295 98.763 -23.891 1.00 0.00 H new ATOM 0 HG SER A 65 98.056 97.776 -22.492 1.00 0.00 H new ATOM 1028 N GLY A 66 101.173 95.319 -23.126 1.00 0.00 N ATOM 1029 CA GLY A 66 101.811 94.335 -23.988 1.00 0.00 C ATOM 1030 C GLY A 66 100.963 93.067 -24.081 1.00 0.00 C ATOM 1031 O GLY A 66 101.130 92.119 -23.324 1.00 0.00 O ATOM 0 H GLY A 66 101.233 95.138 -22.124 1.00 0.00 H new ATOM 0 HA2 GLY A 66 101.956 94.755 -24.983 1.00 0.00 H new ATOM 0 HA3 GLY A 66 102.799 94.090 -23.599 1.00 0.00 H new ATOM 1035 N ASP A 67 100.046 93.120 -25.063 1.00 0.00 N ATOM 1036 CA ASP A 67 100.454 93.025 -26.453 1.00 0.00 C ATOM 1037 C ASP A 67 99.495 93.833 -27.336 1.00 0.00 C ATOM 1038 O ASP A 67 98.803 93.294 -28.191 1.00 0.00 O ATOM 1039 CB ASP A 67 100.455 91.559 -26.895 1.00 0.00 C ATOM 1040 CG ASP A 67 99.091 90.882 -26.690 1.00 0.00 C ATOM 1041 OD1 ASP A 67 98.125 91.573 -26.364 1.00 0.00 O ATOM 1042 OD2 ASP A 67 99.013 89.667 -26.860 1.00 0.00 O ATOM 0 H ASP A 67 99.043 93.226 -24.914 1.00 0.00 H new ATOM 0 HA ASP A 67 101.460 93.431 -26.556 1.00 0.00 H new ATOM 0 HB2 ASP A 67 100.732 91.500 -27.948 1.00 0.00 H new ATOM 0 HB3 ASP A 67 101.215 91.014 -26.335 1.00 0.00 H new ATOM 1047 N GLY A 68 99.498 95.152 -27.064 1.00 0.00 N ATOM 1048 CA GLY A 68 99.594 96.121 -28.134 1.00 0.00 C ATOM 1049 C GLY A 68 100.294 97.387 -27.647 1.00 0.00 C ATOM 1050 O GLY A 68 100.590 97.558 -26.471 1.00 0.00 O ATOM 0 H GLY A 68 99.436 95.550 -26.127 1.00 0.00 H new ATOM 0 HA2 GLY A 68 100.145 95.693 -28.972 1.00 0.00 H new ATOM 0 HA3 GLY A 68 98.597 96.367 -28.500 1.00 0.00 H new ATOM 1054 N LEU A 69 100.534 98.259 -28.645 1.00 0.00 N ATOM 1055 CA LEU A 69 101.274 99.478 -28.396 1.00 0.00 C ATOM 1056 C LEU A 69 100.270 100.619 -28.251 1.00 0.00 C ATOM 1057 O LEU A 69 99.290 100.699 -28.980 1.00 0.00 O ATOM 1058 CB LEU A 69 102.226 99.733 -29.569 1.00 0.00 C ATOM 1059 CG LEU A 69 103.163 98.549 -29.849 1.00 0.00 C ATOM 1060 CD1 LEU A 69 104.455 99.024 -30.507 1.00 0.00 C ATOM 1061 CD2 LEU A 69 103.492 97.709 -28.612 1.00 0.00 C ATOM 0 H LEU A 69 100.226 98.132 -29.609 1.00 0.00 H new ATOM 0 HA LEU A 69 101.866 99.400 -27.484 1.00 0.00 H new ATOM 0 HB2 LEU A 69 101.642 99.947 -30.464 1.00 0.00 H new ATOM 0 HB3 LEU A 69 102.823 100.620 -29.359 1.00 0.00 H new ATOM 0 HG LEU A 69 102.613 97.899 -30.530 1.00 0.00 H new ATOM 0 HD11 LEU A 69 105.103 98.168 -30.696 1.00 0.00 H new ATOM 0 HD12 LEU A 69 104.223 99.518 -31.450 1.00 0.00 H new ATOM 0 HD13 LEU A 69 104.964 99.725 -29.846 1.00 0.00 H new ATOM 0 HD21 LEU A 69 104.158 96.893 -28.893 1.00 0.00 H new ATOM 0 HD22 LEU A 69 103.980 98.336 -27.866 1.00 0.00 H new ATOM 0 HD23 LEU A 69 102.572 97.299 -28.195 1.00 0.00 H new ATOM 1073 N ILE A 70 100.562 101.491 -27.266 1.00 0.00 N ATOM 1074 CA ILE A 70 99.631 102.580 -27.044 1.00 0.00 C ATOM 1075 C ILE A 70 100.364 103.756 -26.422 1.00 0.00 C ATOM 1076 O ILE A 70 101.326 103.606 -25.683 1.00 0.00 O ATOM 1077 CB ILE A 70 98.530 102.152 -26.081 1.00 0.00 C ATOM 1078 CG1 ILE A 70 99.095 101.625 -24.768 1.00 0.00 C ATOM 1079 CG2 ILE A 70 97.635 101.096 -26.707 1.00 0.00 C ATOM 1080 CD1 ILE A 70 98.023 101.630 -23.679 1.00 0.00 C ATOM 0 H ILE A 70 101.380 101.460 -26.657 1.00 0.00 H new ATOM 0 HA ILE A 70 99.196 102.859 -28.004 1.00 0.00 H new ATOM 0 HB ILE A 70 97.939 103.043 -25.868 1.00 0.00 H new ATOM 0 HG12 ILE A 70 99.473 100.612 -24.909 1.00 0.00 H new ATOM 0 HG13 ILE A 70 99.940 102.240 -24.457 1.00 0.00 H new ATOM 0 HG21 ILE A 70 96.859 100.810 -25.997 1.00 0.00 H new ATOM 0 HG22 ILE A 70 97.172 101.499 -27.608 1.00 0.00 H new ATOM 0 HG23 ILE A 70 98.231 100.221 -26.966 1.00 0.00 H new ATOM 0 HD11 ILE A 70 98.447 101.250 -22.749 1.00 0.00 H new ATOM 0 HD12 ILE A 70 97.665 102.648 -23.525 1.00 0.00 H new ATOM 0 HD13 ILE A 70 97.191 100.995 -23.984 1.00 0.00 H new ATOM 1092 N ILE A 71 99.839 104.942 -26.755 1.00 0.00 N ATOM 1093 CA ILE A 71 100.698 106.099 -26.663 1.00 0.00 C ATOM 1094 C ILE A 71 100.549 106.750 -25.292 1.00 0.00 C ATOM 1095 O ILE A 71 99.573 106.566 -24.575 1.00 0.00 O ATOM 1096 CB ILE A 71 100.353 107.067 -27.786 1.00 0.00 C ATOM 1097 CG1 ILE A 71 98.919 107.580 -27.620 1.00 0.00 C ATOM 1098 CG2 ILE A 71 100.605 106.393 -29.139 1.00 0.00 C ATOM 1099 CD1 ILE A 71 98.491 108.585 -28.690 1.00 0.00 C ATOM 0 H ILE A 71 98.883 105.110 -27.070 1.00 0.00 H new ATOM 0 HA ILE A 71 101.741 105.802 -26.774 1.00 0.00 H new ATOM 0 HB ILE A 71 100.998 107.944 -27.742 1.00 0.00 H new ATOM 0 HG12 ILE A 71 98.236 106.731 -27.639 1.00 0.00 H new ATOM 0 HG13 ILE A 71 98.822 108.045 -26.639 1.00 0.00 H new ATOM 0 HG21 ILE A 71 100.358 107.087 -29.943 1.00 0.00 H new ATOM 0 HG22 ILE A 71 101.655 106.110 -29.214 1.00 0.00 H new ATOM 0 HG23 ILE A 71 99.982 105.503 -29.224 1.00 0.00 H new ATOM 0 HD11 ILE A 71 97.465 108.900 -28.503 1.00 0.00 H new ATOM 0 HD12 ILE A 71 99.149 109.453 -28.658 1.00 0.00 H new ATOM 0 HD13 ILE A 71 98.554 108.119 -29.673 1.00 0.00 H new ATOM 1111 N THR A 72 101.602 107.526 -24.999 1.00 0.00 N ATOM 1112 CA THR A 72 101.643 108.269 -23.758 1.00 0.00 C ATOM 1113 C THR A 72 100.752 109.510 -23.886 1.00 0.00 C ATOM 1114 O THR A 72 100.184 109.797 -24.933 1.00 0.00 O ATOM 1115 CB THR A 72 103.084 108.728 -23.508 1.00 0.00 C ATOM 1116 OG1 THR A 72 103.420 109.813 -24.346 1.00 0.00 O ATOM 1117 CG2 THR A 72 104.127 107.615 -23.669 1.00 0.00 C ATOM 0 H THR A 72 102.417 107.647 -25.600 1.00 0.00 H new ATOM 0 HA THR A 72 101.295 107.641 -22.938 1.00 0.00 H new ATOM 0 HB THR A 72 103.111 109.039 -22.464 1.00 0.00 H new ATOM 0 HG1 THR A 72 103.799 109.474 -25.184 1.00 0.00 H new ATOM 0 HG21 THR A 72 105.121 108.018 -23.476 1.00 0.00 H new ATOM 0 HG22 THR A 72 103.916 106.814 -22.961 1.00 0.00 H new ATOM 0 HG23 THR A 72 104.086 107.222 -24.685 1.00 0.00 H new ATOM 1125 N GLY A 73 100.670 110.222 -22.748 1.00 0.00 N ATOM 1126 CA GLY A 73 100.194 111.596 -22.824 1.00 0.00 C ATOM 1127 C GLY A 73 100.969 112.462 -23.842 1.00 0.00 C ATOM 1128 O GLY A 73 100.384 113.296 -24.521 1.00 0.00 O ATOM 0 H GLY A 73 100.914 109.885 -21.817 1.00 0.00 H new ATOM 0 HA2 GLY A 73 99.138 111.592 -23.093 1.00 0.00 H new ATOM 0 HA3 GLY A 73 100.270 112.053 -21.838 1.00 0.00 H new ATOM 1132 N GLU A 74 102.301 112.232 -23.919 1.00 0.00 N ATOM 1133 CA GLU A 74 103.096 113.092 -24.788 1.00 0.00 C ATOM 1134 C GLU A 74 102.581 113.067 -26.238 1.00 0.00 C ATOM 1135 O GLU A 74 102.346 114.108 -26.837 1.00 0.00 O ATOM 1136 CB GLU A 74 104.577 112.705 -24.747 1.00 0.00 C ATOM 1137 CG GLU A 74 105.124 112.686 -23.320 1.00 0.00 C ATOM 1138 CD GLU A 74 105.108 111.265 -22.753 1.00 0.00 C ATOM 1139 OE1 GLU A 74 105.773 110.399 -23.320 1.00 0.00 O ATOM 1140 OE2 GLU A 74 104.430 111.039 -21.751 1.00 0.00 O ATOM 0 H GLU A 74 102.811 111.503 -23.420 1.00 0.00 H new ATOM 0 HA GLU A 74 102.993 114.109 -24.410 1.00 0.00 H new ATOM 0 HB2 GLU A 74 104.707 111.722 -25.198 1.00 0.00 H new ATOM 0 HB3 GLU A 74 105.153 113.410 -25.347 1.00 0.00 H new ATOM 0 HG2 GLU A 74 106.142 113.075 -23.310 1.00 0.00 H new ATOM 0 HG3 GLU A 74 104.526 113.342 -22.687 1.00 0.00 H new ATOM 1147 N ALA A 75 102.386 111.832 -26.750 1.00 0.00 N ATOM 1148 CA ALA A 75 101.743 111.706 -28.053 1.00 0.00 C ATOM 1149 C ALA A 75 100.360 112.371 -28.060 1.00 0.00 C ATOM 1150 O ALA A 75 100.040 113.141 -28.952 1.00 0.00 O ATOM 1151 CB ALA A 75 101.583 110.225 -28.420 1.00 0.00 C ATOM 0 H ALA A 75 102.653 110.956 -26.300 1.00 0.00 H new ATOM 0 HA ALA A 75 102.378 112.207 -28.784 1.00 0.00 H new ATOM 0 HB1 ALA A 75 101.102 110.142 -29.395 1.00 0.00 H new ATOM 0 HB2 ALA A 75 102.564 109.751 -28.458 1.00 0.00 H new ATOM 0 HB3 ALA A 75 100.969 109.728 -27.669 1.00 0.00 H new ATOM 1157 N GLN A 76 99.577 112.065 -27.010 1.00 0.00 N ATOM 1158 CA GLN A 76 98.200 112.533 -27.002 1.00 0.00 C ATOM 1159 C GLN A 76 98.084 114.064 -27.205 1.00 0.00 C ATOM 1160 O GLN A 76 97.154 114.541 -27.844 1.00 0.00 O ATOM 1161 CB GLN A 76 97.591 112.147 -25.657 1.00 0.00 C ATOM 1162 CG GLN A 76 97.192 110.673 -25.609 1.00 0.00 C ATOM 1163 CD GLN A 76 96.956 110.246 -24.159 1.00 0.00 C ATOM 1164 OE1 GLN A 76 97.619 109.364 -23.628 1.00 0.00 O ATOM 1165 NE2 GLN A 76 95.965 110.933 -23.562 1.00 0.00 N ATOM 0 H GLN A 76 99.865 111.521 -26.197 1.00 0.00 H new ATOM 0 HA GLN A 76 97.671 112.070 -27.835 1.00 0.00 H new ATOM 0 HB2 GLN A 76 98.308 112.354 -24.862 1.00 0.00 H new ATOM 0 HB3 GLN A 76 96.714 112.766 -25.465 1.00 0.00 H new ATOM 0 HG2 GLN A 76 96.288 110.512 -26.197 1.00 0.00 H new ATOM 0 HG3 GLN A 76 97.975 110.060 -26.055 1.00 0.00 H new ATOM 0 HE21 GLN A 76 95.461 111.654 -24.078 1.00 0.00 H new ATOM 0 HE22 GLN A 76 95.717 110.733 -22.593 1.00 0.00 H new ATOM 1174 N ASP A 77 99.063 114.799 -26.639 1.00 0.00 N ATOM 1175 CA ASP A 77 99.112 116.229 -26.890 1.00 0.00 C ATOM 1176 C ASP A 77 99.443 116.528 -28.364 1.00 0.00 C ATOM 1177 O ASP A 77 98.820 117.372 -28.997 1.00 0.00 O ATOM 1178 CB ASP A 77 100.172 116.859 -25.988 1.00 0.00 C ATOM 1179 CG ASP A 77 99.876 118.347 -25.790 1.00 0.00 C ATOM 1180 OD1 ASP A 77 98.823 118.669 -25.239 1.00 0.00 O ATOM 1181 OD2 ASP A 77 100.700 119.167 -26.190 1.00 0.00 O ATOM 0 H ASP A 77 99.796 114.433 -26.031 1.00 0.00 H new ATOM 0 HA ASP A 77 98.131 116.652 -26.673 1.00 0.00 H new ATOM 0 HB2 ASP A 77 100.188 116.352 -25.023 1.00 0.00 H new ATOM 0 HB3 ASP A 77 101.160 116.732 -26.431 1.00 0.00 H new ATOM 1186 N ILE A 78 100.454 115.789 -28.868 1.00 0.00 N ATOM 1187 CA ILE A 78 100.916 116.038 -30.220 1.00 0.00 C ATOM 1188 C ILE A 78 99.808 115.761 -31.255 1.00 0.00 C ATOM 1189 O ILE A 78 99.577 116.553 -32.158 1.00 0.00 O ATOM 1190 CB ILE A 78 102.125 115.128 -30.478 1.00 0.00 C ATOM 1191 CG1 ILE A 78 103.321 115.449 -29.570 1.00 0.00 C ATOM 1192 CG2 ILE A 78 102.549 115.130 -31.950 1.00 0.00 C ATOM 1193 CD1 ILE A 78 103.351 116.886 -29.038 1.00 0.00 C ATOM 0 H ILE A 78 100.941 115.045 -28.369 1.00 0.00 H new ATOM 0 HA ILE A 78 101.194 117.087 -30.323 1.00 0.00 H new ATOM 0 HB ILE A 78 101.789 114.122 -30.226 1.00 0.00 H new ATOM 0 HG12 ILE A 78 103.312 114.762 -28.724 1.00 0.00 H new ATOM 0 HG13 ILE A 78 104.241 115.261 -30.123 1.00 0.00 H new ATOM 0 HG21 ILE A 78 103.408 114.472 -32.082 1.00 0.00 H new ATOM 0 HG22 ILE A 78 101.723 114.777 -32.567 1.00 0.00 H new ATOM 0 HG23 ILE A 78 102.819 116.143 -32.250 1.00 0.00 H new ATOM 0 HD11 ILE A 78 104.229 117.022 -28.407 1.00 0.00 H new ATOM 0 HD12 ILE A 78 103.394 117.583 -29.875 1.00 0.00 H new ATOM 0 HD13 ILE A 78 102.451 117.076 -28.453 1.00 0.00 H new ATOM 1205 N ILE A 79 99.157 114.596 -31.078 1.00 0.00 N ATOM 1206 CA ILE A 79 98.133 114.184 -32.020 1.00 0.00 C ATOM 1207 C ILE A 79 96.923 115.131 -32.010 1.00 0.00 C ATOM 1208 O ILE A 79 96.421 115.527 -33.054 1.00 0.00 O ATOM 1209 CB ILE A 79 97.633 112.790 -31.638 1.00 0.00 C ATOM 1210 CG1 ILE A 79 98.750 111.768 -31.405 1.00 0.00 C ATOM 1211 CG2 ILE A 79 96.623 112.289 -32.666 1.00 0.00 C ATOM 1212 CD1 ILE A 79 100.004 112.025 -32.239 1.00 0.00 C ATOM 0 H ILE A 79 99.325 113.947 -30.309 1.00 0.00 H new ATOM 0 HA ILE A 79 98.581 114.196 -33.013 1.00 0.00 H new ATOM 0 HB ILE A 79 97.139 112.895 -30.672 1.00 0.00 H new ATOM 0 HG12 ILE A 79 99.020 111.773 -30.349 1.00 0.00 H new ATOM 0 HG13 ILE A 79 98.371 110.772 -31.633 1.00 0.00 H new ATOM 0 HG21 ILE A 79 96.276 111.296 -32.381 1.00 0.00 H new ATOM 0 HG22 ILE A 79 95.775 112.972 -32.706 1.00 0.00 H new ATOM 0 HG23 ILE A 79 97.096 112.240 -33.647 1.00 0.00 H new ATOM 0 HD11 ILE A 79 100.750 111.261 -32.020 1.00 0.00 H new ATOM 0 HD12 ILE A 79 99.750 111.990 -33.298 1.00 0.00 H new ATOM 0 HD13 ILE A 79 100.408 113.007 -31.995 1.00 0.00 H new ATOM 1224 N SER A 80 96.473 115.461 -30.782 1.00 0.00 N ATOM 1225 CA SER A 80 95.346 116.376 -30.686 1.00 0.00 C ATOM 1226 C SER A 80 95.643 117.731 -31.354 1.00 0.00 C ATOM 1227 O SER A 80 94.840 118.250 -32.119 1.00 0.00 O ATOM 1228 CB SER A 80 95.000 116.585 -29.204 1.00 0.00 C ATOM 1229 OG SER A 80 94.913 115.401 -28.420 1.00 0.00 O ATOM 0 H SER A 80 96.854 115.125 -29.898 1.00 0.00 H new ATOM 0 HA SER A 80 94.501 115.935 -31.215 1.00 0.00 H new ATOM 0 HB2 SER A 80 95.753 117.237 -28.762 1.00 0.00 H new ATOM 0 HB3 SER A 80 94.047 117.111 -29.143 1.00 0.00 H new ATOM 0 HG SER A 80 95.754 115.268 -27.934 1.00 0.00 H new ATOM 1235 N ASN A 81 96.834 118.268 -31.027 1.00 0.00 N ATOM 1236 CA ASN A 81 97.180 119.554 -31.613 1.00 0.00 C ATOM 1237 C ASN A 81 97.400 119.447 -33.135 1.00 0.00 C ATOM 1238 O ASN A 81 96.920 120.268 -33.907 1.00 0.00 O ATOM 1239 CB ASN A 81 98.445 120.103 -30.947 1.00 0.00 C ATOM 1240 CG ASN A 81 98.407 121.633 -30.948 1.00 0.00 C ATOM 1241 OD1 ASN A 81 98.950 122.294 -31.825 1.00 0.00 O ATOM 1242 ND2 ASN A 81 97.729 122.144 -29.904 1.00 0.00 N ATOM 0 H ASN A 81 97.526 117.856 -30.401 1.00 0.00 H new ATOM 0 HA ASN A 81 96.345 120.233 -31.442 1.00 0.00 H new ATOM 0 HB2 ASN A 81 98.519 119.732 -29.925 1.00 0.00 H new ATOM 0 HB3 ASN A 81 99.329 119.751 -31.479 1.00 0.00 H new ATOM 0 HD21 ASN A 81 97.638 123.155 -29.800 1.00 0.00 H new ATOM 0 HD22 ASN A 81 97.306 121.521 -29.216 1.00 0.00 H new ATOM 1249 N ALA A 82 98.153 118.396 -33.516 1.00 0.00 N ATOM 1250 CA ALA A 82 98.533 118.261 -34.914 1.00 0.00 C ATOM 1251 C ALA A 82 97.319 118.000 -35.818 1.00 0.00 C ATOM 1252 O ALA A 82 97.152 118.627 -36.853 1.00 0.00 O ATOM 1253 CB ALA A 82 99.514 117.110 -35.069 1.00 0.00 C ATOM 0 H ALA A 82 98.493 117.661 -32.895 1.00 0.00 H new ATOM 0 HA ALA A 82 98.991 119.202 -35.219 1.00 0.00 H new ATOM 0 HB1 ALA A 82 99.797 117.011 -36.117 1.00 0.00 H new ATOM 0 HB2 ALA A 82 100.403 117.307 -34.470 1.00 0.00 H new ATOM 0 HB3 ALA A 82 99.046 116.185 -34.731 1.00 0.00 H new