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 137:sc= -0.716 USER MOD Single : A 12 ASN : amide:sc= -0.246 X(o=-0.25,f=-0.042) USER MOD Single : A 16 ASN : amide:sc= -0.717 K(o=-0.72,f=-9.3!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -147:sc= -0.947 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 55:sc= -0.215! USER MOD Single : A 28 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.476) USER MOD Single : A 29 LYS NZ :NH3+ 173:sc= 0.0765 (180deg=0.0211) USER MOD Single : A 33 THR OG1 : rot -81:sc= -2.11! USER MOD Single : A 46 ASN : amide:sc= -1.03 X(o=-1,f=-0.83) USER MOD Single : A 50 ASN : amide:sc= -0.167 K(o=-0.17,f=-1.6!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -5.66! K(o=-5.7!,f=-3.1) USER MOD Single : A 58 LYS NZ :NH3+ -146:sc= -1.66 (180deg=-2.71!) USER MOD Single : A 59 LYS NZ :NH3+ -159:sc= -2.55! (180deg=-3.83!) USER MOD Single : A 64 LYS NZ :NH3+ 153:sc= -0.0661 (180deg=-0.474) USER MOD Single : A 65 SER OG : rot -111:sc= 1.2 USER MOD Single : A 72 THR OG1 : rot -110:sc= -1.77 USER MOD Single : A 76 GLN : amide:sc=-0.00727 X(o=-0.0073,f=0) USER MOD Single : A 80 SER OG : rot 104:sc= 1.11 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 53 N VAL A 4 100.976 114.268 -41.416 1.00 0.00 N ATOM 54 CA VAL A 4 102.192 113.926 -40.689 1.00 0.00 C ATOM 55 C VAL A 4 103.137 115.134 -40.514 1.00 0.00 C ATOM 56 O VAL A 4 103.766 115.297 -39.480 1.00 0.00 O ATOM 57 CB VAL A 4 102.931 112.808 -41.422 1.00 0.00 C ATOM 58 CG1 VAL A 4 102.060 111.563 -41.602 1.00 0.00 C ATOM 59 CG2 VAL A 4 103.486 113.296 -42.756 1.00 0.00 C ATOM 0 HA VAL A 4 101.891 113.598 -39.694 1.00 0.00 H new ATOM 0 HB VAL A 4 103.774 112.517 -40.795 1.00 0.00 H new ATOM 0 HG11 VAL A 4 102.627 110.795 -42.128 1.00 0.00 H new ATOM 0 HG12 VAL A 4 101.758 111.186 -40.625 1.00 0.00 H new ATOM 0 HG13 VAL A 4 101.173 111.820 -42.182 1.00 0.00 H new ATOM 0 HG21 VAL A 4 104.007 112.478 -43.254 1.00 0.00 H new ATOM 0 HG22 VAL A 4 102.667 113.642 -43.386 1.00 0.00 H new ATOM 0 HG23 VAL A 4 104.182 114.117 -42.582 1.00 0.00 H new ATOM 69 N THR A 5 103.221 115.966 -41.566 1.00 0.00 N ATOM 70 CA THR A 5 104.058 117.148 -41.449 1.00 0.00 C ATOM 71 C THR A 5 103.619 118.052 -40.272 1.00 0.00 C ATOM 72 O THR A 5 104.448 118.618 -39.569 1.00 0.00 O ATOM 73 CB THR A 5 103.919 117.949 -42.751 1.00 0.00 C ATOM 74 OG1 THR A 5 104.175 117.160 -43.897 1.00 0.00 O ATOM 75 CG2 THR A 5 104.728 119.248 -42.719 1.00 0.00 C ATOM 0 H THR A 5 102.743 115.845 -42.459 1.00 0.00 H new ATOM 0 HA THR A 5 105.085 116.832 -41.267 1.00 0.00 H new ATOM 0 HB THR A 5 102.874 118.250 -42.828 1.00 0.00 H new ATOM 0 HG1 THR A 5 104.073 117.710 -44.702 1.00 0.00 H new ATOM 0 HG21 THR A 5 104.599 119.781 -43.661 1.00 0.00 H new ATOM 0 HG22 THR A 5 104.379 119.874 -41.898 1.00 0.00 H new ATOM 0 HG23 THR A 5 105.783 119.016 -42.575 1.00 0.00 H new ATOM 83 N TYR A 6 102.286 118.152 -40.100 1.00 0.00 N ATOM 84 CA TYR A 6 101.755 118.809 -38.916 1.00 0.00 C ATOM 85 C TYR A 6 102.147 118.081 -37.616 1.00 0.00 C ATOM 86 O TYR A 6 102.390 118.728 -36.610 1.00 0.00 O ATOM 87 CB TYR A 6 100.230 118.980 -39.000 1.00 0.00 C ATOM 88 CG TYR A 6 99.828 119.965 -40.071 1.00 0.00 C ATOM 89 CD1 TYR A 6 100.369 121.276 -40.068 1.00 0.00 C ATOM 90 CD2 TYR A 6 98.936 119.593 -41.111 1.00 0.00 C ATOM 91 CE1 TYR A 6 100.082 122.179 -41.119 1.00 0.00 C ATOM 92 CE2 TYR A 6 98.638 120.496 -42.161 1.00 0.00 C ATOM 93 CZ TYR A 6 99.237 121.779 -42.184 1.00 0.00 C ATOM 94 OH TYR A 6 99.021 122.619 -43.260 1.00 0.00 O ATOM 0 H TYR A 6 101.586 117.795 -40.750 1.00 0.00 H new ATOM 0 HA TYR A 6 102.209 119.799 -38.886 1.00 0.00 H new ATOM 0 HB2 TYR A 6 99.768 118.014 -39.204 1.00 0.00 H new ATOM 0 HB3 TYR A 6 99.850 119.318 -38.036 1.00 0.00 H new ATOM 0 HD1 TYR A 6 101.007 121.589 -39.255 1.00 0.00 H new ATOM 0 HD2 TYR A 6 98.481 118.614 -41.102 1.00 0.00 H new ATOM 0 HE1 TYR A 6 100.507 123.172 -41.110 1.00 0.00 H new ATOM 0 HE2 TYR A 6 97.954 120.206 -42.944 1.00 0.00 H new ATOM 0 HH TYR A 6 98.417 122.185 -43.898 1.00 0.00 H new ATOM 104 N ILE A 7 102.173 116.729 -37.655 1.00 0.00 N ATOM 105 CA ILE A 7 102.681 116.016 -36.484 1.00 0.00 C ATOM 106 C ILE A 7 104.122 116.440 -36.139 1.00 0.00 C ATOM 107 O ILE A 7 104.452 116.726 -34.995 1.00 0.00 O ATOM 108 CB ILE A 7 102.635 114.504 -36.723 1.00 0.00 C ATOM 109 CG1 ILE A 7 101.209 114.035 -36.991 1.00 0.00 C ATOM 110 CG2 ILE A 7 103.244 113.731 -35.549 1.00 0.00 C ATOM 111 CD1 ILE A 7 100.398 113.993 -35.702 1.00 0.00 C ATOM 0 H ILE A 7 101.867 116.149 -38.436 1.00 0.00 H new ATOM 0 HA ILE A 7 102.040 116.274 -35.641 1.00 0.00 H new ATOM 0 HB ILE A 7 103.237 114.296 -37.608 1.00 0.00 H new ATOM 0 HG12 ILE A 7 100.730 114.705 -37.705 1.00 0.00 H new ATOM 0 HG13 ILE A 7 101.227 113.045 -37.446 1.00 0.00 H new ATOM 0 HG21 ILE A 7 103.194 112.661 -35.753 1.00 0.00 H new ATOM 0 HG22 ILE A 7 104.285 114.028 -35.419 1.00 0.00 H new ATOM 0 HG23 ILE A 7 102.687 113.953 -34.639 1.00 0.00 H new ATOM 0 HD11 ILE A 7 99.385 113.655 -35.920 1.00 0.00 H new ATOM 0 HD12 ILE A 7 100.867 113.304 -35.000 1.00 0.00 H new ATOM 0 HD13 ILE A 7 100.361 114.990 -35.262 1.00 0.00 H new ATOM 123 N ILE A 8 104.947 116.455 -37.201 1.00 0.00 N ATOM 124 CA ILE A 8 106.317 116.918 -37.060 1.00 0.00 C ATOM 125 C ILE A 8 106.379 118.349 -36.475 1.00 0.00 C ATOM 126 O ILE A 8 107.220 118.653 -35.637 1.00 0.00 O ATOM 127 CB ILE A 8 106.997 116.888 -38.435 1.00 0.00 C ATOM 128 CG1 ILE A 8 106.934 115.498 -39.083 1.00 0.00 C ATOM 129 CG2 ILE A 8 108.444 117.366 -38.333 1.00 0.00 C ATOM 130 CD1 ILE A 8 107.178 115.558 -40.592 1.00 0.00 C ATOM 0 H ILE A 8 104.687 116.157 -38.141 1.00 0.00 H new ATOM 0 HA ILE A 8 106.835 116.256 -36.366 1.00 0.00 H new ATOM 0 HB ILE A 8 106.445 117.571 -39.080 1.00 0.00 H new ATOM 0 HG12 ILE A 8 107.678 114.849 -38.621 1.00 0.00 H new ATOM 0 HG13 ILE A 8 105.958 115.052 -38.891 1.00 0.00 H new ATOM 0 HG21 ILE A 8 108.907 117.337 -39.319 1.00 0.00 H new ATOM 0 HG22 ILE A 8 108.464 118.387 -37.953 1.00 0.00 H new ATOM 0 HG23 ILE A 8 108.995 116.715 -37.654 1.00 0.00 H new ATOM 0 HD11 ILE A 8 107.124 114.553 -41.009 1.00 0.00 H new ATOM 0 HD12 ILE A 8 106.419 116.186 -41.059 1.00 0.00 H new ATOM 0 HD13 ILE A 8 108.165 115.979 -40.785 1.00 0.00 H new ATOM 142 N LYS A 9 105.447 119.197 -36.958 1.00 0.00 N ATOM 143 CA LYS A 9 105.336 120.538 -36.411 1.00 0.00 C ATOM 144 C LYS A 9 104.935 120.515 -34.923 1.00 0.00 C ATOM 145 O LYS A 9 105.572 121.137 -34.080 1.00 0.00 O ATOM 146 CB LYS A 9 104.259 121.284 -37.200 1.00 0.00 C ATOM 147 CG LYS A 9 104.417 122.800 -37.105 1.00 0.00 C ATOM 148 CD LYS A 9 105.126 123.374 -38.332 1.00 0.00 C ATOM 149 CE LYS A 9 106.447 122.659 -38.615 1.00 0.00 C ATOM 150 NZ LYS A 9 107.180 123.261 -39.723 1.00 0.00 N ATOM 0 H LYS A 9 104.786 118.974 -37.702 1.00 0.00 H new ATOM 0 HA LYS A 9 106.306 121.030 -36.491 1.00 0.00 H new ATOM 0 HB2 LYS A 9 104.303 120.981 -38.246 1.00 0.00 H new ATOM 0 HB3 LYS A 9 103.275 120.999 -36.827 1.00 0.00 H new ATOM 0 HG2 LYS A 9 103.435 123.262 -37.003 1.00 0.00 H new ATOM 0 HG3 LYS A 9 104.982 123.051 -36.208 1.00 0.00 H new ATOM 0 HD2 LYS A 9 104.474 123.288 -39.201 1.00 0.00 H new ATOM 0 HD3 LYS A 9 105.314 124.437 -38.178 1.00 0.00 H new ATOM 0 HE2 LYS A 9 107.067 122.680 -37.719 1.00 0.00 H new ATOM 0 HE3 LYS A 9 106.249 121.611 -38.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 108.068 122.741 -39.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 106.601 123.218 -40.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 107.395 124.254 -39.499 1.00 0.00 H new ATOM 164 N ALA A 10 103.848 119.762 -34.660 1.00 0.00 N ATOM 165 CA ALA A 10 103.176 119.874 -33.375 1.00 0.00 C ATOM 166 C ALA A 10 104.047 119.303 -32.245 1.00 0.00 C ATOM 167 O ALA A 10 104.202 119.910 -31.191 1.00 0.00 O ATOM 168 CB ALA A 10 101.839 119.128 -33.421 1.00 0.00 C ATOM 0 H ALA A 10 103.435 119.091 -35.308 1.00 0.00 H new ATOM 0 HA ALA A 10 103.000 120.931 -33.174 1.00 0.00 H new ATOM 0 HB1 ALA A 10 101.340 119.215 -32.456 1.00 0.00 H new ATOM 0 HB2 ALA A 10 101.207 119.561 -34.196 1.00 0.00 H new ATOM 0 HB3 ALA A 10 102.017 118.076 -33.644 1.00 0.00 H new ATOM 174 N SER A 11 104.603 118.105 -32.528 1.00 0.00 N ATOM 175 CA SER A 11 105.547 117.509 -31.602 1.00 0.00 C ATOM 176 C SER A 11 106.679 118.477 -31.204 1.00 0.00 C ATOM 177 O SER A 11 107.012 118.622 -30.035 1.00 0.00 O ATOM 178 CB SER A 11 106.148 116.247 -32.238 1.00 0.00 C ATOM 179 OG SER A 11 107.288 115.734 -31.563 1.00 0.00 O ATOM 0 H SER A 11 104.413 117.558 -33.367 1.00 0.00 H new ATOM 0 HA SER A 11 105.003 117.260 -30.691 1.00 0.00 H new ATOM 0 HB2 SER A 11 105.382 115.472 -32.272 1.00 0.00 H new ATOM 0 HB3 SER A 11 106.422 116.470 -33.269 1.00 0.00 H new ATOM 0 HG SER A 11 107.220 114.758 -31.501 1.00 0.00 H new ATOM 185 N ASN A 12 107.232 119.107 -32.266 1.00 0.00 N ATOM 186 CA ASN A 12 108.332 120.064 -32.190 1.00 0.00 C ATOM 187 C ASN A 12 109.612 119.433 -32.737 1.00 0.00 C ATOM 188 O ASN A 12 110.586 119.225 -32.026 1.00 0.00 O ATOM 189 CB ASN A 12 108.580 120.591 -30.774 1.00 0.00 C ATOM 190 CG ASN A 12 109.457 121.844 -30.823 1.00 0.00 C ATOM 191 OD1 ASN A 12 110.550 121.891 -30.274 1.00 0.00 O ATOM 192 ND2 ASN A 12 108.898 122.849 -31.521 1.00 0.00 N ATOM 0 H ASN A 12 106.908 118.951 -33.221 1.00 0.00 H new ATOM 0 HA ASN A 12 108.041 120.920 -32.799 1.00 0.00 H new ATOM 0 HB2 ASN A 12 107.630 120.822 -30.292 1.00 0.00 H new ATOM 0 HB3 ASN A 12 109.064 119.822 -30.172 1.00 0.00 H new ATOM 0 HD21 ASN A 12 109.392 123.735 -31.624 1.00 0.00 H new ATOM 0 HD22 ASN A 12 107.980 122.725 -31.948 1.00 0.00 H new ATOM 199 N ASP A 13 109.536 119.146 -34.051 1.00 0.00 N ATOM 200 CA ASP A 13 110.719 118.658 -34.751 1.00 0.00 C ATOM 201 C ASP A 13 111.379 117.471 -34.023 1.00 0.00 C ATOM 202 O ASP A 13 112.587 117.436 -33.822 1.00 0.00 O ATOM 203 CB ASP A 13 111.727 119.796 -34.906 1.00 0.00 C ATOM 204 CG ASP A 13 112.610 119.546 -36.130 1.00 0.00 C ATOM 205 OD1 ASP A 13 112.071 119.453 -37.232 1.00 0.00 O ATOM 206 OD2 ASP A 13 113.825 119.446 -35.967 1.00 0.00 O ATOM 0 H ASP A 13 108.697 119.242 -34.623 1.00 0.00 H new ATOM 0 HA ASP A 13 110.400 118.302 -35.731 1.00 0.00 H new ATOM 0 HB2 ASP A 13 111.203 120.746 -35.013 1.00 0.00 H new ATOM 0 HB3 ASP A 13 112.344 119.871 -34.011 1.00 0.00 H new ATOM 211 N VAL A 14 110.511 116.510 -33.645 1.00 0.00 N ATOM 212 CA VAL A 14 110.974 115.154 -33.404 1.00 0.00 C ATOM 213 C VAL A 14 110.807 114.327 -34.684 1.00 0.00 C ATOM 214 O VAL A 14 111.768 113.855 -35.277 1.00 0.00 O ATOM 215 CB VAL A 14 110.159 114.555 -32.255 1.00 0.00 C ATOM 216 CG1 VAL A 14 110.375 113.047 -32.118 1.00 0.00 C ATOM 217 CG2 VAL A 14 110.479 115.264 -30.938 1.00 0.00 C ATOM 0 H VAL A 14 109.511 116.655 -33.506 1.00 0.00 H new ATOM 0 HA VAL A 14 112.029 115.151 -33.129 1.00 0.00 H new ATOM 0 HB VAL A 14 109.107 114.711 -32.493 1.00 0.00 H new ATOM 0 HG11 VAL A 14 109.776 112.667 -31.290 1.00 0.00 H new ATOM 0 HG12 VAL A 14 110.074 112.551 -33.041 1.00 0.00 H new ATOM 0 HG13 VAL A 14 111.429 112.846 -31.926 1.00 0.00 H new ATOM 0 HG21 VAL A 14 109.889 114.823 -30.135 1.00 0.00 H new ATOM 0 HG22 VAL A 14 111.540 115.152 -30.713 1.00 0.00 H new ATOM 0 HG23 VAL A 14 110.237 116.323 -31.027 1.00 0.00 H new ATOM 227 N LEU A 15 109.521 114.190 -35.062 1.00 0.00 N ATOM 228 CA LEU A 15 109.194 113.198 -36.068 1.00 0.00 C ATOM 229 C LEU A 15 109.885 113.549 -37.388 1.00 0.00 C ATOM 230 O LEU A 15 110.458 114.618 -37.562 1.00 0.00 O ATOM 231 CB LEU A 15 107.680 113.137 -36.290 1.00 0.00 C ATOM 232 CG LEU A 15 106.878 112.703 -35.062 1.00 0.00 C ATOM 233 CD1 LEU A 15 107.358 111.367 -34.502 1.00 0.00 C ATOM 234 CD2 LEU A 15 106.860 113.778 -33.982 1.00 0.00 C ATOM 0 H LEU A 15 108.736 114.731 -34.699 1.00 0.00 H new ATOM 0 HA LEU A 15 109.541 112.225 -35.719 1.00 0.00 H new ATOM 0 HB2 LEU A 15 107.332 114.120 -36.607 1.00 0.00 H new ATOM 0 HB3 LEU A 15 107.472 112.446 -37.107 1.00 0.00 H new ATOM 0 HG LEU A 15 105.852 112.562 -35.401 1.00 0.00 H new ATOM 0 HD11 LEU A 15 106.759 111.101 -33.631 1.00 0.00 H new ATOM 0 HD12 LEU A 15 107.254 110.595 -35.264 1.00 0.00 H new ATOM 0 HD13 LEU A 15 108.405 111.450 -34.210 1.00 0.00 H new ATOM 0 HD21 LEU A 15 106.279 113.427 -33.129 1.00 0.00 H new ATOM 0 HD22 LEU A 15 107.880 113.991 -33.664 1.00 0.00 H new ATOM 0 HD23 LEU A 15 106.407 114.686 -34.380 1.00 0.00 H new ATOM 246 N ASN A 16 109.780 112.564 -38.298 1.00 0.00 N ATOM 247 CA ASN A 16 109.569 112.869 -39.709 1.00 0.00 C ATOM 248 C ASN A 16 108.185 112.356 -40.124 1.00 0.00 C ATOM 249 O ASN A 16 107.402 111.886 -39.311 1.00 0.00 O ATOM 250 CB ASN A 16 110.676 112.250 -40.583 1.00 0.00 C ATOM 251 CG ASN A 16 110.895 110.758 -40.297 1.00 0.00 C ATOM 252 OD1 ASN A 16 110.421 109.887 -41.014 1.00 0.00 O ATOM 253 ND2 ASN A 16 111.659 110.534 -39.213 1.00 0.00 N ATOM 0 H ASN A 16 109.838 111.569 -38.079 1.00 0.00 H new ATOM 0 HA ASN A 16 109.614 113.948 -39.856 1.00 0.00 H new ATOM 0 HB2 ASN A 16 110.418 112.380 -41.634 1.00 0.00 H new ATOM 0 HB3 ASN A 16 111.609 112.788 -40.415 1.00 0.00 H new ATOM 0 HD21 ASN A 16 111.882 109.578 -38.935 1.00 0.00 H new ATOM 0 HD22 ASN A 16 112.015 111.320 -38.669 1.00 0.00 H new ATOM 260 N GLU A 17 107.936 112.475 -41.443 1.00 0.00 N ATOM 261 CA GLU A 17 106.931 111.662 -42.126 1.00 0.00 C ATOM 262 C GLU A 17 106.666 110.312 -41.423 1.00 0.00 C ATOM 263 O GLU A 17 105.582 110.042 -40.922 1.00 0.00 O ATOM 264 CB GLU A 17 107.395 111.428 -43.568 1.00 0.00 C ATOM 265 CG GLU A 17 106.906 112.532 -44.507 1.00 0.00 C ATOM 266 CD GLU A 17 107.723 113.807 -44.279 1.00 0.00 C ATOM 267 OE1 GLU A 17 108.948 113.742 -44.363 1.00 0.00 O ATOM 268 OE2 GLU A 17 107.122 114.849 -44.020 1.00 0.00 O ATOM 0 H GLU A 17 108.424 113.132 -42.052 1.00 0.00 H new ATOM 0 HA GLU A 17 105.986 112.205 -42.105 1.00 0.00 H new ATOM 0 HB2 GLU A 17 108.484 111.382 -43.597 1.00 0.00 H new ATOM 0 HB3 GLU A 17 107.026 110.464 -43.917 1.00 0.00 H new ATOM 0 HG2 GLU A 17 107.001 112.209 -45.544 1.00 0.00 H new ATOM 0 HG3 GLU A 17 105.849 112.730 -44.331 1.00 0.00 H new ATOM 275 N LYS A 18 107.741 109.504 -41.432 1.00 0.00 N ATOM 276 CA LYS A 18 107.580 108.092 -41.118 1.00 0.00 C ATOM 277 C LYS A 18 107.111 107.873 -39.670 1.00 0.00 C ATOM 278 O LYS A 18 106.161 107.147 -39.410 1.00 0.00 O ATOM 279 CB LYS A 18 108.910 107.376 -41.343 1.00 0.00 C ATOM 280 CG LYS A 18 109.435 107.575 -42.761 1.00 0.00 C ATOM 281 CD LYS A 18 110.625 106.664 -43.049 1.00 0.00 C ATOM 282 CE LYS A 18 111.761 107.411 -43.748 1.00 0.00 C ATOM 283 NZ LYS A 18 112.833 107.787 -42.833 1.00 0.00 N ATOM 0 H LYS A 18 108.694 109.799 -41.646 1.00 0.00 H new ATOM 0 HA LYS A 18 106.812 107.684 -41.775 1.00 0.00 H new ATOM 0 HB2 LYS A 18 109.646 107.746 -40.629 1.00 0.00 H new ATOM 0 HB3 LYS A 18 108.785 106.311 -41.149 1.00 0.00 H new ATOM 0 HG2 LYS A 18 108.638 107.372 -43.477 1.00 0.00 H new ATOM 0 HG3 LYS A 18 109.730 108.615 -42.898 1.00 0.00 H new ATOM 0 HD2 LYS A 18 110.991 106.239 -42.114 1.00 0.00 H new ATOM 0 HD3 LYS A 18 110.301 105.831 -43.672 1.00 0.00 H new ATOM 0 HE2 LYS A 18 112.169 106.784 -44.541 1.00 0.00 H new ATOM 0 HE3 LYS A 18 111.363 108.308 -44.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 113.577 108.290 -43.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 112.453 108.408 -42.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 113.234 106.932 -42.398 1.00 0.00 H new ATOM 297 N THR A 19 107.829 108.546 -38.748 1.00 0.00 N ATOM 298 CA THR A 19 107.483 108.396 -37.341 1.00 0.00 C ATOM 299 C THR A 19 106.161 109.102 -36.965 1.00 0.00 C ATOM 300 O THR A 19 105.438 108.655 -36.084 1.00 0.00 O ATOM 301 CB THR A 19 108.642 108.902 -36.477 1.00 0.00 C ATOM 302 OG1 THR A 19 108.939 110.249 -36.769 1.00 0.00 O ATOM 303 CG2 THR A 19 109.892 108.029 -36.631 1.00 0.00 C ATOM 0 H THR A 19 108.613 109.167 -38.948 1.00 0.00 H new ATOM 0 HA THR A 19 107.318 107.335 -37.152 1.00 0.00 H new ATOM 0 HB THR A 19 108.321 108.836 -35.438 1.00 0.00 H new ATOM 0 HG1 THR A 19 109.900 110.404 -36.658 1.00 0.00 H new ATOM 0 HG21 THR A 19 110.690 108.422 -36.002 1.00 0.00 H new ATOM 0 HG22 THR A 19 109.662 107.007 -36.329 1.00 0.00 H new ATOM 0 HG23 THR A 19 110.214 108.036 -37.672 1.00 0.00 H new ATOM 311 N ALA A 20 105.889 110.221 -37.663 1.00 0.00 N ATOM 312 CA ALA A 20 104.620 110.903 -37.478 1.00 0.00 C ATOM 313 C ALA A 20 103.420 110.015 -37.867 1.00 0.00 C ATOM 314 O ALA A 20 102.439 109.929 -37.139 1.00 0.00 O ATOM 315 CB ALA A 20 104.625 112.141 -38.377 1.00 0.00 C ATOM 0 H ALA A 20 106.519 110.653 -38.339 1.00 0.00 H new ATOM 0 HA ALA A 20 104.512 111.160 -36.424 1.00 0.00 H new ATOM 0 HB1 ALA A 20 103.683 112.678 -38.262 1.00 0.00 H new ATOM 0 HB2 ALA A 20 105.451 112.793 -38.094 1.00 0.00 H new ATOM 0 HB3 ALA A 20 104.744 111.835 -39.416 1.00 0.00 H new ATOM 321 N THR A 21 103.551 109.369 -39.043 1.00 0.00 N ATOM 322 CA THR A 21 102.487 108.461 -39.463 1.00 0.00 C ATOM 323 C THR A 21 102.373 107.210 -38.563 1.00 0.00 C ATOM 324 O THR A 21 101.282 106.729 -38.282 1.00 0.00 O ATOM 325 CB THR A 21 102.648 108.113 -40.949 1.00 0.00 C ATOM 326 OG1 THR A 21 101.411 107.756 -41.523 1.00 0.00 O ATOM 327 CG2 THR A 21 103.713 107.051 -41.239 1.00 0.00 C ATOM 0 H THR A 21 104.341 109.456 -39.683 1.00 0.00 H new ATOM 0 HA THR A 21 101.536 108.980 -39.340 1.00 0.00 H new ATOM 0 HB THR A 21 103.012 109.026 -41.420 1.00 0.00 H new ATOM 0 HG1 THR A 21 101.540 107.541 -42.470 1.00 0.00 H new ATOM 0 HG21 THR A 21 103.760 106.866 -42.312 1.00 0.00 H new ATOM 0 HG22 THR A 21 104.683 107.403 -40.889 1.00 0.00 H new ATOM 0 HG23 THR A 21 103.455 106.126 -40.723 1.00 0.00 H new ATOM 335 N ILE A 22 103.549 106.715 -38.139 1.00 0.00 N ATOM 336 CA ILE A 22 103.574 105.506 -37.327 1.00 0.00 C ATOM 337 C ILE A 22 102.981 105.758 -35.929 1.00 0.00 C ATOM 338 O ILE A 22 102.106 105.035 -35.467 1.00 0.00 O ATOM 339 CB ILE A 22 105.027 105.046 -37.198 1.00 0.00 C ATOM 340 CG1 ILE A 22 105.600 104.658 -38.568 1.00 0.00 C ATOM 341 CG2 ILE A 22 105.199 103.931 -36.153 1.00 0.00 C ATOM 342 CD1 ILE A 22 105.580 103.151 -38.832 1.00 0.00 C ATOM 0 H ILE A 22 104.461 107.124 -38.341 1.00 0.00 H new ATOM 0 HA ILE A 22 102.968 104.739 -37.809 1.00 0.00 H new ATOM 0 HB ILE A 22 105.607 105.891 -36.827 1.00 0.00 H new ATOM 0 HG12 ILE A 22 105.030 105.163 -39.348 1.00 0.00 H new ATOM 0 HG13 ILE A 22 106.626 105.018 -38.639 1.00 0.00 H new ATOM 0 HG21 ILE A 22 106.248 103.640 -36.100 1.00 0.00 H new ATOM 0 HG22 ILE A 22 104.873 104.293 -35.178 1.00 0.00 H new ATOM 0 HG23 ILE A 22 104.598 103.068 -36.439 1.00 0.00 H new ATOM 0 HD11 ILE A 22 105.999 102.949 -39.818 1.00 0.00 H new ATOM 0 HD12 ILE A 22 106.174 102.641 -38.073 1.00 0.00 H new ATOM 0 HD13 ILE A 22 104.553 102.788 -38.793 1.00 0.00 H new ATOM 354 N LEU A 23 103.511 106.823 -35.293 1.00 0.00 N ATOM 355 CA LEU A 23 102.938 107.272 -34.032 1.00 0.00 C ATOM 356 C LEU A 23 101.413 107.480 -34.128 1.00 0.00 C ATOM 357 O LEU A 23 100.683 107.180 -33.194 1.00 0.00 O ATOM 358 CB LEU A 23 103.637 108.574 -33.611 1.00 0.00 C ATOM 359 CG LEU A 23 102.899 109.389 -32.543 1.00 0.00 C ATOM 360 CD1 LEU A 23 102.754 108.588 -31.248 1.00 0.00 C ATOM 361 CD2 LEU A 23 103.608 110.721 -32.288 1.00 0.00 C ATOM 0 H LEU A 23 104.308 107.365 -35.627 1.00 0.00 H new ATOM 0 HA LEU A 23 103.099 106.499 -33.281 1.00 0.00 H new ATOM 0 HB2 LEU A 23 104.632 108.330 -33.238 1.00 0.00 H new ATOM 0 HB3 LEU A 23 103.772 109.198 -34.494 1.00 0.00 H new ATOM 0 HG LEU A 23 101.898 109.607 -32.916 1.00 0.00 H new ATOM 0 HD11 LEU A 23 102.227 109.188 -30.506 1.00 0.00 H new ATOM 0 HD12 LEU A 23 102.189 107.677 -31.445 1.00 0.00 H new ATOM 0 HD13 LEU A 23 103.742 108.328 -30.869 1.00 0.00 H new ATOM 0 HD21 LEU A 23 103.066 111.282 -31.527 1.00 0.00 H new ATOM 0 HD22 LEU A 23 104.625 110.532 -31.944 1.00 0.00 H new ATOM 0 HD23 LEU A 23 103.639 111.299 -33.211 1.00 0.00 H new ATOM 373 N ILE A 24 100.980 108.017 -35.284 1.00 0.00 N ATOM 374 CA ILE A 24 99.554 108.151 -35.508 1.00 0.00 C ATOM 375 C ILE A 24 98.847 106.786 -35.493 1.00 0.00 C ATOM 376 O ILE A 24 97.841 106.599 -34.824 1.00 0.00 O ATOM 377 CB ILE A 24 99.349 108.902 -36.820 1.00 0.00 C ATOM 378 CG1 ILE A 24 99.751 110.357 -36.596 1.00 0.00 C ATOM 379 CG2 ILE A 24 97.930 108.752 -37.382 1.00 0.00 C ATOM 380 CD1 ILE A 24 98.581 111.218 -36.115 1.00 0.00 C ATOM 0 H ILE A 24 101.579 108.349 -36.040 1.00 0.00 H new ATOM 0 HA ILE A 24 99.100 108.720 -34.697 1.00 0.00 H new ATOM 0 HB ILE A 24 99.984 108.465 -37.591 1.00 0.00 H new ATOM 0 HG12 ILE A 24 100.556 110.400 -35.862 1.00 0.00 H new ATOM 0 HG13 ILE A 24 100.144 110.770 -37.525 1.00 0.00 H new ATOM 0 HG21 ILE A 24 97.848 109.309 -38.315 1.00 0.00 H new ATOM 0 HG22 ILE A 24 97.722 107.698 -37.568 1.00 0.00 H new ATOM 0 HG23 ILE A 24 97.210 109.142 -36.662 1.00 0.00 H new ATOM 0 HD11 ILE A 24 98.920 112.244 -35.971 1.00 0.00 H new ATOM 0 HD12 ILE A 24 97.785 111.200 -36.860 1.00 0.00 H new ATOM 0 HD13 ILE A 24 98.203 110.824 -35.171 1.00 0.00 H new ATOM 392 N THR A 25 99.429 105.856 -36.269 1.00 0.00 N ATOM 393 CA THR A 25 98.749 104.585 -36.463 1.00 0.00 C ATOM 394 C THR A 25 98.509 103.866 -35.117 1.00 0.00 C ATOM 395 O THR A 25 97.421 103.369 -34.853 1.00 0.00 O ATOM 396 CB THR A 25 99.571 103.692 -37.404 1.00 0.00 C ATOM 397 OG1 THR A 25 100.317 104.436 -38.345 1.00 0.00 O ATOM 398 CG2 THR A 25 98.691 102.667 -38.123 1.00 0.00 C ATOM 0 H THR A 25 100.324 105.959 -36.747 1.00 0.00 H new ATOM 0 HA THR A 25 97.776 104.784 -36.913 1.00 0.00 H new ATOM 0 HB THR A 25 100.278 103.159 -36.768 1.00 0.00 H new ATOM 0 HG1 THR A 25 100.880 105.086 -37.876 1.00 0.00 H new ATOM 0 HG21 THR A 25 99.309 102.054 -38.779 1.00 0.00 H new ATOM 0 HG22 THR A 25 98.200 102.030 -37.388 1.00 0.00 H new ATOM 0 HG23 THR A 25 97.937 103.186 -38.715 1.00 0.00 H new ATOM 406 N ILE A 26 99.574 103.845 -34.289 1.00 0.00 N ATOM 407 CA ILE A 26 99.377 103.417 -32.909 1.00 0.00 C ATOM 408 C ILE A 26 98.395 104.335 -32.163 1.00 0.00 C ATOM 409 O ILE A 26 97.448 103.884 -31.531 1.00 0.00 O ATOM 410 CB ILE A 26 100.706 103.403 -32.154 1.00 0.00 C ATOM 411 CG1 ILE A 26 101.803 102.619 -32.880 1.00 0.00 C ATOM 412 CG2 ILE A 26 100.501 102.841 -30.751 1.00 0.00 C ATOM 413 CD1 ILE A 26 103.144 103.341 -32.781 1.00 0.00 C ATOM 0 H ILE A 26 100.527 104.106 -34.542 1.00 0.00 H new ATOM 0 HA ILE A 26 98.959 102.411 -32.946 1.00 0.00 H new ATOM 0 HB ILE A 26 101.047 104.437 -32.097 1.00 0.00 H new ATOM 0 HG12 ILE A 26 101.889 101.622 -32.448 1.00 0.00 H new ATOM 0 HG13 ILE A 26 101.531 102.490 -33.928 1.00 0.00 H new ATOM 0 HG21 ILE A 26 101.452 102.834 -30.219 1.00 0.00 H new ATOM 0 HG22 ILE A 26 99.788 103.463 -30.210 1.00 0.00 H new ATOM 0 HG23 ILE A 26 100.116 101.823 -30.819 1.00 0.00 H new ATOM 0 HD11 ILE A 26 103.907 102.765 -33.304 1.00 0.00 H new ATOM 0 HD12 ILE A 26 103.060 104.328 -33.235 1.00 0.00 H new ATOM 0 HD13 ILE A 26 103.424 103.446 -31.733 1.00 0.00 H new ATOM 425 N ALA A 27 98.687 105.645 -32.281 1.00 0.00 N ATOM 426 CA ALA A 27 98.011 106.627 -31.435 1.00 0.00 C ATOM 427 C ALA A 27 96.477 106.493 -31.502 1.00 0.00 C ATOM 428 O ALA A 27 95.797 106.488 -30.483 1.00 0.00 O ATOM 429 CB ALA A 27 98.388 108.041 -31.884 1.00 0.00 C ATOM 0 H ALA A 27 99.367 106.032 -32.936 1.00 0.00 H new ATOM 0 HA ALA A 27 98.332 106.442 -30.410 1.00 0.00 H new ATOM 0 HB1 ALA A 27 97.882 108.771 -31.251 1.00 0.00 H new ATOM 0 HB2 ALA A 27 99.467 108.174 -31.800 1.00 0.00 H new ATOM 0 HB3 ALA A 27 98.084 108.187 -32.920 1.00 0.00 H new ATOM 435 N LYS A 28 95.979 106.385 -32.751 1.00 0.00 N ATOM 436 CA LYS A 28 94.557 106.172 -32.955 1.00 0.00 C ATOM 437 C LYS A 28 94.088 104.908 -32.220 1.00 0.00 C ATOM 438 O LYS A 28 93.228 104.950 -31.348 1.00 0.00 O ATOM 439 CB LYS A 28 94.256 106.088 -34.460 1.00 0.00 C ATOM 440 CG LYS A 28 93.576 107.360 -34.969 1.00 0.00 C ATOM 441 CD LYS A 28 94.065 107.748 -36.365 1.00 0.00 C ATOM 442 CE LYS A 28 93.700 109.191 -36.716 1.00 0.00 C ATOM 443 NZ LYS A 28 94.531 110.160 -36.013 1.00 0.00 N ATOM 0 H LYS A 28 96.535 106.442 -33.604 1.00 0.00 H new ATOM 0 HA LYS A 28 94.006 107.016 -32.540 1.00 0.00 H new ATOM 0 HB2 LYS A 28 95.184 105.926 -35.009 1.00 0.00 H new ATOM 0 HB3 LYS A 28 93.615 105.228 -34.656 1.00 0.00 H new ATOM 0 HG2 LYS A 28 92.496 107.211 -34.991 1.00 0.00 H new ATOM 0 HG3 LYS A 28 93.771 108.178 -34.276 1.00 0.00 H new ATOM 0 HD2 LYS A 28 95.147 107.624 -36.418 1.00 0.00 H new ATOM 0 HD3 LYS A 28 93.630 107.074 -37.103 1.00 0.00 H new ATOM 0 HE2 LYS A 28 93.805 109.338 -37.791 1.00 0.00 H new ATOM 0 HE3 LYS A 28 92.653 109.368 -36.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 93.939 110.946 -35.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 94.989 109.700 -35.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 95.259 110.527 -36.659 1.00 0.00 H new ATOM 457 N LYS A 29 94.712 103.790 -32.634 1.00 0.00 N ATOM 458 CA LYS A 29 94.149 102.493 -32.302 1.00 0.00 C ATOM 459 C LYS A 29 94.743 102.004 -30.974 1.00 0.00 C ATOM 460 O LYS A 29 95.938 101.763 -30.847 1.00 0.00 O ATOM 461 CB LYS A 29 94.464 101.490 -33.406 1.00 0.00 C ATOM 462 CG LYS A 29 93.406 100.398 -33.489 1.00 0.00 C ATOM 463 CD LYS A 29 93.989 99.110 -34.061 1.00 0.00 C ATOM 464 CE LYS A 29 93.022 98.413 -35.018 1.00 0.00 C ATOM 465 NZ LYS A 29 93.335 98.678 -36.417 1.00 0.00 N ATOM 0 H LYS A 29 95.574 103.767 -33.179 1.00 0.00 H new ATOM 0 HA LYS A 29 93.067 102.585 -32.206 1.00 0.00 H new ATOM 0 HB2 LYS A 29 94.528 102.009 -34.362 1.00 0.00 H new ATOM 0 HB3 LYS A 29 95.439 101.039 -33.222 1.00 0.00 H new ATOM 0 HG2 LYS A 29 92.998 100.207 -32.497 1.00 0.00 H new ATOM 0 HG3 LYS A 29 92.579 100.735 -34.114 1.00 0.00 H new ATOM 0 HD2 LYS A 29 94.917 99.335 -34.586 1.00 0.00 H new ATOM 0 HD3 LYS A 29 94.240 98.433 -33.245 1.00 0.00 H new ATOM 0 HE2 LYS A 29 93.051 97.338 -34.840 1.00 0.00 H new ATOM 0 HE3 LYS A 29 92.005 98.744 -34.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 92.728 98.092 -37.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 93.167 99.683 -36.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 94.333 98.448 -36.599 1.00 0.00 H new ATOM 479 N ASP A 30 93.820 101.878 -30.007 1.00 0.00 N ATOM 480 CA ASP A 30 94.196 101.518 -28.658 1.00 0.00 C ATOM 481 C ASP A 30 94.273 99.991 -28.539 1.00 0.00 C ATOM 482 O ASP A 30 93.268 99.295 -28.607 1.00 0.00 O ATOM 483 CB ASP A 30 93.140 102.051 -27.693 1.00 0.00 C ATOM 484 CG ASP A 30 93.135 103.582 -27.698 1.00 0.00 C ATOM 485 OD1 ASP A 30 94.204 104.172 -27.550 1.00 0.00 O ATOM 486 OD2 ASP A 30 92.063 104.165 -27.848 1.00 0.00 O ATOM 0 H ASP A 30 92.820 102.022 -30.146 1.00 0.00 H new ATOM 0 HA ASP A 30 95.169 101.947 -28.417 1.00 0.00 H new ATOM 0 HB2 ASP A 30 92.157 101.677 -27.978 1.00 0.00 H new ATOM 0 HB3 ASP A 30 93.341 101.685 -26.686 1.00 0.00 H new ATOM 491 N PHE A 31 95.525 99.526 -28.359 1.00 0.00 N ATOM 492 CA PHE A 31 95.863 98.154 -28.716 1.00 0.00 C ATOM 493 C PHE A 31 95.582 97.919 -30.208 1.00 0.00 C ATOM 494 O PHE A 31 94.763 97.094 -30.594 1.00 0.00 O ATOM 495 CB PHE A 31 95.100 97.122 -27.869 1.00 0.00 C ATOM 496 CG PHE A 31 95.399 97.219 -26.394 1.00 0.00 C ATOM 497 CD1 PHE A 31 94.716 98.175 -25.598 1.00 0.00 C ATOM 498 CD2 PHE A 31 96.346 96.360 -25.778 1.00 0.00 C ATOM 499 CE1 PHE A 31 94.956 98.256 -24.204 1.00 0.00 C ATOM 500 CE2 PHE A 31 96.588 96.438 -24.383 1.00 0.00 C ATOM 501 CZ PHE A 31 95.889 97.384 -23.595 1.00 0.00 C ATOM 0 H PHE A 31 96.296 100.074 -27.977 1.00 0.00 H new ATOM 0 HA PHE A 31 96.925 98.017 -28.512 1.00 0.00 H new ATOM 0 HB2 PHE A 31 94.029 97.255 -28.025 1.00 0.00 H new ATOM 0 HB3 PHE A 31 95.350 96.120 -28.218 1.00 0.00 H new ATOM 0 HD1 PHE A 31 94.007 98.847 -26.059 1.00 0.00 H new ATOM 0 HD2 PHE A 31 96.886 95.641 -26.376 1.00 0.00 H new ATOM 0 HE1 PHE A 31 94.427 98.983 -23.606 1.00 0.00 H new ATOM 0 HE2 PHE A 31 97.306 95.776 -23.922 1.00 0.00 H new ATOM 0 HZ PHE A 31 96.068 97.440 -22.531 1.00 0.00 H new ATOM 511 N ILE A 32 96.327 98.709 -31.011 1.00 0.00 N ATOM 512 CA ILE A 32 97.014 98.195 -32.183 1.00 0.00 C ATOM 513 C ILE A 32 97.857 96.957 -31.827 1.00 0.00 C ATOM 514 O ILE A 32 97.656 96.316 -30.804 1.00 0.00 O ATOM 515 CB ILE A 32 97.839 99.339 -32.805 1.00 0.00 C ATOM 516 CG1 ILE A 32 97.969 99.140 -34.310 1.00 0.00 C ATOM 517 CG2 ILE A 32 99.209 99.518 -32.149 1.00 0.00 C ATOM 518 CD1 ILE A 32 98.287 100.447 -35.030 1.00 0.00 C ATOM 0 H ILE A 32 96.459 99.708 -30.855 1.00 0.00 H new ATOM 0 HA ILE A 32 96.297 97.852 -32.929 1.00 0.00 H new ATOM 0 HB ILE A 32 97.294 100.263 -32.615 1.00 0.00 H new ATOM 0 HG12 ILE A 32 98.755 98.413 -34.514 1.00 0.00 H new ATOM 0 HG13 ILE A 32 97.041 98.725 -34.703 1.00 0.00 H new ATOM 0 HG21 ILE A 32 99.739 100.338 -32.632 1.00 0.00 H new ATOM 0 HG22 ILE A 32 99.079 99.744 -31.091 1.00 0.00 H new ATOM 0 HG23 ILE A 32 99.786 98.600 -32.256 1.00 0.00 H new ATOM 0 HD11 ILE A 32 98.371 100.261 -36.101 1.00 0.00 H new ATOM 0 HD12 ILE A 32 97.488 101.166 -34.848 1.00 0.00 H new ATOM 0 HD13 ILE A 32 99.229 100.849 -34.656 1.00 0.00 H new ATOM 530 N THR A 33 98.796 96.651 -32.740 1.00 0.00 N ATOM 531 CA THR A 33 100.108 96.208 -32.287 1.00 0.00 C ATOM 532 C THR A 33 101.174 96.743 -33.253 1.00 0.00 C ATOM 533 O THR A 33 100.879 97.415 -34.235 1.00 0.00 O ATOM 534 CB THR A 33 100.160 94.670 -32.215 1.00 0.00 C ATOM 535 OG1 THR A 33 100.320 94.066 -33.478 1.00 0.00 O ATOM 536 CG2 THR A 33 98.943 94.077 -31.493 1.00 0.00 C ATOM 0 H THR A 33 98.672 96.701 -33.751 1.00 0.00 H new ATOM 0 HA THR A 33 100.301 96.595 -31.286 1.00 0.00 H new ATOM 0 HB THR A 33 101.049 94.442 -31.626 1.00 0.00 H new ATOM 0 HG1 THR A 33 99.452 94.019 -33.931 1.00 0.00 H new ATOM 0 HG21 THR A 33 99.028 92.991 -31.469 1.00 0.00 H new ATOM 0 HG22 THR A 33 98.902 94.460 -30.473 1.00 0.00 H new ATOM 0 HG23 THR A 33 98.033 94.358 -32.023 1.00 0.00 H new ATOM 544 N ALA A 34 102.429 96.402 -32.911 1.00 0.00 N ATOM 545 CA ALA A 34 103.474 96.476 -33.928 1.00 0.00 C ATOM 546 C ALA A 34 103.115 95.711 -35.222 1.00 0.00 C ATOM 547 O ALA A 34 103.429 96.151 -36.322 1.00 0.00 O ATOM 548 CB ALA A 34 104.783 95.935 -33.352 1.00 0.00 C ATOM 0 H ALA A 34 102.728 96.089 -31.987 1.00 0.00 H new ATOM 0 HA ALA A 34 103.581 97.525 -34.203 1.00 0.00 H new ATOM 0 HB1 ALA A 34 105.564 95.990 -34.110 1.00 0.00 H new ATOM 0 HB2 ALA A 34 105.074 96.532 -32.487 1.00 0.00 H new ATOM 0 HB3 ALA A 34 104.645 94.898 -33.047 1.00 0.00 H new ATOM 554 N ALA A 35 102.450 94.555 -35.028 1.00 0.00 N ATOM 555 CA ALA A 35 102.009 93.775 -36.173 1.00 0.00 C ATOM 556 C ALA A 35 101.076 94.591 -37.089 1.00 0.00 C ATOM 557 O ALA A 35 101.277 94.653 -38.294 1.00 0.00 O ATOM 558 CB ALA A 35 101.323 92.485 -35.700 1.00 0.00 C ATOM 0 H ALA A 35 102.218 94.161 -34.116 1.00 0.00 H new ATOM 0 HA ALA A 35 102.888 93.510 -36.761 1.00 0.00 H new ATOM 0 HB1 ALA A 35 100.997 91.908 -36.565 1.00 0.00 H new ATOM 0 HB2 ALA A 35 102.026 91.893 -35.114 1.00 0.00 H new ATOM 0 HB3 ALA A 35 100.459 92.737 -35.085 1.00 0.00 H new ATOM 564 N GLU A 36 100.056 95.213 -36.464 1.00 0.00 N ATOM 565 CA GLU A 36 99.140 95.995 -37.281 1.00 0.00 C ATOM 566 C GLU A 36 99.855 97.165 -37.991 1.00 0.00 C ATOM 567 O GLU A 36 99.607 97.440 -39.158 1.00 0.00 O ATOM 568 CB GLU A 36 97.960 96.509 -36.444 1.00 0.00 C ATOM 569 CG GLU A 36 96.629 96.146 -37.098 1.00 0.00 C ATOM 570 CD GLU A 36 95.504 96.130 -36.058 1.00 0.00 C ATOM 571 OE1 GLU A 36 95.426 97.064 -35.263 1.00 0.00 O ATOM 572 OE2 GLU A 36 94.720 95.183 -36.058 1.00 0.00 O ATOM 0 H GLU A 36 99.861 95.189 -35.463 1.00 0.00 H new ATOM 0 HA GLU A 36 98.753 95.331 -38.054 1.00 0.00 H new ATOM 0 HB2 GLU A 36 98.006 96.082 -35.442 1.00 0.00 H new ATOM 0 HB3 GLU A 36 98.032 97.591 -36.333 1.00 0.00 H new ATOM 0 HG2 GLU A 36 96.395 96.865 -37.883 1.00 0.00 H new ATOM 0 HG3 GLU A 36 96.706 95.168 -37.574 1.00 0.00 H new ATOM 579 N VAL A 37 100.743 97.837 -37.229 1.00 0.00 N ATOM 580 CA VAL A 37 101.491 98.936 -37.818 1.00 0.00 C ATOM 581 C VAL A 37 102.344 98.475 -39.023 1.00 0.00 C ATOM 582 O VAL A 37 102.445 99.177 -40.022 1.00 0.00 O ATOM 583 CB VAL A 37 102.373 99.584 -36.748 1.00 0.00 C ATOM 584 CG1 VAL A 37 103.233 100.701 -37.342 1.00 0.00 C ATOM 585 CG2 VAL A 37 101.544 100.118 -35.571 1.00 0.00 C ATOM 0 H VAL A 37 100.945 97.641 -36.249 1.00 0.00 H new ATOM 0 HA VAL A 37 100.778 99.669 -38.196 1.00 0.00 H new ATOM 0 HB VAL A 37 103.032 98.805 -36.366 1.00 0.00 H new ATOM 0 HG11 VAL A 37 103.849 101.142 -36.558 1.00 0.00 H new ATOM 0 HG12 VAL A 37 103.876 100.290 -38.120 1.00 0.00 H new ATOM 0 HG13 VAL A 37 102.588 101.468 -37.771 1.00 0.00 H new ATOM 0 HG21 VAL A 37 102.208 100.570 -34.834 1.00 0.00 H new ATOM 0 HG22 VAL A 37 100.839 100.867 -35.932 1.00 0.00 H new ATOM 0 HG23 VAL A 37 100.996 99.297 -35.110 1.00 0.00 H new ATOM 595 N ARG A 38 102.967 97.288 -38.881 1.00 0.00 N ATOM 596 CA ARG A 38 103.495 96.635 -40.070 1.00 0.00 C ATOM 597 C ARG A 38 102.414 96.411 -41.155 1.00 0.00 C ATOM 598 O ARG A 38 102.638 96.654 -42.334 1.00 0.00 O ATOM 599 CB ARG A 38 104.128 95.307 -39.669 1.00 0.00 C ATOM 600 CG ARG A 38 105.398 95.507 -38.841 1.00 0.00 C ATOM 601 CD ARG A 38 106.582 94.724 -39.409 1.00 0.00 C ATOM 602 NE ARG A 38 107.828 95.300 -38.940 1.00 0.00 N ATOM 603 CZ ARG A 38 108.960 94.596 -39.120 1.00 0.00 C ATOM 604 NH1 ARG A 38 109.617 94.677 -40.274 1.00 0.00 N ATOM 605 NH2 ARG A 38 109.422 93.819 -38.145 1.00 0.00 N ATOM 0 H ARG A 38 103.107 96.792 -38.001 1.00 0.00 H new ATOM 0 HA ARG A 38 104.245 97.293 -40.510 1.00 0.00 H new ATOM 0 HB2 ARG A 38 103.410 94.721 -39.096 1.00 0.00 H new ATOM 0 HB3 ARG A 38 104.365 94.733 -40.565 1.00 0.00 H new ATOM 0 HG2 ARG A 38 105.647 96.568 -38.809 1.00 0.00 H new ATOM 0 HG3 ARG A 38 105.214 95.192 -37.814 1.00 0.00 H new ATOM 0 HD2 ARG A 38 106.517 93.679 -39.105 1.00 0.00 H new ATOM 0 HD3 ARG A 38 106.551 94.741 -40.498 1.00 0.00 H new ATOM 0 HE ARG A 38 107.845 96.213 -38.486 1.00 0.00 H new ATOM 0 HH11 ARG A 38 109.262 95.273 -41.022 1.00 0.00 H new ATOM 0 HH12 ARG A 38 110.475 94.143 -40.411 1.00 0.00 H new ATOM 0 HH21 ARG A 38 108.918 93.757 -37.260 1.00 0.00 H new ATOM 0 HH22 ARG A 38 110.280 93.285 -38.282 1.00 0.00 H new ATOM 619 N GLU A 39 101.244 95.932 -40.689 1.00 0.00 N ATOM 620 CA GLU A 39 100.279 95.360 -41.619 1.00 0.00 C ATOM 621 C GLU A 39 99.613 96.426 -42.508 1.00 0.00 C ATOM 622 O GLU A 39 99.413 96.226 -43.699 1.00 0.00 O ATOM 623 CB GLU A 39 99.198 94.616 -40.841 1.00 0.00 C ATOM 624 CG GLU A 39 99.765 93.399 -40.113 1.00 0.00 C ATOM 625 CD GLU A 39 99.261 92.088 -40.724 1.00 0.00 C ATOM 626 OE1 GLU A 39 98.047 91.907 -40.804 1.00 0.00 O ATOM 627 OE2 GLU A 39 100.088 91.265 -41.112 1.00 0.00 O ATOM 0 H GLU A 39 100.960 95.932 -39.709 1.00 0.00 H new ATOM 0 HA GLU A 39 100.826 94.678 -42.270 1.00 0.00 H new ATOM 0 HB2 GLU A 39 98.739 95.291 -40.119 1.00 0.00 H new ATOM 0 HB3 GLU A 39 98.411 94.298 -41.525 1.00 0.00 H new ATOM 0 HG2 GLU A 39 100.854 93.425 -40.154 1.00 0.00 H new ATOM 0 HG3 GLU A 39 99.485 93.441 -39.060 1.00 0.00 H new ATOM 719 N ASN A 46 108.530 98.505 -44.228 1.00 0.00 N ATOM 720 CA ASN A 46 108.649 97.531 -43.144 1.00 0.00 C ATOM 721 C ASN A 46 109.864 97.787 -42.227 1.00 0.00 C ATOM 722 O ASN A 46 109.748 97.780 -41.008 1.00 0.00 O ATOM 723 CB ASN A 46 108.718 96.113 -43.712 1.00 0.00 C ATOM 724 CG ASN A 46 109.902 95.953 -44.679 1.00 0.00 C ATOM 725 OD1 ASN A 46 109.836 96.335 -45.841 1.00 0.00 O ATOM 726 ND2 ASN A 46 110.979 95.367 -44.122 1.00 0.00 N ATOM 0 HA ASN A 46 107.757 97.644 -42.528 1.00 0.00 H new ATOM 0 HB2 ASN A 46 108.814 95.397 -42.896 1.00 0.00 H new ATOM 0 HB3 ASN A 46 107.788 95.882 -44.232 1.00 0.00 H new ATOM 0 HD21 ASN A 46 111.820 95.213 -44.678 1.00 0.00 H new ATOM 0 HD22 ASN A 46 110.953 95.077 -43.144 1.00 0.00 H new ATOM 733 N ALA A 47 111.020 98.013 -42.879 1.00 0.00 N ATOM 734 CA ALA A 47 112.210 98.277 -42.083 1.00 0.00 C ATOM 735 C ALA A 47 112.069 99.565 -41.248 1.00 0.00 C ATOM 736 O ALA A 47 112.380 99.584 -40.062 1.00 0.00 O ATOM 737 CB ALA A 47 113.425 98.385 -43.006 1.00 0.00 C ATOM 0 H ALA A 47 111.145 98.017 -43.891 1.00 0.00 H new ATOM 0 HA ALA A 47 112.341 97.448 -41.387 1.00 0.00 H new ATOM 0 HB1 ALA A 47 114.317 98.583 -42.412 1.00 0.00 H new ATOM 0 HB2 ALA A 47 113.552 97.450 -43.551 1.00 0.00 H new ATOM 0 HB3 ALA A 47 113.273 99.200 -43.714 1.00 0.00 H new ATOM 743 N VAL A 48 111.580 100.632 -41.916 1.00 0.00 N ATOM 744 CA VAL A 48 111.416 101.864 -41.152 1.00 0.00 C ATOM 745 C VAL A 48 110.392 101.699 -40.011 1.00 0.00 C ATOM 746 O VAL A 48 110.559 102.253 -38.934 1.00 0.00 O ATOM 747 CB VAL A 48 111.076 103.063 -42.052 1.00 0.00 C ATOM 748 CG1 VAL A 48 112.019 103.143 -43.251 1.00 0.00 C ATOM 749 CG2 VAL A 48 109.622 103.093 -42.524 1.00 0.00 C ATOM 0 H VAL A 48 111.314 100.662 -42.900 1.00 0.00 H new ATOM 0 HA VAL A 48 112.380 102.078 -40.691 1.00 0.00 H new ATOM 0 HB VAL A 48 111.215 103.941 -41.422 1.00 0.00 H new ATOM 0 HG11 VAL A 48 111.752 104.001 -43.867 1.00 0.00 H new ATOM 0 HG12 VAL A 48 113.045 103.253 -42.900 1.00 0.00 H new ATOM 0 HG13 VAL A 48 111.934 102.231 -43.842 1.00 0.00 H new ATOM 0 HG21 VAL A 48 109.462 103.968 -43.154 1.00 0.00 H new ATOM 0 HG22 VAL A 48 109.406 102.190 -43.096 1.00 0.00 H new ATOM 0 HG23 VAL A 48 108.960 103.142 -41.660 1.00 0.00 H new ATOM 759 N VAL A 49 109.337 100.918 -40.307 1.00 0.00 N ATOM 760 CA VAL A 49 108.194 100.803 -39.415 1.00 0.00 C ATOM 761 C VAL A 49 108.586 100.199 -38.052 1.00 0.00 C ATOM 762 O VAL A 49 108.141 100.655 -37.006 1.00 0.00 O ATOM 763 CB VAL A 49 107.114 99.960 -40.102 1.00 0.00 C ATOM 764 CG1 VAL A 49 105.911 99.729 -39.191 1.00 0.00 C ATOM 765 CG2 VAL A 49 106.664 100.618 -41.402 1.00 0.00 C ATOM 0 H VAL A 49 109.263 100.362 -41.159 1.00 0.00 H new ATOM 0 HA VAL A 49 107.806 101.801 -39.210 1.00 0.00 H new ATOM 0 HB VAL A 49 107.556 98.990 -40.327 1.00 0.00 H new ATOM 0 HG11 VAL A 49 105.168 99.128 -39.715 1.00 0.00 H new ATOM 0 HG12 VAL A 49 106.232 99.206 -38.290 1.00 0.00 H new ATOM 0 HG13 VAL A 49 105.473 100.689 -38.917 1.00 0.00 H new ATOM 0 HG21 VAL A 49 105.897 100.004 -41.874 1.00 0.00 H new ATOM 0 HG22 VAL A 49 106.257 101.606 -41.188 1.00 0.00 H new ATOM 0 HG23 VAL A 49 107.516 100.715 -42.075 1.00 0.00 H new ATOM 775 N ASN A 50 109.437 99.154 -38.124 1.00 0.00 N ATOM 776 CA ASN A 50 110.091 98.674 -36.913 1.00 0.00 C ATOM 777 C ASN A 50 110.831 99.805 -36.169 1.00 0.00 C ATOM 778 O ASN A 50 110.704 99.958 -34.960 1.00 0.00 O ATOM 779 CB ASN A 50 111.090 97.569 -37.280 1.00 0.00 C ATOM 780 CG ASN A 50 111.113 96.498 -36.187 1.00 0.00 C ATOM 781 OD1 ASN A 50 110.567 96.668 -35.104 1.00 0.00 O ATOM 782 ND2 ASN A 50 111.782 95.390 -36.550 1.00 0.00 N ATOM 0 H ASN A 50 109.674 98.650 -38.978 1.00 0.00 H new ATOM 0 HA ASN A 50 109.319 98.287 -36.248 1.00 0.00 H new ATOM 0 HB2 ASN A 50 110.814 97.120 -38.234 1.00 0.00 H new ATOM 0 HB3 ASN A 50 112.086 97.995 -37.404 1.00 0.00 H new ATOM 0 HD21 ASN A 50 111.863 94.608 -35.901 1.00 0.00 H new ATOM 0 HD22 ASN A 50 112.208 95.332 -37.475 1.00 0.00 H new ATOM 789 N SER A 51 111.602 100.581 -36.958 1.00 0.00 N ATOM 790 CA SER A 51 112.358 101.655 -36.329 1.00 0.00 C ATOM 791 C SER A 51 111.446 102.717 -35.675 1.00 0.00 C ATOM 792 O SER A 51 111.714 103.179 -34.574 1.00 0.00 O ATOM 793 CB SER A 51 113.277 102.312 -37.369 1.00 0.00 C ATOM 794 OG SER A 51 113.745 103.610 -37.022 1.00 0.00 O ATOM 0 H SER A 51 111.709 100.487 -37.968 1.00 0.00 H new ATOM 0 HA SER A 51 112.954 101.215 -35.529 1.00 0.00 H new ATOM 0 HB2 SER A 51 114.138 101.663 -37.533 1.00 0.00 H new ATOM 0 HB3 SER A 51 112.741 102.376 -38.316 1.00 0.00 H new ATOM 0 HG SER A 51 114.322 103.951 -37.737 1.00 0.00 H new ATOM 800 N ASN A 52 110.375 103.083 -36.409 1.00 0.00 N ATOM 801 CA ASN A 52 109.559 104.233 -36.054 1.00 0.00 C ATOM 802 C ASN A 52 108.754 104.035 -34.750 1.00 0.00 C ATOM 803 O ASN A 52 108.566 104.954 -33.964 1.00 0.00 O ATOM 804 CB ASN A 52 108.576 104.490 -37.194 1.00 0.00 C ATOM 805 CG ASN A 52 109.314 104.827 -38.498 1.00 0.00 C ATOM 806 OD1 ASN A 52 110.270 105.593 -38.519 1.00 0.00 O ATOM 807 ND2 ASN A 52 108.808 104.198 -39.574 1.00 0.00 N ATOM 0 H ASN A 52 110.066 102.591 -37.248 1.00 0.00 H new ATOM 0 HA ASN A 52 110.234 105.073 -35.890 1.00 0.00 H new ATOM 0 HB2 ASN A 52 107.951 103.610 -37.344 1.00 0.00 H new ATOM 0 HB3 ASN A 52 107.911 105.311 -36.926 1.00 0.00 H new ATOM 0 HD21 ASN A 52 109.225 104.345 -40.493 1.00 0.00 H new ATOM 0 HD22 ASN A 52 108.008 103.574 -39.471 1.00 0.00 H new ATOM 814 N ILE A 53 108.246 102.804 -34.591 1.00 0.00 N ATOM 815 CA ILE A 53 107.588 102.469 -33.342 1.00 0.00 C ATOM 816 C ILE A 53 108.591 102.442 -32.173 1.00 0.00 C ATOM 817 O ILE A 53 108.360 103.022 -31.121 1.00 0.00 O ATOM 818 CB ILE A 53 106.915 101.103 -33.480 1.00 0.00 C ATOM 819 CG1 ILE A 53 105.968 101.030 -34.681 1.00 0.00 C ATOM 820 CG2 ILE A 53 106.144 100.744 -32.212 1.00 0.00 C ATOM 821 CD1 ILE A 53 105.680 99.585 -35.069 1.00 0.00 C ATOM 0 H ILE A 53 108.280 102.058 -35.286 1.00 0.00 H new ATOM 0 HA ILE A 53 106.841 103.233 -33.126 1.00 0.00 H new ATOM 0 HB ILE A 53 107.719 100.385 -33.640 1.00 0.00 H new ATOM 0 HG12 ILE A 53 105.034 101.538 -34.442 1.00 0.00 H new ATOM 0 HG13 ILE A 53 106.409 101.556 -35.528 1.00 0.00 H new ATOM 0 HG21 ILE A 53 105.675 99.768 -32.336 1.00 0.00 H new ATOM 0 HG22 ILE A 53 106.830 100.712 -31.366 1.00 0.00 H new ATOM 0 HG23 ILE A 53 105.376 101.495 -32.028 1.00 0.00 H new ATOM 0 HD11 ILE A 53 105.005 99.566 -35.925 1.00 0.00 H new ATOM 0 HD12 ILE A 53 106.613 99.086 -35.331 1.00 0.00 H new ATOM 0 HD13 ILE A 53 105.216 99.068 -34.229 1.00 0.00 H new ATOM 833 N GLY A 54 109.705 101.728 -32.413 1.00 0.00 N ATOM 834 CA GLY A 54 110.727 101.649 -31.384 1.00 0.00 C ATOM 835 C GLY A 54 111.284 103.021 -30.968 1.00 0.00 C ATOM 836 O GLY A 54 111.511 103.283 -29.796 1.00 0.00 O ATOM 0 H GLY A 54 109.906 101.221 -33.275 1.00 0.00 H new ATOM 0 HA2 GLY A 54 110.311 101.153 -30.507 1.00 0.00 H new ATOM 0 HA3 GLY A 54 111.546 101.027 -31.744 1.00 0.00 H new ATOM 840 N VAL A 55 111.512 103.863 -31.987 1.00 0.00 N ATOM 841 CA VAL A 55 112.119 105.156 -31.704 1.00 0.00 C ATOM 842 C VAL A 55 111.175 106.089 -30.904 1.00 0.00 C ATOM 843 O VAL A 55 111.617 106.849 -30.050 1.00 0.00 O ATOM 844 CB VAL A 55 112.568 105.794 -33.019 1.00 0.00 C ATOM 845 CG1 VAL A 55 111.374 106.310 -33.800 1.00 0.00 C ATOM 846 CG2 VAL A 55 113.597 106.897 -32.786 1.00 0.00 C ATOM 0 H VAL A 55 111.295 103.679 -32.967 1.00 0.00 H new ATOM 0 HA VAL A 55 112.988 105.000 -31.065 1.00 0.00 H new ATOM 0 HB VAL A 55 113.054 105.022 -33.615 1.00 0.00 H new ATOM 0 HG11 VAL A 55 111.716 106.760 -34.732 1.00 0.00 H new ATOM 0 HG12 VAL A 55 110.700 105.483 -34.022 1.00 0.00 H new ATOM 0 HG13 VAL A 55 110.848 107.058 -33.208 1.00 0.00 H new ATOM 0 HG21 VAL A 55 113.893 107.327 -33.743 1.00 0.00 H new ATOM 0 HG22 VAL A 55 113.161 107.674 -32.158 1.00 0.00 H new ATOM 0 HG23 VAL A 55 114.473 106.479 -32.290 1.00 0.00 H new ATOM 856 N LEU A 56 109.863 105.992 -31.217 1.00 0.00 N ATOM 857 CA LEU A 56 108.863 106.513 -30.290 1.00 0.00 C ATOM 858 C LEU A 56 109.032 105.899 -28.880 1.00 0.00 C ATOM 859 O LEU A 56 109.059 106.601 -27.878 1.00 0.00 O ATOM 860 CB LEU A 56 107.489 106.119 -30.844 1.00 0.00 C ATOM 861 CG LEU A 56 106.936 107.070 -31.912 1.00 0.00 C ATOM 862 CD1 LEU A 56 108.020 107.789 -32.713 1.00 0.00 C ATOM 863 CD2 LEU A 56 106.042 106.295 -32.873 1.00 0.00 C ATOM 0 H LEU A 56 109.493 105.574 -32.071 1.00 0.00 H new ATOM 0 HA LEU A 56 108.972 107.594 -30.199 1.00 0.00 H new ATOM 0 HB2 LEU A 56 107.556 105.117 -31.268 1.00 0.00 H new ATOM 0 HB3 LEU A 56 106.779 106.069 -30.018 1.00 0.00 H new ATOM 0 HG LEU A 56 106.373 107.836 -31.379 1.00 0.00 H new ATOM 0 HD11 LEU A 56 107.554 108.444 -33.449 1.00 0.00 H new ATOM 0 HD12 LEU A 56 108.638 108.382 -32.039 1.00 0.00 H new ATOM 0 HD13 LEU A 56 108.643 107.054 -33.224 1.00 0.00 H new ATOM 0 HD21 LEU A 56 105.650 106.972 -33.631 1.00 0.00 H new ATOM 0 HD22 LEU A 56 106.622 105.508 -33.355 1.00 0.00 H new ATOM 0 HD23 LEU A 56 105.214 105.850 -32.321 1.00 0.00 H new ATOM 875 N ILE A 57 109.176 104.562 -28.862 1.00 0.00 N ATOM 876 CA ILE A 57 109.221 103.893 -27.567 1.00 0.00 C ATOM 877 C ILE A 57 110.430 104.348 -26.718 1.00 0.00 C ATOM 878 O ILE A 57 110.316 104.575 -25.520 1.00 0.00 O ATOM 879 CB ILE A 57 109.272 102.378 -27.775 1.00 0.00 C ATOM 880 CG1 ILE A 57 108.060 101.893 -28.584 1.00 0.00 C ATOM 881 CG2 ILE A 57 109.443 101.640 -26.442 1.00 0.00 C ATOM 882 CD1 ILE A 57 107.056 101.048 -27.801 1.00 0.00 C ATOM 0 H ILE A 57 109.258 103.960 -29.681 1.00 0.00 H new ATOM 0 HA ILE A 57 108.318 104.166 -27.021 1.00 0.00 H new ATOM 0 HB ILE A 57 110.154 102.139 -28.369 1.00 0.00 H new ATOM 0 HG12 ILE A 57 107.542 102.762 -28.990 1.00 0.00 H new ATOM 0 HG13 ILE A 57 108.418 101.310 -29.433 1.00 0.00 H new ATOM 0 HG21 ILE A 57 109.476 100.566 -26.623 1.00 0.00 H new ATOM 0 HG22 ILE A 57 110.372 101.957 -25.967 1.00 0.00 H new ATOM 0 HG23 ILE A 57 108.603 101.872 -25.787 1.00 0.00 H new ATOM 0 HD11 ILE A 57 106.237 100.754 -28.458 1.00 0.00 H new ATOM 0 HD12 ILE A 57 107.552 100.156 -27.418 1.00 0.00 H new ATOM 0 HD13 ILE A 57 106.662 101.630 -26.968 1.00 0.00 H new ATOM 894 N LYS A 58 111.579 104.465 -27.411 1.00 0.00 N ATOM 895 CA LYS A 58 112.829 104.729 -26.712 1.00 0.00 C ATOM 896 C LYS A 58 112.897 106.172 -26.150 1.00 0.00 C ATOM 897 O LYS A 58 113.620 106.446 -25.199 1.00 0.00 O ATOM 898 CB LYS A 58 113.992 104.436 -27.666 1.00 0.00 C ATOM 899 CG LYS A 58 114.268 105.578 -28.642 1.00 0.00 C ATOM 900 CD LYS A 58 115.408 106.483 -28.172 1.00 0.00 C ATOM 901 CE LYS A 58 116.244 107.004 -29.342 1.00 0.00 C ATOM 902 NZ LYS A 58 115.426 107.632 -30.372 1.00 0.00 N ATOM 0 H LYS A 58 111.658 104.382 -28.425 1.00 0.00 H new ATOM 0 HA LYS A 58 112.894 104.074 -25.844 1.00 0.00 H new ATOM 0 HB2 LYS A 58 114.892 104.239 -27.083 1.00 0.00 H new ATOM 0 HB3 LYS A 58 113.772 103.529 -28.230 1.00 0.00 H new ATOM 0 HG2 LYS A 58 114.515 105.165 -29.620 1.00 0.00 H new ATOM 0 HG3 LYS A 58 113.363 106.173 -28.767 1.00 0.00 H new ATOM 0 HD2 LYS A 58 114.997 107.326 -27.616 1.00 0.00 H new ATOM 0 HD3 LYS A 58 116.050 105.931 -27.485 1.00 0.00 H new ATOM 0 HE2 LYS A 58 116.973 107.724 -28.972 1.00 0.00 H new ATOM 0 HE3 LYS A 58 116.805 106.179 -29.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 115.847 107.453 -31.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 114.465 107.234 -30.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 115.381 108.657 -30.203 1.00 0.00 H new ATOM 916 N LYS A 59 112.109 107.062 -26.787 1.00 0.00 N ATOM 917 CA LYS A 59 111.813 108.353 -26.198 1.00 0.00 C ATOM 918 C LYS A 59 110.815 108.215 -25.034 1.00 0.00 C ATOM 919 O LYS A 59 111.042 108.715 -23.938 1.00 0.00 O ATOM 920 CB LYS A 59 111.215 109.225 -27.301 1.00 0.00 C ATOM 921 CG LYS A 59 112.213 109.483 -28.427 1.00 0.00 C ATOM 922 CD LYS A 59 111.544 110.129 -29.635 1.00 0.00 C ATOM 923 CE LYS A 59 112.457 111.177 -30.274 1.00 0.00 C ATOM 924 NZ LYS A 59 112.156 112.531 -29.824 1.00 0.00 N ATOM 0 H LYS A 59 111.678 106.900 -27.697 1.00 0.00 H new ATOM 0 HA LYS A 59 112.722 108.798 -25.793 1.00 0.00 H new ATOM 0 HB2 LYS A 59 110.328 108.739 -27.707 1.00 0.00 H new ATOM 0 HB3 LYS A 59 110.892 110.176 -26.877 1.00 0.00 H new ATOM 0 HG2 LYS A 59 113.012 110.130 -28.064 1.00 0.00 H new ATOM 0 HG3 LYS A 59 112.675 108.542 -28.726 1.00 0.00 H new ATOM 0 HD2 LYS A 59 111.294 109.363 -30.369 1.00 0.00 H new ATOM 0 HD3 LYS A 59 110.607 110.595 -29.330 1.00 0.00 H new ATOM 0 HE2 LYS A 59 113.495 110.942 -30.038 1.00 0.00 H new ATOM 0 HE3 LYS A 59 112.358 111.128 -31.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 112.526 113.216 -30.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 111.126 112.648 -29.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 112.601 112.696 -28.898 1.00 0.00 H new ATOM 938 N GLY A 60 109.707 107.513 -25.339 1.00 0.00 N ATOM 939 CA GLY A 60 108.403 108.110 -25.194 1.00 0.00 C ATOM 940 C GLY A 60 108.192 109.116 -26.323 1.00 0.00 C ATOM 941 O GLY A 60 108.668 110.243 -26.281 1.00 0.00 O ATOM 0 H GLY A 60 109.706 106.552 -25.680 1.00 0.00 H new ATOM 0 HA2 GLY A 60 107.631 107.341 -25.225 1.00 0.00 H new ATOM 0 HA3 GLY A 60 108.321 108.606 -24.227 1.00 0.00 H new ATOM 945 N LEU A 61 107.451 108.617 -27.328 1.00 0.00 N ATOM 946 CA LEU A 61 106.053 108.338 -27.135 1.00 0.00 C ATOM 947 C LEU A 61 105.644 107.336 -28.211 1.00 0.00 C ATOM 948 O LEU A 61 105.332 107.673 -29.345 1.00 0.00 O ATOM 949 CB LEU A 61 105.306 109.651 -27.375 1.00 0.00 C ATOM 950 CG LEU A 61 105.739 110.431 -28.636 1.00 0.00 C ATOM 951 CD1 LEU A 61 104.638 111.378 -29.077 1.00 0.00 C ATOM 952 CD2 LEU A 61 107.031 111.215 -28.430 1.00 0.00 C ATOM 0 H LEU A 61 107.807 108.408 -28.261 1.00 0.00 H new ATOM 0 HA LEU A 61 105.838 107.943 -26.142 1.00 0.00 H new ATOM 0 HB2 LEU A 61 104.240 109.436 -27.448 1.00 0.00 H new ATOM 0 HB3 LEU A 61 105.443 110.293 -26.505 1.00 0.00 H new ATOM 0 HG LEU A 61 105.925 109.688 -29.412 1.00 0.00 H new ATOM 0 HD11 LEU A 61 104.959 111.920 -29.967 1.00 0.00 H new ATOM 0 HD12 LEU A 61 103.737 110.808 -29.305 1.00 0.00 H new ATOM 0 HD13 LEU A 61 104.426 112.087 -28.277 1.00 0.00 H new ATOM 0 HD21 LEU A 61 107.287 111.743 -29.349 1.00 0.00 H new ATOM 0 HD22 LEU A 61 106.895 111.935 -27.623 1.00 0.00 H new ATOM 0 HD23 LEU A 61 107.836 110.528 -28.171 1.00 0.00 H new ATOM 964 N VAL A 62 105.635 106.074 -27.774 1.00 0.00 N ATOM 965 CA VAL A 62 104.471 105.272 -27.507 1.00 0.00 C ATOM 966 C VAL A 62 104.816 104.322 -26.350 1.00 0.00 C ATOM 967 O VAL A 62 105.965 103.932 -26.177 1.00 0.00 O ATOM 968 CB VAL A 62 104.100 104.520 -28.783 1.00 0.00 C ATOM 969 CG1 VAL A 62 105.187 103.533 -29.193 1.00 0.00 C ATOM 970 CG2 VAL A 62 102.756 103.821 -28.640 1.00 0.00 C ATOM 0 H VAL A 62 106.501 105.567 -27.591 1.00 0.00 H new ATOM 0 HA VAL A 62 103.611 105.874 -27.215 1.00 0.00 H new ATOM 0 HB VAL A 62 104.012 105.260 -29.579 1.00 0.00 H new ATOM 0 HG11 VAL A 62 104.886 103.018 -30.105 1.00 0.00 H new ATOM 0 HG12 VAL A 62 106.118 104.071 -29.371 1.00 0.00 H new ATOM 0 HG13 VAL A 62 105.335 102.804 -28.397 1.00 0.00 H new ATOM 0 HG21 VAL A 62 102.520 103.294 -29.565 1.00 0.00 H new ATOM 0 HG22 VAL A 62 102.803 103.107 -27.818 1.00 0.00 H new ATOM 0 HG23 VAL A 62 101.981 104.560 -28.435 1.00 0.00 H new ATOM 980 N GLU A 63 103.775 103.973 -25.575 1.00 0.00 N ATOM 981 CA GLU A 63 103.958 102.957 -24.543 1.00 0.00 C ATOM 982 C GLU A 63 103.289 101.642 -24.978 1.00 0.00 C ATOM 983 O GLU A 63 102.096 101.576 -25.246 1.00 0.00 O ATOM 984 CB GLU A 63 103.367 103.428 -23.214 1.00 0.00 C ATOM 985 CG GLU A 63 104.401 104.168 -22.362 1.00 0.00 C ATOM 986 CD GLU A 63 103.700 104.937 -21.240 1.00 0.00 C ATOM 987 OE1 GLU A 63 102.764 104.396 -20.652 1.00 0.00 O ATOM 988 OE2 GLU A 63 104.098 106.068 -20.966 1.00 0.00 O ATOM 0 H GLU A 63 102.836 104.365 -25.643 1.00 0.00 H new ATOM 0 HA GLU A 63 105.026 102.789 -24.407 1.00 0.00 H new ATOM 0 HB2 GLU A 63 102.518 104.084 -23.406 1.00 0.00 H new ATOM 0 HB3 GLU A 63 102.988 102.569 -22.660 1.00 0.00 H new ATOM 0 HG2 GLU A 63 105.111 103.458 -21.939 1.00 0.00 H new ATOM 0 HG3 GLU A 63 104.972 104.857 -22.985 1.00 0.00 H new ATOM 995 N LYS A 64 104.135 100.600 -25.018 1.00 0.00 N ATOM 996 CA LYS A 64 103.641 99.302 -25.415 1.00 0.00 C ATOM 997 C LYS A 64 102.952 98.630 -24.222 1.00 0.00 C ATOM 998 O LYS A 64 103.563 98.311 -23.211 1.00 0.00 O ATOM 999 CB LYS A 64 104.804 98.458 -25.926 1.00 0.00 C ATOM 1000 CG LYS A 64 104.396 97.005 -26.163 1.00 0.00 C ATOM 1001 CD LYS A 64 105.329 96.297 -27.144 1.00 0.00 C ATOM 1002 CE LYS A 64 106.322 95.380 -26.429 1.00 0.00 C ATOM 1003 NZ LYS A 64 105.662 94.281 -25.734 1.00 0.00 N ATOM 0 H LYS A 64 105.128 100.640 -24.786 1.00 0.00 H new ATOM 0 HA LYS A 64 102.910 99.406 -26.217 1.00 0.00 H new ATOM 0 HB2 LYS A 64 105.181 98.885 -26.855 1.00 0.00 H new ATOM 0 HB3 LYS A 64 105.621 98.492 -25.205 1.00 0.00 H new ATOM 0 HG2 LYS A 64 104.396 96.470 -25.213 1.00 0.00 H new ATOM 0 HG3 LYS A 64 103.376 96.974 -26.547 1.00 0.00 H new ATOM 0 HD2 LYS A 64 104.738 95.712 -27.849 1.00 0.00 H new ATOM 0 HD3 LYS A 64 105.875 97.040 -27.725 1.00 0.00 H new ATOM 0 HE2 LYS A 64 107.027 94.976 -27.155 1.00 0.00 H new ATOM 0 HE3 LYS A 64 106.901 95.964 -25.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 106.313 93.473 -25.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 105.389 94.589 -24.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 104.813 93.996 -26.262 1.00 0.00 H new ATOM 1017 N SER A 65 101.633 98.444 -24.427 1.00 0.00 N ATOM 1018 CA SER A 65 100.801 97.832 -23.401 1.00 0.00 C ATOM 1019 C SER A 65 100.308 96.474 -23.905 1.00 0.00 C ATOM 1020 O SER A 65 99.432 96.397 -24.756 1.00 0.00 O ATOM 1021 CB SER A 65 99.563 98.720 -23.175 1.00 0.00 C ATOM 1022 OG SER A 65 98.610 98.237 -22.235 1.00 0.00 O ATOM 0 H SER A 65 101.139 98.707 -25.280 1.00 0.00 H new ATOM 0 HA SER A 65 101.375 97.719 -22.482 1.00 0.00 H new ATOM 0 HB2 SER A 65 99.901 99.703 -22.847 1.00 0.00 H new ATOM 0 HB3 SER A 65 99.061 98.859 -24.132 1.00 0.00 H new ATOM 0 HG SER A 65 97.792 97.972 -22.705 1.00 0.00 H new ATOM 1028 N GLY A 66 100.906 95.415 -23.326 1.00 0.00 N ATOM 1029 CA GLY A 66 101.485 94.392 -24.180 1.00 0.00 C ATOM 1030 C GLY A 66 100.560 93.178 -24.277 1.00 0.00 C ATOM 1031 O GLY A 66 100.660 92.226 -23.511 1.00 0.00 O ATOM 0 H GLY A 66 100.993 95.259 -22.322 1.00 0.00 H new ATOM 0 HA2 GLY A 66 101.662 94.800 -25.175 1.00 0.00 H new ATOM 0 HA3 GLY A 66 102.453 94.086 -23.784 1.00 0.00 H new ATOM 1035 N ASP A 67 99.657 93.281 -25.268 1.00 0.00 N ATOM 1036 CA ASP A 67 100.083 93.141 -26.651 1.00 0.00 C ATOM 1037 C ASP A 67 99.180 93.978 -27.566 1.00 0.00 C ATOM 1038 O ASP A 67 98.495 93.457 -28.438 1.00 0.00 O ATOM 1039 CB ASP A 67 100.024 91.670 -27.060 1.00 0.00 C ATOM 1040 CG ASP A 67 101.053 90.866 -26.262 1.00 0.00 C ATOM 1041 OD1 ASP A 67 102.160 91.364 -26.063 1.00 0.00 O ATOM 1042 OD2 ASP A 67 100.736 89.752 -25.847 1.00 0.00 O ATOM 0 H ASP A 67 98.661 93.455 -25.134 1.00 0.00 H new ATOM 0 HA ASP A 67 101.108 93.498 -26.748 1.00 0.00 H new ATOM 0 HB2 ASP A 67 99.024 91.274 -26.883 1.00 0.00 H new ATOM 0 HB3 ASP A 67 100.222 91.572 -28.127 1.00 0.00 H new ATOM 1047 N GLY A 68 99.217 95.299 -27.299 1.00 0.00 N ATOM 1048 CA GLY A 68 99.338 96.270 -28.365 1.00 0.00 C ATOM 1049 C GLY A 68 100.071 97.515 -27.866 1.00 0.00 C ATOM 1050 O GLY A 68 100.422 97.637 -26.699 1.00 0.00 O ATOM 0 H GLY A 68 99.165 95.698 -26.362 1.00 0.00 H new ATOM 0 HA2 GLY A 68 99.879 95.833 -29.205 1.00 0.00 H new ATOM 0 HA3 GLY A 68 98.348 96.544 -28.731 1.00 0.00 H new ATOM 1054 N LEU A 69 100.272 98.428 -28.836 1.00 0.00 N ATOM 1055 CA LEU A 69 101.004 99.650 -28.559 1.00 0.00 C ATOM 1056 C LEU A 69 99.986 100.771 -28.344 1.00 0.00 C ATOM 1057 O LEU A 69 98.971 100.840 -29.027 1.00 0.00 O ATOM 1058 CB LEU A 69 101.939 99.951 -29.739 1.00 0.00 C ATOM 1059 CG LEU A 69 102.865 98.776 -30.088 1.00 0.00 C ATOM 1060 CD1 LEU A 69 104.133 99.276 -30.771 1.00 0.00 C ATOM 1061 CD2 LEU A 69 103.237 97.908 -28.884 1.00 0.00 C ATOM 0 H LEU A 69 99.940 98.334 -29.796 1.00 0.00 H new ATOM 0 HA LEU A 69 101.618 99.555 -27.663 1.00 0.00 H new ATOM 0 HB2 LEU A 69 101.340 100.206 -30.613 1.00 0.00 H new ATOM 0 HB3 LEU A 69 102.545 100.825 -29.501 1.00 0.00 H new ATOM 0 HG LEU A 69 102.297 98.143 -30.770 1.00 0.00 H new ATOM 0 HD11 LEU A 69 104.776 98.429 -31.010 1.00 0.00 H new ATOM 0 HD12 LEU A 69 103.869 99.802 -31.689 1.00 0.00 H new ATOM 0 HD13 LEU A 69 104.662 99.956 -30.103 1.00 0.00 H new ATOM 0 HD21 LEU A 69 103.892 97.099 -29.207 1.00 0.00 H new ATOM 0 HD22 LEU A 69 103.752 98.517 -28.141 1.00 0.00 H new ATOM 0 HD23 LEU A 69 102.332 97.488 -28.445 1.00 0.00 H new ATOM 1073 N ILE A 70 100.297 101.633 -27.352 1.00 0.00 N ATOM 1074 CA ILE A 70 99.408 102.764 -27.148 1.00 0.00 C ATOM 1075 C ILE A 70 100.167 103.915 -26.501 1.00 0.00 C ATOM 1076 O ILE A 70 101.099 103.726 -25.733 1.00 0.00 O ATOM 1077 CB ILE A 70 98.262 102.378 -26.224 1.00 0.00 C ATOM 1078 CG1 ILE A 70 98.761 101.826 -24.896 1.00 0.00 C ATOM 1079 CG2 ILE A 70 97.343 101.362 -26.881 1.00 0.00 C ATOM 1080 CD1 ILE A 70 97.671 101.938 -23.831 1.00 0.00 C ATOM 0 H ILE A 70 101.101 101.568 -26.727 1.00 0.00 H new ATOM 0 HA ILE A 70 99.018 103.065 -28.120 1.00 0.00 H new ATOM 0 HB ILE A 70 97.702 103.292 -26.027 1.00 0.00 H new ATOM 0 HG12 ILE A 70 99.056 100.784 -25.016 1.00 0.00 H new ATOM 0 HG13 ILE A 70 99.648 102.374 -24.577 1.00 0.00 H new ATOM 0 HG21 ILE A 70 96.535 101.106 -26.196 1.00 0.00 H new ATOM 0 HG22 ILE A 70 96.925 101.786 -27.794 1.00 0.00 H new ATOM 0 HG23 ILE A 70 97.910 100.463 -27.125 1.00 0.00 H new ATOM 0 HD11 ILE A 70 98.042 101.539 -22.887 1.00 0.00 H new ATOM 0 HD12 ILE A 70 97.396 102.985 -23.700 1.00 0.00 H new ATOM 0 HD13 ILE A 70 96.795 101.370 -24.145 1.00 0.00 H new ATOM 1092 N ILE A 71 99.700 105.124 -26.844 1.00 0.00 N ATOM 1093 CA ILE A 71 100.626 106.238 -26.814 1.00 0.00 C ATOM 1094 C ILE A 71 100.541 106.961 -25.471 1.00 0.00 C ATOM 1095 O ILE A 71 99.509 106.982 -24.811 1.00 0.00 O ATOM 1096 CB ILE A 71 100.305 107.193 -27.953 1.00 0.00 C ATOM 1097 CG1 ILE A 71 98.870 107.718 -27.823 1.00 0.00 C ATOM 1098 CG2 ILE A 71 100.582 106.509 -29.294 1.00 0.00 C ATOM 1099 CD1 ILE A 71 98.499 108.775 -28.861 1.00 0.00 C ATOM 0 H ILE A 71 98.744 105.339 -27.128 1.00 0.00 H new ATOM 0 HA ILE A 71 101.643 105.865 -26.937 1.00 0.00 H new ATOM 0 HB ILE A 71 100.954 108.067 -27.902 1.00 0.00 H new ATOM 0 HG12 ILE A 71 98.178 106.880 -27.909 1.00 0.00 H new ATOM 0 HG13 ILE A 71 98.737 108.140 -26.827 1.00 0.00 H new ATOM 0 HG21 ILE A 71 100.351 107.196 -30.108 1.00 0.00 H new ATOM 0 HG22 ILE A 71 101.633 106.224 -29.347 1.00 0.00 H new ATOM 0 HG23 ILE A 71 99.960 105.618 -29.384 1.00 0.00 H new ATOM 0 HD11 ILE A 71 97.469 109.095 -28.702 1.00 0.00 H new ATOM 0 HD12 ILE A 71 99.165 109.632 -28.762 1.00 0.00 H new ATOM 0 HD13 ILE A 71 98.597 108.353 -29.861 1.00 0.00 H new ATOM 1111 N THR A 72 101.698 107.549 -25.114 1.00 0.00 N ATOM 1112 CA THR A 72 101.764 108.252 -23.848 1.00 0.00 C ATOM 1113 C THR A 72 101.097 109.625 -24.009 1.00 0.00 C ATOM 1114 O THR A 72 100.830 110.087 -25.112 1.00 0.00 O ATOM 1115 CB THR A 72 103.221 108.375 -23.356 1.00 0.00 C ATOM 1116 OG1 THR A 72 103.791 109.572 -23.886 1.00 0.00 O ATOM 1117 CG2 THR A 72 104.042 107.091 -23.637 1.00 0.00 C ATOM 0 H THR A 72 102.556 107.547 -25.665 1.00 0.00 H new ATOM 0 HA THR A 72 101.227 107.687 -23.086 1.00 0.00 H new ATOM 0 HB THR A 72 103.240 108.462 -22.270 1.00 0.00 H new ATOM 0 HG1 THR A 72 104.467 109.343 -24.557 1.00 0.00 H new ATOM 0 HG21 THR A 72 105.061 107.224 -23.274 1.00 0.00 H new ATOM 0 HG22 THR A 72 103.582 106.246 -23.126 1.00 0.00 H new ATOM 0 HG23 THR A 72 104.062 106.899 -24.710 1.00 0.00 H new ATOM 1125 N GLY A 73 100.851 110.243 -22.841 1.00 0.00 N ATOM 1126 CA GLY A 73 100.228 111.560 -22.886 1.00 0.00 C ATOM 1127 C GLY A 73 100.993 112.580 -23.760 1.00 0.00 C ATOM 1128 O GLY A 73 100.402 113.521 -24.277 1.00 0.00 O ATOM 0 H GLY A 73 101.061 109.875 -21.913 1.00 0.00 H new ATOM 0 HA2 GLY A 73 99.212 111.459 -23.267 1.00 0.00 H new ATOM 0 HA3 GLY A 73 100.151 111.950 -21.871 1.00 0.00 H new ATOM 1132 N GLU A 74 102.321 112.359 -23.906 1.00 0.00 N ATOM 1133 CA GLU A 74 103.074 113.228 -24.800 1.00 0.00 C ATOM 1134 C GLU A 74 102.486 113.214 -26.221 1.00 0.00 C ATOM 1135 O GLU A 74 102.179 114.255 -26.786 1.00 0.00 O ATOM 1136 CB GLU A 74 104.535 112.789 -24.870 1.00 0.00 C ATOM 1137 CG GLU A 74 105.196 112.684 -23.494 1.00 0.00 C ATOM 1138 CD GLU A 74 105.816 111.299 -23.278 1.00 0.00 C ATOM 1139 OE1 GLU A 74 106.623 110.882 -24.108 1.00 0.00 O ATOM 1140 OE2 GLU A 74 105.484 110.655 -22.284 1.00 0.00 O ATOM 0 H GLU A 74 102.856 111.626 -23.440 1.00 0.00 H new ATOM 0 HA GLU A 74 103.009 114.239 -24.397 1.00 0.00 H new ATOM 0 HB2 GLU A 74 104.594 111.822 -25.370 1.00 0.00 H new ATOM 0 HB3 GLU A 74 105.093 113.499 -25.481 1.00 0.00 H new ATOM 0 HG2 GLU A 74 105.967 113.449 -23.399 1.00 0.00 H new ATOM 0 HG3 GLU A 74 104.457 112.879 -22.717 1.00 0.00 H new ATOM 1147 N ALA A 75 102.319 111.980 -26.744 1.00 0.00 N ATOM 1148 CA ALA A 75 101.699 111.849 -28.057 1.00 0.00 C ATOM 1149 C ALA A 75 100.305 112.490 -28.082 1.00 0.00 C ATOM 1150 O ALA A 75 99.982 113.251 -28.981 1.00 0.00 O ATOM 1151 CB ALA A 75 101.560 110.366 -28.419 1.00 0.00 C ATOM 0 H ALA A 75 102.593 111.106 -26.295 1.00 0.00 H new ATOM 0 HA ALA A 75 102.337 112.360 -28.778 1.00 0.00 H new ATOM 0 HB1 ALA A 75 101.096 110.273 -29.401 1.00 0.00 H new ATOM 0 HB2 ALA A 75 102.546 109.902 -28.438 1.00 0.00 H new ATOM 0 HB3 ALA A 75 100.939 109.867 -27.676 1.00 0.00 H new ATOM 1157 N GLN A 76 99.515 112.168 -27.045 1.00 0.00 N ATOM 1158 CA GLN A 76 98.131 112.618 -27.051 1.00 0.00 C ATOM 1159 C GLN A 76 97.999 114.149 -27.249 1.00 0.00 C ATOM 1160 O GLN A 76 97.074 114.616 -27.901 1.00 0.00 O ATOM 1161 CB GLN A 76 97.498 112.202 -25.725 1.00 0.00 C ATOM 1162 CG GLN A 76 97.029 110.747 -25.747 1.00 0.00 C ATOM 1163 CD GLN A 76 96.409 110.381 -24.397 1.00 0.00 C ATOM 1164 OE1 GLN A 76 96.949 109.594 -23.629 1.00 0.00 O ATOM 1165 NE2 GLN A 76 95.241 111.008 -24.168 1.00 0.00 N ATOM 0 H GLN A 76 99.800 111.623 -26.231 1.00 0.00 H new ATOM 0 HA GLN A 76 97.619 112.157 -27.896 1.00 0.00 H new ATOM 0 HB2 GLN A 76 98.220 112.338 -24.920 1.00 0.00 H new ATOM 0 HB3 GLN A 76 96.651 112.853 -25.507 1.00 0.00 H new ATOM 0 HG2 GLN A 76 96.299 110.603 -26.544 1.00 0.00 H new ATOM 0 HG3 GLN A 76 97.870 110.088 -25.962 1.00 0.00 H new ATOM 0 HE21 GLN A 76 94.862 111.650 -24.864 1.00 0.00 H new ATOM 0 HE22 GLN A 76 94.735 110.842 -23.298 1.00 0.00 H new ATOM 1174 N ASP A 77 98.958 114.898 -26.667 1.00 0.00 N ATOM 1175 CA ASP A 77 98.992 116.326 -26.934 1.00 0.00 C ATOM 1176 C ASP A 77 99.354 116.619 -28.404 1.00 0.00 C ATOM 1177 O ASP A 77 98.733 117.448 -29.058 1.00 0.00 O ATOM 1178 CB ASP A 77 100.019 116.983 -26.013 1.00 0.00 C ATOM 1179 CG ASP A 77 99.687 118.466 -25.833 1.00 0.00 C ATOM 1180 OD1 ASP A 77 99.934 119.239 -26.757 1.00 0.00 O ATOM 1181 OD2 ASP A 77 99.185 118.829 -24.771 1.00 0.00 O ATOM 0 H ASP A 77 99.682 114.547 -26.040 1.00 0.00 H new ATOM 0 HA ASP A 77 97.999 116.734 -26.746 1.00 0.00 H new ATOM 0 HB2 ASP A 77 100.024 116.483 -25.045 1.00 0.00 H new ATOM 0 HB3 ASP A 77 101.019 116.874 -26.433 1.00 0.00 H new ATOM 1186 N ILE A 78 100.389 115.892 -28.875 1.00 0.00 N ATOM 1187 CA ILE A 78 100.903 116.154 -30.206 1.00 0.00 C ATOM 1188 C ILE A 78 99.844 115.874 -31.288 1.00 0.00 C ATOM 1189 O ILE A 78 99.646 116.667 -32.198 1.00 0.00 O ATOM 1190 CB ILE A 78 102.130 115.258 -30.418 1.00 0.00 C ATOM 1191 CG1 ILE A 78 103.287 115.587 -29.463 1.00 0.00 C ATOM 1192 CG2 ILE A 78 102.614 115.266 -31.872 1.00 0.00 C ATOM 1193 CD1 ILE A 78 103.273 117.016 -28.909 1.00 0.00 C ATOM 0 H ILE A 78 100.862 115.147 -28.363 1.00 0.00 H new ATOM 0 HA ILE A 78 101.172 117.207 -30.291 1.00 0.00 H new ATOM 0 HB ILE A 78 101.792 114.249 -30.181 1.00 0.00 H new ATOM 0 HG12 ILE A 78 103.261 114.888 -28.627 1.00 0.00 H new ATOM 0 HG13 ILE A 78 104.229 115.424 -29.986 1.00 0.00 H new ATOM 0 HG21 ILE A 78 103.484 114.617 -31.969 1.00 0.00 H new ATOM 0 HG22 ILE A 78 101.817 114.905 -32.523 1.00 0.00 H new ATOM 0 HG23 ILE A 78 102.885 116.282 -32.160 1.00 0.00 H new ATOM 0 HD11 ILE A 78 104.126 117.157 -28.245 1.00 0.00 H new ATOM 0 HD12 ILE A 78 103.333 117.726 -29.733 1.00 0.00 H new ATOM 0 HD13 ILE A 78 102.350 117.182 -28.354 1.00 0.00 H new ATOM 1205 N ILE A 79 99.199 114.701 -31.145 1.00 0.00 N ATOM 1206 CA ILE A 79 98.196 114.290 -32.110 1.00 0.00 C ATOM 1207 C ILE A 79 96.986 115.235 -32.123 1.00 0.00 C ATOM 1208 O ILE A 79 96.508 115.637 -33.177 1.00 0.00 O ATOM 1209 CB ILE A 79 97.683 112.899 -31.730 1.00 0.00 C ATOM 1210 CG1 ILE A 79 98.789 111.873 -31.452 1.00 0.00 C ATOM 1211 CG2 ILE A 79 96.697 112.384 -32.776 1.00 0.00 C ATOM 1212 CD1 ILE A 79 100.093 112.144 -32.200 1.00 0.00 C ATOM 0 H ILE A 79 99.359 114.042 -30.383 1.00 0.00 H new ATOM 0 HA ILE A 79 98.666 114.301 -33.094 1.00 0.00 H new ATOM 0 HB ILE A 79 97.164 113.022 -30.779 1.00 0.00 H new ATOM 0 HG12 ILE A 79 98.993 111.856 -30.381 1.00 0.00 H new ATOM 0 HG13 ILE A 79 98.426 110.881 -31.723 1.00 0.00 H new ATOM 0 HG21 ILE A 79 96.344 111.394 -32.487 1.00 0.00 H new ATOM 0 HG22 ILE A 79 95.849 113.066 -32.844 1.00 0.00 H new ATOM 0 HG23 ILE A 79 97.193 112.324 -33.745 1.00 0.00 H new ATOM 0 HD11 ILE A 79 100.823 111.374 -31.949 1.00 0.00 H new ATOM 0 HD12 ILE A 79 99.906 112.131 -33.274 1.00 0.00 H new ATOM 0 HD13 ILE A 79 100.482 113.121 -31.911 1.00 0.00 H new ATOM 1224 N SER A 80 96.511 115.559 -30.904 1.00 0.00 N ATOM 1225 CA SER A 80 95.378 116.467 -30.825 1.00 0.00 C ATOM 1226 C SER A 80 95.683 117.825 -31.486 1.00 0.00 C ATOM 1227 O SER A 80 94.886 118.344 -32.255 1.00 0.00 O ATOM 1228 CB SER A 80 95.006 116.674 -29.350 1.00 0.00 C ATOM 1229 OG SER A 80 94.871 115.489 -28.574 1.00 0.00 O ATOM 0 H SER A 80 96.877 115.222 -30.014 1.00 0.00 H new ATOM 0 HA SER A 80 94.544 116.022 -31.367 1.00 0.00 H new ATOM 0 HB2 SER A 80 95.766 117.304 -28.888 1.00 0.00 H new ATOM 0 HB3 SER A 80 94.066 117.224 -29.305 1.00 0.00 H new ATOM 0 HG SER A 80 95.659 115.381 -28.002 1.00 0.00 H new ATOM 1235 N ASN A 81 96.871 118.363 -31.148 1.00 0.00 N ATOM 1236 CA ASN A 81 97.216 119.650 -31.734 1.00 0.00 C ATOM 1237 C ASN A 81 97.485 119.538 -33.248 1.00 0.00 C ATOM 1238 O ASN A 81 97.014 120.346 -34.037 1.00 0.00 O ATOM 1239 CB ASN A 81 98.456 120.216 -31.037 1.00 0.00 C ATOM 1240 CG ASN A 81 98.415 121.746 -31.067 1.00 0.00 C ATOM 1241 OD1 ASN A 81 98.997 122.392 -31.929 1.00 0.00 O ATOM 1242 ND2 ASN A 81 97.686 122.272 -30.066 1.00 0.00 N ATOM 0 H ASN A 81 97.559 117.953 -30.516 1.00 0.00 H new ATOM 0 HA ASN A 81 96.366 120.318 -31.593 1.00 0.00 H new ATOM 0 HB2 ASN A 81 98.497 119.864 -30.006 1.00 0.00 H new ATOM 0 HB3 ASN A 81 99.358 119.858 -31.532 1.00 0.00 H new ATOM 0 HD21 ASN A 81 97.586 123.284 -29.985 1.00 0.00 H new ATOM 0 HD22 ASN A 81 97.233 121.659 -29.388 1.00 0.00 H new ATOM 1249 N ALA A 82 98.264 118.498 -33.603 1.00 0.00 N ATOM 1250 CA ALA A 82 98.695 118.378 -34.986 1.00 0.00 C ATOM 1251 C ALA A 82 97.515 118.108 -35.930 1.00 0.00 C ATOM 1252 O ALA A 82 97.369 118.747 -36.962 1.00 0.00 O ATOM 1253 CB ALA A 82 99.711 117.251 -35.119 1.00 0.00 C ATOM 0 H ALA A 82 98.590 117.764 -32.974 1.00 0.00 H new ATOM 0 HA ALA A 82 99.149 119.328 -35.270 1.00 0.00 H new ATOM 0 HB1 ALA A 82 100.028 117.168 -36.158 1.00 0.00 H new ATOM 0 HB2 ALA A 82 100.576 117.465 -34.491 1.00 0.00 H new ATOM 0 HB3 ALA A 82 99.257 116.312 -34.803 1.00 0.00 H new