USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=15 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+ -179:sc= -1.27 (180deg=-1.27) USER MOD Single : A 11 SER OG : rot 120:sc= -0.66 USER MOD Single : A 12 ASN : amide:sc= -0.0962 X(o=-0.096,f=-0.025) USER MOD Single : A 16 ASN : amide:sc= -0.0654 X(o=-0.065,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -139:sc= -0.898 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 56:sc= -0.136! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 166:sc= 0.493 (180deg=0.36) USER MOD Single : A 33 THR OG1 : rot -85:sc= -2.25! USER MOD Single : A 46 ASN : amide:sc= -1.03 X(o=-1,f=-0.88) USER MOD Single : A 50 ASN : amide:sc= -0.0731 K(o=-0.073,f=-1.2) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN :FLIP amide:sc= -2.69 F(o=-5.4,f=-2.7) USER MOD Single : A 58 LYS NZ :NH3+ 156:sc=-0.00771 (180deg=-0.772) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot -119:sc= -1.63 USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 80 SER OG : rot 97:sc= 1.19 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 53 N VAL A 4 100.948 114.314 -41.376 1.00 0.00 N ATOM 54 CA VAL A 4 102.149 113.975 -40.630 1.00 0.00 C ATOM 55 C VAL A 4 103.048 115.199 -40.358 1.00 0.00 C ATOM 56 O VAL A 4 103.634 115.329 -39.293 1.00 0.00 O ATOM 57 CB VAL A 4 102.931 112.905 -41.384 1.00 0.00 C ATOM 58 CG1 VAL A 4 102.067 111.669 -41.647 1.00 0.00 C ATOM 59 CG2 VAL A 4 103.523 113.467 -42.672 1.00 0.00 C ATOM 0 HA VAL A 4 101.834 113.595 -39.658 1.00 0.00 H new ATOM 0 HB VAL A 4 103.762 112.588 -40.754 1.00 0.00 H new ATOM 0 HG11 VAL A 4 102.652 110.924 -42.186 1.00 0.00 H new ATOM 0 HG12 VAL A 4 101.732 111.250 -40.698 1.00 0.00 H new ATOM 0 HG13 VAL A 4 101.200 111.951 -42.245 1.00 0.00 H new ATOM 0 HG21 VAL A 4 104.076 112.684 -43.191 1.00 0.00 H new ATOM 0 HG22 VAL A 4 102.720 113.830 -43.313 1.00 0.00 H new ATOM 0 HG23 VAL A 4 104.197 114.290 -42.434 1.00 0.00 H new ATOM 69 N THR A 5 103.134 116.082 -41.366 1.00 0.00 N ATOM 70 CA THR A 5 103.914 117.294 -41.181 1.00 0.00 C ATOM 71 C THR A 5 103.398 118.134 -39.988 1.00 0.00 C ATOM 72 O THR A 5 104.182 118.710 -39.243 1.00 0.00 O ATOM 73 CB THR A 5 103.784 118.126 -42.466 1.00 0.00 C ATOM 74 OG1 THR A 5 104.214 117.414 -43.611 1.00 0.00 O ATOM 75 CG2 THR A 5 104.413 119.519 -42.341 1.00 0.00 C ATOM 0 H THR A 5 102.689 115.979 -42.278 1.00 0.00 H new ATOM 0 HA THR A 5 104.949 117.023 -40.972 1.00 0.00 H new ATOM 0 HB THR A 5 102.719 118.308 -42.611 1.00 0.00 H new ATOM 0 HG1 THR A 5 104.113 117.979 -44.405 1.00 0.00 H new ATOM 0 HG21 THR A 5 104.290 120.059 -43.280 1.00 0.00 H new ATOM 0 HG22 THR A 5 103.922 120.069 -41.538 1.00 0.00 H new ATOM 0 HG23 THR A 5 105.475 119.420 -42.116 1.00 0.00 H new ATOM 83 N TYR A 6 102.058 118.177 -39.849 1.00 0.00 N ATOM 84 CA TYR A 6 101.485 118.806 -38.664 1.00 0.00 C ATOM 85 C TYR A 6 101.895 118.077 -37.366 1.00 0.00 C ATOM 86 O TYR A 6 102.123 118.707 -36.344 1.00 0.00 O ATOM 87 CB TYR A 6 99.954 118.860 -38.749 1.00 0.00 C ATOM 88 CG TYR A 6 99.473 119.781 -39.843 1.00 0.00 C ATOM 89 CD1 TYR A 6 99.866 121.142 -39.849 1.00 0.00 C ATOM 90 CD2 TYR A 6 98.632 119.300 -40.879 1.00 0.00 C ATOM 91 CE1 TYR A 6 99.437 122.008 -40.884 1.00 0.00 C ATOM 92 CE2 TYR A 6 98.195 120.163 -41.913 1.00 0.00 C ATOM 93 CZ TYR A 6 98.609 121.517 -41.923 1.00 0.00 C ATOM 94 OH TYR A 6 98.213 122.354 -42.945 1.00 0.00 O ATOM 0 H TYR A 6 101.385 117.799 -40.516 1.00 0.00 H new ATOM 0 HA TYR A 6 101.882 119.821 -38.632 1.00 0.00 H new ATOM 0 HB2 TYR A 6 99.567 117.857 -38.926 1.00 0.00 H new ATOM 0 HB3 TYR A 6 99.551 119.194 -37.793 1.00 0.00 H new ATOM 0 HD1 TYR A 6 100.497 121.522 -39.059 1.00 0.00 H new ATOM 0 HD2 TYR A 6 98.322 118.265 -40.879 1.00 0.00 H new ATOM 0 HE1 TYR A 6 99.742 123.044 -40.881 1.00 0.00 H new ATOM 0 HE2 TYR A 6 97.547 119.789 -42.692 1.00 0.00 H new ATOM 0 HH TYR A 6 97.650 121.858 -43.575 1.00 0.00 H new ATOM 104 N ILE A 7 101.956 116.730 -37.453 1.00 0.00 N ATOM 105 CA ILE A 7 102.425 115.952 -36.311 1.00 0.00 C ATOM 106 C ILE A 7 103.859 116.344 -35.909 1.00 0.00 C ATOM 107 O ILE A 7 104.163 116.537 -34.739 1.00 0.00 O ATOM 108 CB ILE A 7 102.358 114.460 -36.641 1.00 0.00 C ATOM 109 CG1 ILE A 7 100.971 114.076 -37.156 1.00 0.00 C ATOM 110 CG2 ILE A 7 102.740 113.615 -35.424 1.00 0.00 C ATOM 111 CD1 ILE A 7 99.888 114.490 -36.164 1.00 0.00 C ATOM 0 H ILE A 7 101.695 116.185 -38.275 1.00 0.00 H new ATOM 0 HA ILE A 7 101.774 116.168 -35.463 1.00 0.00 H new ATOM 0 HB ILE A 7 103.079 114.258 -37.433 1.00 0.00 H new ATOM 0 HG12 ILE A 7 100.791 114.555 -38.118 1.00 0.00 H new ATOM 0 HG13 ILE A 7 100.925 113.000 -37.322 1.00 0.00 H new ATOM 0 HG21 ILE A 7 102.685 112.558 -35.683 1.00 0.00 H new ATOM 0 HG22 ILE A 7 103.756 113.860 -35.115 1.00 0.00 H new ATOM 0 HG23 ILE A 7 102.051 113.824 -34.605 1.00 0.00 H new ATOM 0 HD11 ILE A 7 98.910 114.206 -36.553 1.00 0.00 H new ATOM 0 HD12 ILE A 7 100.058 113.990 -35.210 1.00 0.00 H new ATOM 0 HD13 ILE A 7 99.921 115.570 -36.019 1.00 0.00 H new ATOM 123 N ILE A 8 104.710 116.443 -36.948 1.00 0.00 N ATOM 124 CA ILE A 8 106.064 116.937 -36.754 1.00 0.00 C ATOM 125 C ILE A 8 106.065 118.331 -36.096 1.00 0.00 C ATOM 126 O ILE A 8 106.756 118.573 -35.114 1.00 0.00 O ATOM 127 CB ILE A 8 106.766 117.003 -38.113 1.00 0.00 C ATOM 128 CG1 ILE A 8 106.781 115.638 -38.812 1.00 0.00 C ATOM 129 CG2 ILE A 8 108.188 117.546 -37.964 1.00 0.00 C ATOM 130 CD1 ILE A 8 107.076 115.756 -40.307 1.00 0.00 C ATOM 0 H ILE A 8 104.479 116.190 -37.909 1.00 0.00 H new ATOM 0 HA ILE A 8 106.593 116.256 -36.088 1.00 0.00 H new ATOM 0 HB ILE A 8 106.196 117.688 -38.740 1.00 0.00 H new ATOM 0 HG12 ILE A 8 107.532 115.001 -38.345 1.00 0.00 H new ATOM 0 HG13 ILE A 8 105.817 115.150 -38.671 1.00 0.00 H new ATOM 0 HG21 ILE A 8 108.667 117.584 -38.942 1.00 0.00 H new ATOM 0 HG22 ILE A 8 108.152 118.549 -37.538 1.00 0.00 H new ATOM 0 HG23 ILE A 8 108.760 116.893 -37.305 1.00 0.00 H new ATOM 0 HD11 ILE A 8 107.076 114.763 -40.757 1.00 0.00 H new ATOM 0 HD12 ILE A 8 106.310 116.370 -40.782 1.00 0.00 H new ATOM 0 HD13 ILE A 8 108.052 116.219 -40.450 1.00 0.00 H new ATOM 142 N LYS A 9 105.250 119.223 -36.697 1.00 0.00 N ATOM 143 CA LYS A 9 105.119 120.573 -36.174 1.00 0.00 C ATOM 144 C LYS A 9 104.714 120.577 -34.687 1.00 0.00 C ATOM 145 O LYS A 9 105.337 121.226 -33.856 1.00 0.00 O ATOM 146 CB LYS A 9 104.041 121.293 -36.982 1.00 0.00 C ATOM 147 CG LYS A 9 104.140 122.813 -36.852 1.00 0.00 C ATOM 148 CD LYS A 9 104.918 123.436 -38.011 1.00 0.00 C ATOM 149 CE LYS A 9 106.403 123.073 -37.962 1.00 0.00 C ATOM 150 NZ LYS A 9 107.010 123.390 -36.675 1.00 0.00 N ATOM 0 H LYS A 9 104.689 119.027 -37.526 1.00 0.00 H new ATOM 0 HA LYS A 9 106.084 121.073 -36.258 1.00 0.00 H new ATOM 0 HB2 LYS A 9 104.129 121.013 -38.032 1.00 0.00 H new ATOM 0 HB3 LYS A 9 103.057 120.965 -36.646 1.00 0.00 H new ATOM 0 HG2 LYS A 9 103.138 123.240 -36.817 1.00 0.00 H new ATOM 0 HG3 LYS A 9 104.628 123.066 -35.910 1.00 0.00 H new ATOM 0 HD2 LYS A 9 104.493 123.099 -38.956 1.00 0.00 H new ATOM 0 HD3 LYS A 9 104.808 124.520 -37.981 1.00 0.00 H new ATOM 0 HE2 LYS A 9 106.521 122.008 -38.164 1.00 0.00 H new ATOM 0 HE3 LYS A 9 106.931 123.608 -38.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 108.020 123.142 -36.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 106.908 124.407 -36.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 106.536 122.847 -35.925 1.00 0.00 H new ATOM 164 N ALA A 10 103.638 119.813 -34.413 1.00 0.00 N ATOM 165 CA ALA A 10 103.035 119.872 -33.090 1.00 0.00 C ATOM 166 C ALA A 10 103.962 119.252 -32.029 1.00 0.00 C ATOM 167 O ALA A 10 104.168 119.818 -30.963 1.00 0.00 O ATOM 168 CB ALA A 10 101.685 119.147 -33.089 1.00 0.00 C ATOM 0 H ALA A 10 103.191 119.174 -35.070 1.00 0.00 H new ATOM 0 HA ALA A 10 102.880 120.921 -32.839 1.00 0.00 H new ATOM 0 HB1 ALA A 10 101.245 119.199 -32.093 1.00 0.00 H new ATOM 0 HB2 ALA A 10 101.016 119.622 -33.806 1.00 0.00 H new ATOM 0 HB3 ALA A 10 101.832 118.103 -33.367 1.00 0.00 H new ATOM 174 N SER A 11 104.505 118.064 -32.378 1.00 0.00 N ATOM 175 CA SER A 11 105.511 117.462 -31.516 1.00 0.00 C ATOM 176 C SER A 11 106.650 118.437 -31.160 1.00 0.00 C ATOM 177 O SER A 11 107.033 118.577 -30.006 1.00 0.00 O ATOM 178 CB SER A 11 106.099 116.218 -32.199 1.00 0.00 C ATOM 179 OG SER A 11 107.255 115.683 -31.566 1.00 0.00 O ATOM 0 H SER A 11 104.268 117.533 -33.216 1.00 0.00 H new ATOM 0 HA SER A 11 105.014 117.189 -30.585 1.00 0.00 H new ATOM 0 HB2 SER A 11 105.332 115.445 -32.238 1.00 0.00 H new ATOM 0 HB3 SER A 11 106.350 116.470 -33.229 1.00 0.00 H new ATOM 0 HG SER A 11 107.078 114.760 -31.287 1.00 0.00 H new ATOM 185 N ASN A 12 107.147 119.079 -32.241 1.00 0.00 N ATOM 186 CA ASN A 12 108.244 120.043 -32.212 1.00 0.00 C ATOM 187 C ASN A 12 109.491 119.437 -32.855 1.00 0.00 C ATOM 188 O ASN A 12 110.514 119.227 -32.214 1.00 0.00 O ATOM 189 CB ASN A 12 108.578 120.540 -30.802 1.00 0.00 C ATOM 190 CG ASN A 12 109.513 121.749 -30.880 1.00 0.00 C ATOM 191 OD1 ASN A 12 110.663 121.705 -30.462 1.00 0.00 O ATOM 192 ND2 ASN A 12 108.935 122.825 -31.443 1.00 0.00 N ATOM 0 H ASN A 12 106.778 118.929 -33.180 1.00 0.00 H new ATOM 0 HA ASN A 12 107.909 120.910 -32.781 1.00 0.00 H new ATOM 0 HB2 ASN A 12 107.662 120.812 -30.277 1.00 0.00 H new ATOM 0 HB3 ASN A 12 109.049 119.742 -30.229 1.00 0.00 H new ATOM 0 HD21 ASN A 12 109.463 123.691 -31.548 1.00 0.00 H new ATOM 0 HD22 ASN A 12 107.969 122.775 -31.765 1.00 0.00 H new ATOM 199 N ASP A 13 109.328 119.170 -34.165 1.00 0.00 N ATOM 200 CA ASP A 13 110.464 118.708 -34.955 1.00 0.00 C ATOM 201 C ASP A 13 111.186 117.516 -34.295 1.00 0.00 C ATOM 202 O ASP A 13 112.405 117.493 -34.176 1.00 0.00 O ATOM 203 CB ASP A 13 111.448 119.860 -35.161 1.00 0.00 C ATOM 204 CG ASP A 13 112.225 119.652 -36.463 1.00 0.00 C ATOM 205 OD1 ASP A 13 113.252 118.975 -36.432 1.00 0.00 O ATOM 206 OD2 ASP A 13 111.794 120.168 -37.494 1.00 0.00 O ATOM 0 H ASP A 13 108.450 119.264 -34.676 1.00 0.00 H new ATOM 0 HA ASP A 13 110.081 118.366 -35.916 1.00 0.00 H new ATOM 0 HB2 ASP A 13 110.911 120.808 -35.195 1.00 0.00 H new ATOM 0 HB3 ASP A 13 112.139 119.915 -34.320 1.00 0.00 H new ATOM 211 N VAL A 14 110.355 116.539 -33.879 1.00 0.00 N ATOM 212 CA VAL A 14 110.855 115.191 -33.661 1.00 0.00 C ATOM 213 C VAL A 14 110.614 114.352 -34.921 1.00 0.00 C ATOM 214 O VAL A 14 111.540 113.888 -35.574 1.00 0.00 O ATOM 215 CB VAL A 14 110.128 114.593 -32.455 1.00 0.00 C ATOM 216 CG1 VAL A 14 110.373 113.087 -32.320 1.00 0.00 C ATOM 217 CG2 VAL A 14 110.530 115.315 -31.169 1.00 0.00 C ATOM 0 H VAL A 14 109.360 116.665 -33.694 1.00 0.00 H new ATOM 0 HA VAL A 14 111.926 115.203 -33.460 1.00 0.00 H new ATOM 0 HB VAL A 14 109.060 114.736 -32.623 1.00 0.00 H new ATOM 0 HG11 VAL A 14 109.837 112.708 -31.450 1.00 0.00 H new ATOM 0 HG12 VAL A 14 110.017 112.579 -33.216 1.00 0.00 H new ATOM 0 HG13 VAL A 14 111.440 112.901 -32.198 1.00 0.00 H new ATOM 0 HG21 VAL A 14 110.002 114.874 -30.324 1.00 0.00 H new ATOM 0 HG22 VAL A 14 111.605 115.216 -31.017 1.00 0.00 H new ATOM 0 HG23 VAL A 14 110.271 116.371 -31.248 1.00 0.00 H new ATOM 227 N LEU A 15 109.308 114.191 -35.211 1.00 0.00 N ATOM 228 CA LEU A 15 108.934 113.169 -36.168 1.00 0.00 C ATOM 229 C LEU A 15 109.486 113.540 -37.548 1.00 0.00 C ATOM 230 O LEU A 15 109.899 114.666 -37.802 1.00 0.00 O ATOM 231 CB LEU A 15 107.408 113.038 -36.256 1.00 0.00 C ATOM 232 CG LEU A 15 106.704 112.584 -34.969 1.00 0.00 C ATOM 233 CD1 LEU A 15 107.154 111.202 -34.486 1.00 0.00 C ATOM 234 CD2 LEU A 15 106.826 113.613 -33.849 1.00 0.00 C ATOM 0 H LEU A 15 108.540 114.732 -34.813 1.00 0.00 H new ATOM 0 HA LEU A 15 109.350 112.217 -35.839 1.00 0.00 H new ATOM 0 HB2 LEU A 15 106.995 114.002 -36.553 1.00 0.00 H new ATOM 0 HB3 LEU A 15 107.168 112.330 -37.049 1.00 0.00 H new ATOM 0 HG LEU A 15 105.651 112.498 -35.236 1.00 0.00 H new ATOM 0 HD11 LEU A 15 106.618 110.943 -33.573 1.00 0.00 H new ATOM 0 HD12 LEU A 15 106.940 110.460 -35.255 1.00 0.00 H new ATOM 0 HD13 LEU A 15 108.225 111.218 -34.285 1.00 0.00 H new ATOM 0 HD21 LEU A 15 106.312 113.246 -32.960 1.00 0.00 H new ATOM 0 HD22 LEU A 15 107.879 113.776 -33.618 1.00 0.00 H new ATOM 0 HD23 LEU A 15 106.374 114.553 -34.167 1.00 0.00 H new ATOM 246 N ASN A 16 109.459 112.513 -38.418 1.00 0.00 N ATOM 247 CA ASN A 16 109.402 112.780 -39.848 1.00 0.00 C ATOM 248 C ASN A 16 107.924 112.831 -40.275 1.00 0.00 C ATOM 249 O ASN A 16 107.039 113.062 -39.461 1.00 0.00 O ATOM 250 CB ASN A 16 110.196 111.703 -40.604 1.00 0.00 C ATOM 251 CG ASN A 16 111.672 111.745 -40.201 1.00 0.00 C ATOM 252 OD1 ASN A 16 112.214 110.808 -39.627 1.00 0.00 O ATOM 253 ND2 ASN A 16 112.278 112.897 -40.543 1.00 0.00 N ATOM 0 H ASN A 16 109.475 111.527 -38.158 1.00 0.00 H new ATOM 0 HA ASN A 16 109.858 113.740 -40.088 1.00 0.00 H new ATOM 0 HB2 ASN A 16 109.782 110.718 -40.388 1.00 0.00 H new ATOM 0 HB3 ASN A 16 110.101 111.860 -41.678 1.00 0.00 H new ATOM 0 HD21 ASN A 16 113.264 113.039 -40.325 1.00 0.00 H new ATOM 0 HD22 ASN A 16 111.751 113.628 -41.021 1.00 0.00 H new ATOM 260 N GLU A 17 107.704 112.603 -41.587 1.00 0.00 N ATOM 261 CA GLU A 17 106.494 111.898 -41.992 1.00 0.00 C ATOM 262 C GLU A 17 106.343 110.554 -41.254 1.00 0.00 C ATOM 263 O GLU A 17 105.337 110.283 -40.613 1.00 0.00 O ATOM 264 CB GLU A 17 106.527 111.658 -43.501 1.00 0.00 C ATOM 265 CG GLU A 17 106.565 112.969 -44.289 1.00 0.00 C ATOM 266 CD GLU A 17 108.014 113.434 -44.456 1.00 0.00 C ATOM 267 OE1 GLU A 17 108.804 112.696 -45.043 1.00 0.00 O ATOM 268 OE2 GLU A 17 108.335 114.529 -43.997 1.00 0.00 O ATOM 0 H GLU A 17 108.324 112.886 -42.346 1.00 0.00 H new ATOM 0 HA GLU A 17 105.637 112.519 -41.730 1.00 0.00 H new ATOM 0 HB2 GLU A 17 107.401 111.058 -43.754 1.00 0.00 H new ATOM 0 HB3 GLU A 17 105.649 111.083 -43.796 1.00 0.00 H new ATOM 0 HG2 GLU A 17 106.104 112.829 -45.267 1.00 0.00 H new ATOM 0 HG3 GLU A 17 105.986 113.733 -43.770 1.00 0.00 H new ATOM 275 N LYS A 18 107.408 109.742 -41.393 1.00 0.00 N ATOM 276 CA LYS A 18 107.248 108.313 -41.180 1.00 0.00 C ATOM 277 C LYS A 18 106.859 107.992 -39.726 1.00 0.00 C ATOM 278 O LYS A 18 105.917 107.253 -39.470 1.00 0.00 O ATOM 279 CB LYS A 18 108.552 107.608 -41.546 1.00 0.00 C ATOM 280 CG LYS A 18 108.945 107.873 -42.995 1.00 0.00 C ATOM 281 CD LYS A 18 110.065 106.942 -43.452 1.00 0.00 C ATOM 282 CE LYS A 18 111.006 107.620 -44.448 1.00 0.00 C ATOM 283 NZ LYS A 18 112.378 107.142 -44.330 1.00 0.00 N ATOM 0 H LYS A 18 108.349 110.046 -41.642 1.00 0.00 H new ATOM 0 HA LYS A 18 106.438 107.957 -41.816 1.00 0.00 H new ATOM 0 HB2 LYS A 18 109.349 107.948 -40.884 1.00 0.00 H new ATOM 0 HB3 LYS A 18 108.443 106.535 -41.388 1.00 0.00 H new ATOM 0 HG2 LYS A 18 108.075 107.740 -43.639 1.00 0.00 H new ATOM 0 HG3 LYS A 18 109.266 108.909 -43.102 1.00 0.00 H new ATOM 0 HD2 LYS A 18 110.635 106.608 -42.585 1.00 0.00 H new ATOM 0 HD3 LYS A 18 109.632 106.053 -43.910 1.00 0.00 H new ATOM 0 HE2 LYS A 18 110.648 107.441 -45.462 1.00 0.00 H new ATOM 0 HE3 LYS A 18 110.985 108.698 -44.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 112.977 107.631 -45.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 112.732 107.336 -43.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 112.405 106.118 -44.509 1.00 0.00 H new ATOM 297 N THR A 19 107.633 108.588 -38.799 1.00 0.00 N ATOM 298 CA THR A 19 107.285 108.431 -37.394 1.00 0.00 C ATOM 299 C THR A 19 105.960 109.119 -37.010 1.00 0.00 C ATOM 300 O THR A 19 105.241 108.652 -36.137 1.00 0.00 O ATOM 301 CB THR A 19 108.431 108.968 -36.535 1.00 0.00 C ATOM 302 OG1 THR A 19 108.726 110.305 -36.870 1.00 0.00 O ATOM 303 CG2 THR A 19 109.680 108.091 -36.663 1.00 0.00 C ATOM 0 H THR A 19 108.460 109.153 -38.992 1.00 0.00 H new ATOM 0 HA THR A 19 107.134 107.367 -37.213 1.00 0.00 H new ATOM 0 HB THR A 19 108.106 108.939 -35.495 1.00 0.00 H new ATOM 0 HG1 THR A 19 109.697 110.434 -36.877 1.00 0.00 H new ATOM 0 HG21 THR A 19 110.476 108.499 -36.041 1.00 0.00 H new ATOM 0 HG22 THR A 19 109.448 107.077 -36.337 1.00 0.00 H new ATOM 0 HG23 THR A 19 110.006 108.072 -37.703 1.00 0.00 H new ATOM 311 N ALA A 20 105.676 110.246 -37.687 1.00 0.00 N ATOM 312 CA ALA A 20 104.433 110.945 -37.409 1.00 0.00 C ATOM 313 C ALA A 20 103.199 110.075 -37.726 1.00 0.00 C ATOM 314 O ALA A 20 102.271 109.993 -36.932 1.00 0.00 O ATOM 315 CB ALA A 20 104.402 112.222 -38.255 1.00 0.00 C ATOM 0 H ALA A 20 106.270 110.670 -38.400 1.00 0.00 H new ATOM 0 HA ALA A 20 104.393 111.182 -36.346 1.00 0.00 H new ATOM 0 HB1 ALA A 20 103.476 112.764 -38.062 1.00 0.00 H new ATOM 0 HB2 ALA A 20 105.252 112.852 -37.994 1.00 0.00 H new ATOM 0 HB3 ALA A 20 104.456 111.960 -39.312 1.00 0.00 H new ATOM 321 N THR A 21 103.236 109.434 -38.912 1.00 0.00 N ATOM 322 CA THR A 21 102.136 108.533 -39.243 1.00 0.00 C ATOM 323 C THR A 21 102.090 107.281 -38.339 1.00 0.00 C ATOM 324 O THR A 21 101.025 106.817 -37.952 1.00 0.00 O ATOM 325 CB THR A 21 102.182 108.178 -40.734 1.00 0.00 C ATOM 326 OG1 THR A 21 100.922 107.753 -41.205 1.00 0.00 O ATOM 327 CG2 THR A 21 103.279 107.174 -41.105 1.00 0.00 C ATOM 0 H THR A 21 103.972 109.520 -39.613 1.00 0.00 H new ATOM 0 HA THR A 21 101.202 109.059 -39.044 1.00 0.00 H new ATOM 0 HB THR A 21 102.447 109.106 -41.241 1.00 0.00 H new ATOM 0 HG1 THR A 21 100.985 107.536 -42.159 1.00 0.00 H new ATOM 0 HG21 THR A 21 103.244 106.976 -42.176 1.00 0.00 H new ATOM 0 HG22 THR A 21 104.253 107.587 -40.844 1.00 0.00 H new ATOM 0 HG23 THR A 21 103.121 106.244 -40.559 1.00 0.00 H new ATOM 335 N ILE A 22 103.295 106.765 -38.038 1.00 0.00 N ATOM 336 CA ILE A 22 103.382 105.541 -37.253 1.00 0.00 C ATOM 337 C ILE A 22 102.866 105.756 -35.820 1.00 0.00 C ATOM 338 O ILE A 22 102.028 105.012 -35.324 1.00 0.00 O ATOM 339 CB ILE A 22 104.847 105.100 -37.215 1.00 0.00 C ATOM 340 CG1 ILE A 22 105.347 104.748 -38.622 1.00 0.00 C ATOM 341 CG2 ILE A 22 105.095 103.968 -36.208 1.00 0.00 C ATOM 342 CD1 ILE A 22 105.282 103.249 -38.928 1.00 0.00 C ATOM 0 H ILE A 22 104.189 107.167 -38.319 1.00 0.00 H new ATOM 0 HA ILE A 22 102.760 104.775 -37.715 1.00 0.00 H new ATOM 0 HB ILE A 22 105.433 105.947 -36.858 1.00 0.00 H new ATOM 0 HG12 ILE A 22 104.752 105.289 -39.358 1.00 0.00 H new ATOM 0 HG13 ILE A 22 106.376 105.090 -38.731 1.00 0.00 H new ATOM 0 HG21 ILE A 22 106.150 103.694 -36.222 1.00 0.00 H new ATOM 0 HG22 ILE A 22 104.820 104.304 -35.208 1.00 0.00 H new ATOM 0 HG23 ILE A 22 104.491 103.102 -36.478 1.00 0.00 H new ATOM 0 HD11 ILE A 22 105.650 103.068 -39.938 1.00 0.00 H new ATOM 0 HD12 ILE A 22 105.900 102.705 -38.214 1.00 0.00 H new ATOM 0 HD13 ILE A 22 104.250 102.906 -38.850 1.00 0.00 H new ATOM 354 N LEU A 23 103.418 106.815 -35.194 1.00 0.00 N ATOM 355 CA LEU A 23 102.894 107.249 -33.906 1.00 0.00 C ATOM 356 C LEU A 23 101.366 107.455 -33.941 1.00 0.00 C ATOM 357 O LEU A 23 100.674 107.153 -32.978 1.00 0.00 O ATOM 358 CB LEU A 23 103.605 108.550 -33.497 1.00 0.00 C ATOM 359 CG LEU A 23 102.900 109.354 -32.398 1.00 0.00 C ATOM 360 CD1 LEU A 23 102.790 108.538 -31.110 1.00 0.00 C ATOM 361 CD2 LEU A 23 103.625 110.677 -32.145 1.00 0.00 C ATOM 0 H LEU A 23 104.200 107.363 -35.553 1.00 0.00 H new ATOM 0 HA LEU A 23 103.087 106.468 -33.171 1.00 0.00 H new ATOM 0 HB2 LEU A 23 104.612 108.306 -33.159 1.00 0.00 H new ATOM 0 HB3 LEU A 23 103.710 109.182 -34.379 1.00 0.00 H new ATOM 0 HG LEU A 23 101.890 109.581 -32.739 1.00 0.00 H new ATOM 0 HD11 LEU A 23 102.286 109.130 -30.346 1.00 0.00 H new ATOM 0 HD12 LEU A 23 102.217 107.631 -31.302 1.00 0.00 H new ATOM 0 HD13 LEU A 23 103.788 108.270 -30.762 1.00 0.00 H new ATOM 0 HD21 LEU A 23 103.108 111.231 -31.362 1.00 0.00 H new ATOM 0 HD22 LEU A 23 104.650 110.476 -31.832 1.00 0.00 H new ATOM 0 HD23 LEU A 23 103.635 111.267 -33.061 1.00 0.00 H new ATOM 373 N ILE A 24 100.889 107.998 -35.076 1.00 0.00 N ATOM 374 CA ILE A 24 99.458 108.189 -35.219 1.00 0.00 C ATOM 375 C ILE A 24 98.701 106.850 -35.268 1.00 0.00 C ATOM 376 O ILE A 24 97.681 106.676 -34.615 1.00 0.00 O ATOM 377 CB ILE A 24 99.222 109.039 -36.462 1.00 0.00 C ATOM 378 CG1 ILE A 24 99.722 110.453 -36.173 1.00 0.00 C ATOM 379 CG2 ILE A 24 97.764 109.017 -36.932 1.00 0.00 C ATOM 380 CD1 ILE A 24 98.631 111.331 -35.561 1.00 0.00 C ATOM 0 H ILE A 24 101.456 108.297 -35.870 1.00 0.00 H new ATOM 0 HA ILE A 24 99.062 108.707 -34.346 1.00 0.00 H new ATOM 0 HB ILE A 24 99.783 108.616 -37.296 1.00 0.00 H new ATOM 0 HG12 ILE A 24 100.573 110.405 -35.493 1.00 0.00 H new ATOM 0 HG13 ILE A 24 100.078 110.908 -37.097 1.00 0.00 H new ATOM 0 HG21 ILE A 24 97.659 109.640 -37.820 1.00 0.00 H new ATOM 0 HG22 ILE A 24 97.474 107.994 -37.170 1.00 0.00 H new ATOM 0 HG23 ILE A 24 97.121 109.402 -36.141 1.00 0.00 H new ATOM 0 HD11 ILE A 24 99.030 112.328 -35.372 1.00 0.00 H new ATOM 0 HD12 ILE A 24 97.791 111.402 -36.252 1.00 0.00 H new ATOM 0 HD13 ILE A 24 98.293 110.891 -34.623 1.00 0.00 H new ATOM 392 N THR A 25 99.251 105.926 -36.077 1.00 0.00 N ATOM 393 CA THR A 25 98.567 104.654 -36.248 1.00 0.00 C ATOM 394 C THR A 25 98.391 103.921 -34.900 1.00 0.00 C ATOM 395 O THR A 25 97.315 103.423 -34.590 1.00 0.00 O ATOM 396 CB THR A 25 99.341 103.770 -37.239 1.00 0.00 C ATOM 397 OG1 THR A 25 100.033 104.527 -38.210 1.00 0.00 O ATOM 398 CG2 THR A 25 98.427 102.746 -37.916 1.00 0.00 C ATOM 0 H THR A 25 100.123 106.035 -36.594 1.00 0.00 H new ATOM 0 HA THR A 25 97.573 104.856 -36.647 1.00 0.00 H new ATOM 0 HB THR A 25 100.084 103.233 -36.649 1.00 0.00 H new ATOM 0 HG1 THR A 25 100.630 105.163 -37.764 1.00 0.00 H new ATOM 0 HG21 THR A 25 99.010 102.140 -38.609 1.00 0.00 H new ATOM 0 HG22 THR A 25 97.979 102.102 -37.159 1.00 0.00 H new ATOM 0 HG23 THR A 25 97.640 103.266 -38.462 1.00 0.00 H new ATOM 406 N ILE A 26 99.494 103.886 -34.124 1.00 0.00 N ATOM 407 CA ILE A 26 99.363 103.421 -32.749 1.00 0.00 C ATOM 408 C ILE A 26 98.411 104.313 -31.932 1.00 0.00 C ATOM 409 O ILE A 26 97.495 103.839 -31.272 1.00 0.00 O ATOM 410 CB ILE A 26 100.728 103.408 -32.061 1.00 0.00 C ATOM 411 CG1 ILE A 26 101.791 102.635 -32.847 1.00 0.00 C ATOM 412 CG2 ILE A 26 100.593 102.832 -30.655 1.00 0.00 C ATOM 413 CD1 ILE A 26 103.137 103.354 -32.796 1.00 0.00 C ATOM 0 H ILE A 26 100.433 104.160 -34.414 1.00 0.00 H new ATOM 0 HA ILE A 26 98.950 102.413 -32.791 1.00 0.00 H new ATOM 0 HB ILE A 26 101.068 104.442 -32.012 1.00 0.00 H new ATOM 0 HG12 ILE A 26 101.895 101.631 -32.435 1.00 0.00 H new ATOM 0 HG13 ILE A 26 101.473 102.523 -33.884 1.00 0.00 H new ATOM 0 HG21 ILE A 26 101.569 102.825 -30.169 1.00 0.00 H new ATOM 0 HG22 ILE A 26 99.903 103.445 -30.075 1.00 0.00 H new ATOM 0 HG23 ILE A 26 100.210 101.813 -30.714 1.00 0.00 H new ATOM 0 HD11 ILE A 26 103.875 102.785 -33.362 1.00 0.00 H new ATOM 0 HD12 ILE A 26 103.035 104.349 -33.230 1.00 0.00 H new ATOM 0 HD13 ILE A 26 103.463 103.442 -31.760 1.00 0.00 H new ATOM 425 N ALA A 27 98.694 105.625 -32.026 1.00 0.00 N ATOM 426 CA ALA A 27 98.043 106.582 -31.133 1.00 0.00 C ATOM 427 C ALA A 27 96.508 106.448 -31.153 1.00 0.00 C ATOM 428 O ALA A 27 95.861 106.414 -30.113 1.00 0.00 O ATOM 429 CB ALA A 27 98.418 108.010 -31.535 1.00 0.00 C ATOM 0 H ALA A 27 99.350 106.032 -32.693 1.00 0.00 H new ATOM 0 HA ALA A 27 98.391 106.364 -30.123 1.00 0.00 H new ATOM 0 HB1 ALA A 27 97.929 108.717 -30.865 1.00 0.00 H new ATOM 0 HB2 ALA A 27 99.499 108.135 -31.468 1.00 0.00 H new ATOM 0 HB3 ALA A 27 98.094 108.197 -32.559 1.00 0.00 H new ATOM 435 N LYS A 28 95.970 106.378 -32.387 1.00 0.00 N ATOM 436 CA LYS A 28 94.542 106.152 -32.547 1.00 0.00 C ATOM 437 C LYS A 28 94.109 104.858 -31.837 1.00 0.00 C ATOM 438 O LYS A 28 93.245 104.856 -30.968 1.00 0.00 O ATOM 439 CB LYS A 28 94.183 106.116 -34.042 1.00 0.00 C ATOM 440 CG LYS A 28 93.400 107.360 -34.460 1.00 0.00 C ATOM 441 CD LYS A 28 94.239 108.632 -34.334 1.00 0.00 C ATOM 442 CE LYS A 28 93.371 109.890 -34.306 1.00 0.00 C ATOM 443 NZ LYS A 28 92.930 110.290 -35.637 1.00 0.00 N ATOM 0 H LYS A 28 96.494 106.473 -33.257 1.00 0.00 H new ATOM 0 HA LYS A 28 94.000 106.976 -32.082 1.00 0.00 H new ATOM 0 HB2 LYS A 28 95.095 106.043 -34.635 1.00 0.00 H new ATOM 0 HB3 LYS A 28 93.592 105.225 -34.254 1.00 0.00 H new ATOM 0 HG2 LYS A 28 93.064 107.248 -35.491 1.00 0.00 H new ATOM 0 HG3 LYS A 28 92.507 107.452 -33.842 1.00 0.00 H new ATOM 0 HD2 LYS A 28 94.837 108.583 -33.424 1.00 0.00 H new ATOM 0 HD3 LYS A 28 94.936 108.691 -35.170 1.00 0.00 H new ATOM 0 HE2 LYS A 28 92.500 109.713 -33.675 1.00 0.00 H new ATOM 0 HE3 LYS A 28 93.933 110.706 -33.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 92.345 111.147 -35.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 93.759 110.485 -36.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 92.371 109.523 -36.062 1.00 0.00 H new ATOM 457 N LYS A 29 94.769 103.768 -32.270 1.00 0.00 N ATOM 458 CA LYS A 29 94.269 102.445 -31.957 1.00 0.00 C ATOM 459 C LYS A 29 94.880 101.968 -30.633 1.00 0.00 C ATOM 460 O LYS A 29 96.087 101.809 -30.497 1.00 0.00 O ATOM 461 CB LYS A 29 94.661 101.481 -33.070 1.00 0.00 C ATOM 462 CG LYS A 29 94.048 100.106 -32.845 1.00 0.00 C ATOM 463 CD LYS A 29 94.313 99.185 -34.031 1.00 0.00 C ATOM 464 CE LYS A 29 93.147 99.176 -35.019 1.00 0.00 C ATOM 465 NZ LYS A 29 92.255 98.041 -34.817 1.00 0.00 N ATOM 0 H LYS A 29 95.626 103.788 -32.822 1.00 0.00 H new ATOM 0 HA LYS A 29 93.183 102.478 -31.866 1.00 0.00 H new ATOM 0 HB2 LYS A 29 94.332 101.877 -34.031 1.00 0.00 H new ATOM 0 HB3 LYS A 29 95.747 101.396 -33.116 1.00 0.00 H new ATOM 0 HG2 LYS A 29 94.461 99.664 -31.938 1.00 0.00 H new ATOM 0 HG3 LYS A 29 92.974 100.205 -32.690 1.00 0.00 H new ATOM 0 HD2 LYS A 29 95.220 99.505 -34.543 1.00 0.00 H new ATOM 0 HD3 LYS A 29 94.491 98.172 -33.671 1.00 0.00 H new ATOM 0 HE2 LYS A 29 92.581 100.102 -34.917 1.00 0.00 H new ATOM 0 HE3 LYS A 29 93.537 99.151 -36.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 91.368 98.199 -35.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 92.711 97.174 -35.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 92.048 97.938 -33.803 1.00 0.00 H new ATOM 479 N ASP A 30 93.960 101.753 -29.678 1.00 0.00 N ATOM 480 CA ASP A 30 94.344 101.330 -28.349 1.00 0.00 C ATOM 481 C ASP A 30 94.426 99.799 -28.301 1.00 0.00 C ATOM 482 O ASP A 30 93.423 99.104 -28.402 1.00 0.00 O ATOM 483 CB ASP A 30 93.295 101.820 -27.356 1.00 0.00 C ATOM 484 CG ASP A 30 93.323 103.349 -27.272 1.00 0.00 C ATOM 485 OD1 ASP A 30 92.946 103.996 -28.248 1.00 0.00 O ATOM 486 OD2 ASP A 30 93.719 103.872 -26.231 1.00 0.00 O ATOM 0 H ASP A 30 92.956 101.868 -29.814 1.00 0.00 H new ATOM 0 HA ASP A 30 95.318 101.746 -28.093 1.00 0.00 H new ATOM 0 HB2 ASP A 30 92.305 101.483 -27.665 1.00 0.00 H new ATOM 0 HB3 ASP A 30 93.485 101.390 -26.372 1.00 0.00 H new ATOM 491 N PHE A 31 95.681 99.331 -28.146 1.00 0.00 N ATOM 492 CA PHE A 31 96.015 97.962 -28.531 1.00 0.00 C ATOM 493 C PHE A 31 95.691 97.743 -30.016 1.00 0.00 C ATOM 494 O PHE A 31 94.876 96.907 -30.389 1.00 0.00 O ATOM 495 CB PHE A 31 95.277 96.927 -27.668 1.00 0.00 C ATOM 496 CG PHE A 31 95.705 96.966 -26.224 1.00 0.00 C ATOM 497 CD1 PHE A 31 95.169 97.952 -25.356 1.00 0.00 C ATOM 498 CD2 PHE A 31 96.634 96.025 -25.709 1.00 0.00 C ATOM 499 CE1 PHE A 31 95.545 97.992 -23.992 1.00 0.00 C ATOM 500 CE2 PHE A 31 97.009 96.060 -24.343 1.00 0.00 C ATOM 501 CZ PHE A 31 96.464 97.043 -23.484 1.00 0.00 C ATOM 0 H PHE A 31 96.457 99.872 -27.766 1.00 0.00 H new ATOM 0 HA PHE A 31 97.083 97.822 -28.366 1.00 0.00 H new ATOM 0 HB2 PHE A 31 94.204 97.107 -27.730 1.00 0.00 H new ATOM 0 HB3 PHE A 31 95.457 95.930 -28.070 1.00 0.00 H new ATOM 0 HD1 PHE A 31 94.468 98.678 -25.739 1.00 0.00 H new ATOM 0 HD2 PHE A 31 97.058 95.277 -26.363 1.00 0.00 H new ATOM 0 HE1 PHE A 31 95.131 98.746 -23.339 1.00 0.00 H new ATOM 0 HE2 PHE A 31 97.711 95.336 -23.957 1.00 0.00 H new ATOM 0 HZ PHE A 31 96.749 97.069 -22.443 1.00 0.00 H new ATOM 511 N ILE A 32 96.394 98.561 -30.826 1.00 0.00 N ATOM 512 CA ILE A 32 97.100 98.080 -31.999 1.00 0.00 C ATOM 513 C ILE A 32 98.000 96.887 -31.639 1.00 0.00 C ATOM 514 O ILE A 32 97.877 96.282 -30.583 1.00 0.00 O ATOM 515 CB ILE A 32 97.878 99.259 -32.616 1.00 0.00 C ATOM 516 CG1 ILE A 32 98.020 99.073 -34.121 1.00 0.00 C ATOM 517 CG2 ILE A 32 99.243 99.496 -31.964 1.00 0.00 C ATOM 518 CD1 ILE A 32 98.235 100.403 -34.840 1.00 0.00 C ATOM 0 H ILE A 32 96.479 99.566 -30.674 1.00 0.00 H new ATOM 0 HA ILE A 32 96.398 97.708 -32.745 1.00 0.00 H new ATOM 0 HB ILE A 32 97.290 100.155 -32.418 1.00 0.00 H new ATOM 0 HG12 ILE A 32 98.859 98.409 -34.327 1.00 0.00 H new ATOM 0 HG13 ILE A 32 97.126 98.588 -34.513 1.00 0.00 H new ATOM 0 HG21 ILE A 32 99.735 100.340 -32.447 1.00 0.00 H new ATOM 0 HG22 ILE A 32 99.107 99.713 -30.904 1.00 0.00 H new ATOM 0 HG23 ILE A 32 99.859 98.604 -32.076 1.00 0.00 H new ATOM 0 HD11 ILE A 32 98.331 100.226 -35.911 1.00 0.00 H new ATOM 0 HD12 ILE A 32 97.384 101.058 -34.656 1.00 0.00 H new ATOM 0 HD13 ILE A 32 99.144 100.875 -34.467 1.00 0.00 H new ATOM 530 N THR A 33 98.905 96.586 -32.585 1.00 0.00 N ATOM 531 CA THR A 33 100.245 96.194 -32.171 1.00 0.00 C ATOM 532 C THR A 33 101.258 96.756 -33.176 1.00 0.00 C ATOM 533 O THR A 33 100.906 97.385 -34.167 1.00 0.00 O ATOM 534 CB THR A 33 100.350 94.661 -32.083 1.00 0.00 C ATOM 535 OG1 THR A 33 100.490 94.065 -33.353 1.00 0.00 O ATOM 536 CG2 THR A 33 99.180 94.025 -31.317 1.00 0.00 C ATOM 0 H THR A 33 98.739 96.606 -33.591 1.00 0.00 H new ATOM 0 HA THR A 33 100.460 96.598 -31.182 1.00 0.00 H new ATOM 0 HB THR A 33 101.257 94.463 -31.512 1.00 0.00 H new ATOM 0 HG1 THR A 33 99.604 93.931 -33.751 1.00 0.00 H new ATOM 0 HG21 THR A 33 99.309 92.943 -31.288 1.00 0.00 H new ATOM 0 HG22 THR A 33 99.156 94.415 -30.299 1.00 0.00 H new ATOM 0 HG23 THR A 33 98.243 94.265 -31.819 1.00 0.00 H new ATOM 544 N ALA A 34 102.536 96.485 -32.861 1.00 0.00 N ATOM 545 CA ALA A 34 103.548 96.597 -33.908 1.00 0.00 C ATOM 546 C ALA A 34 103.187 95.805 -35.186 1.00 0.00 C ATOM 547 O ALA A 34 103.459 96.241 -36.298 1.00 0.00 O ATOM 548 CB ALA A 34 104.895 96.119 -33.365 1.00 0.00 C ATOM 0 H ALA A 34 102.874 96.203 -31.941 1.00 0.00 H new ATOM 0 HA ALA A 34 103.601 97.647 -34.194 1.00 0.00 H new ATOM 0 HB1 ALA A 34 105.652 96.202 -34.145 1.00 0.00 H new ATOM 0 HB2 ALA A 34 105.183 96.735 -32.513 1.00 0.00 H new ATOM 0 HB3 ALA A 34 104.812 95.079 -33.049 1.00 0.00 H new ATOM 554 N ALA A 35 102.567 94.629 -34.962 1.00 0.00 N ATOM 555 CA ALA A 35 102.103 93.830 -36.085 1.00 0.00 C ATOM 556 C ALA A 35 101.109 94.613 -36.964 1.00 0.00 C ATOM 557 O ALA A 35 101.257 94.675 -38.177 1.00 0.00 O ATOM 558 CB ALA A 35 101.487 92.514 -35.588 1.00 0.00 C ATOM 0 H ALA A 35 102.386 94.231 -34.040 1.00 0.00 H new ATOM 0 HA ALA A 35 102.965 93.592 -36.708 1.00 0.00 H new ATOM 0 HB1 ALA A 35 101.145 91.928 -36.441 1.00 0.00 H new ATOM 0 HB2 ALA A 35 102.236 91.947 -35.035 1.00 0.00 H new ATOM 0 HB3 ALA A 35 100.642 92.732 -34.935 1.00 0.00 H new ATOM 564 N GLU A 36 100.096 95.209 -36.301 1.00 0.00 N ATOM 565 CA GLU A 36 99.127 95.956 -37.088 1.00 0.00 C ATOM 566 C GLU A 36 99.778 97.139 -37.837 1.00 0.00 C ATOM 567 O GLU A 36 99.474 97.395 -38.995 1.00 0.00 O ATOM 568 CB GLU A 36 97.976 96.456 -36.206 1.00 0.00 C ATOM 569 CG GLU A 36 96.623 96.087 -36.806 1.00 0.00 C ATOM 570 CD GLU A 36 95.531 96.188 -35.740 1.00 0.00 C ATOM 571 OE1 GLU A 36 95.727 95.660 -34.646 1.00 0.00 O ATOM 572 OE2 GLU A 36 94.496 96.794 -36.014 1.00 0.00 O ATOM 0 H GLU A 36 99.942 95.187 -35.293 1.00 0.00 H new ATOM 0 HA GLU A 36 98.727 95.271 -37.835 1.00 0.00 H new ATOM 0 HB2 GLU A 36 98.065 96.025 -35.209 1.00 0.00 H new ATOM 0 HB3 GLU A 36 98.044 97.538 -36.093 1.00 0.00 H new ATOM 0 HG2 GLU A 36 96.392 96.752 -37.639 1.00 0.00 H new ATOM 0 HG3 GLU A 36 96.658 95.074 -37.207 1.00 0.00 H new ATOM 579 N VAL A 37 100.672 97.844 -37.116 1.00 0.00 N ATOM 580 CA VAL A 37 101.361 98.958 -37.748 1.00 0.00 C ATOM 581 C VAL A 37 102.180 98.514 -38.981 1.00 0.00 C ATOM 582 O VAL A 37 102.217 99.209 -39.989 1.00 0.00 O ATOM 583 CB VAL A 37 102.254 99.660 -36.724 1.00 0.00 C ATOM 584 CG1 VAL A 37 103.018 100.818 -37.369 1.00 0.00 C ATOM 585 CG2 VAL A 37 101.449 100.162 -35.520 1.00 0.00 C ATOM 0 H VAL A 37 100.918 97.666 -36.142 1.00 0.00 H new ATOM 0 HA VAL A 37 100.607 99.658 -38.109 1.00 0.00 H new ATOM 0 HB VAL A 37 102.972 98.923 -36.364 1.00 0.00 H new ATOM 0 HG11 VAL A 37 103.646 101.301 -36.621 1.00 0.00 H new ATOM 0 HG12 VAL A 37 103.644 100.436 -38.176 1.00 0.00 H new ATOM 0 HG13 VAL A 37 102.309 101.542 -37.771 1.00 0.00 H new ATOM 0 HG21 VAL A 37 102.118 100.655 -34.815 1.00 0.00 H new ATOM 0 HG22 VAL A 37 100.692 100.870 -35.858 1.00 0.00 H new ATOM 0 HG23 VAL A 37 100.963 99.318 -35.030 1.00 0.00 H new ATOM 595 N ARG A 38 102.849 97.349 -38.857 1.00 0.00 N ATOM 596 CA ARG A 38 103.342 96.700 -40.064 1.00 0.00 C ATOM 597 C ARG A 38 102.222 96.440 -41.099 1.00 0.00 C ATOM 598 O ARG A 38 102.384 96.686 -42.287 1.00 0.00 O ATOM 599 CB ARG A 38 104.021 95.388 -39.683 1.00 0.00 C ATOM 600 CG ARG A 38 105.257 95.617 -38.816 1.00 0.00 C ATOM 601 CD ARG A 38 106.436 94.749 -39.262 1.00 0.00 C ATOM 602 NE ARG A 38 107.564 94.936 -38.366 1.00 0.00 N ATOM 603 CZ ARG A 38 107.678 94.151 -37.277 1.00 0.00 C ATOM 604 NH1 ARG A 38 106.634 93.973 -36.472 1.00 0.00 N ATOM 605 NH2 ARG A 38 108.834 93.552 -37.008 1.00 0.00 N ATOM 0 H ARG A 38 103.047 96.868 -37.979 1.00 0.00 H new ATOM 0 HA ARG A 38 104.056 97.374 -40.538 1.00 0.00 H new ATOM 0 HB2 ARG A 38 103.314 94.756 -39.147 1.00 0.00 H new ATOM 0 HB3 ARG A 38 104.307 94.851 -40.588 1.00 0.00 H new ATOM 0 HG2 ARG A 38 105.542 96.668 -38.861 1.00 0.00 H new ATOM 0 HG3 ARG A 38 105.017 95.396 -37.776 1.00 0.00 H new ATOM 0 HD2 ARG A 38 106.141 93.700 -39.273 1.00 0.00 H new ATOM 0 HD3 ARG A 38 106.724 95.010 -40.280 1.00 0.00 H new ATOM 0 HE ARG A 38 108.262 95.654 -38.559 1.00 0.00 H new ATOM 0 HH11 ARG A 38 105.746 94.431 -36.679 1.00 0.00 H new ATOM 0 HH12 ARG A 38 106.721 93.379 -35.648 1.00 0.00 H new ATOM 0 HH21 ARG A 38 109.634 93.687 -37.626 1.00 0.00 H new ATOM 0 HH22 ARG A 38 108.921 92.958 -36.184 1.00 0.00 H new ATOM 619 N GLU A 39 101.088 95.925 -40.580 1.00 0.00 N ATOM 620 CA GLU A 39 100.102 95.317 -41.464 1.00 0.00 C ATOM 621 C GLU A 39 99.363 96.357 -42.325 1.00 0.00 C ATOM 622 O GLU A 39 99.115 96.145 -43.506 1.00 0.00 O ATOM 623 CB GLU A 39 99.083 94.541 -40.636 1.00 0.00 C ATOM 624 CG GLU A 39 99.724 93.352 -39.925 1.00 0.00 C ATOM 625 CD GLU A 39 99.244 92.017 -40.509 1.00 0.00 C ATOM 626 OE1 GLU A 39 98.080 91.674 -40.309 1.00 0.00 O ATOM 627 OE2 GLU A 39 100.042 91.340 -41.156 1.00 0.00 O ATOM 0 H GLU A 39 100.847 95.921 -39.589 1.00 0.00 H new ATOM 0 HA GLU A 39 100.640 94.650 -42.138 1.00 0.00 H new ATOM 0 HB2 GLU A 39 98.630 95.205 -39.900 1.00 0.00 H new ATOM 0 HB3 GLU A 39 98.280 94.189 -41.283 1.00 0.00 H new ATOM 0 HG2 GLU A 39 100.809 93.418 -40.011 1.00 0.00 H new ATOM 0 HG3 GLU A 39 99.485 93.391 -38.862 1.00 0.00 H new ATOM 719 N ASN A 46 108.042 98.661 -44.419 1.00 0.00 N ATOM 720 CA ASN A 46 108.273 97.678 -43.363 1.00 0.00 C ATOM 721 C ASN A 46 109.530 97.983 -42.520 1.00 0.00 C ATOM 722 O ASN A 46 109.488 97.980 -41.296 1.00 0.00 O ATOM 723 CB ASN A 46 108.369 96.273 -43.954 1.00 0.00 C ATOM 724 CG ASN A 46 109.481 96.179 -45.011 1.00 0.00 C ATOM 725 OD1 ASN A 46 109.312 96.578 -46.157 1.00 0.00 O ATOM 726 ND2 ASN A 46 110.621 95.629 -44.550 1.00 0.00 N ATOM 0 HA ASN A 46 107.417 97.737 -42.691 1.00 0.00 H new ATOM 0 HB2 ASN A 46 108.562 95.555 -43.157 1.00 0.00 H new ATOM 0 HB3 ASN A 46 107.414 96.001 -44.404 1.00 0.00 H new ATOM 0 HD21 ASN A 46 111.423 95.521 -45.171 1.00 0.00 H new ATOM 0 HD22 ASN A 46 110.683 95.321 -43.580 1.00 0.00 H new ATOM 733 N ALA A 47 110.637 98.243 -43.241 1.00 0.00 N ATOM 734 CA ALA A 47 111.868 98.521 -42.519 1.00 0.00 C ATOM 735 C ALA A 47 111.755 99.796 -41.661 1.00 0.00 C ATOM 736 O ALA A 47 112.137 99.809 -40.496 1.00 0.00 O ATOM 737 CB ALA A 47 113.021 98.666 -43.514 1.00 0.00 C ATOM 0 H ALA A 47 110.697 98.264 -44.259 1.00 0.00 H new ATOM 0 HA ALA A 47 112.058 97.686 -41.845 1.00 0.00 H new ATOM 0 HB1 ALA A 47 113.944 98.874 -42.973 1.00 0.00 H new ATOM 0 HB2 ALA A 47 113.132 97.741 -44.079 1.00 0.00 H new ATOM 0 HB3 ALA A 47 112.809 99.486 -44.200 1.00 0.00 H new ATOM 743 N VAL A 48 111.205 100.859 -42.285 1.00 0.00 N ATOM 744 CA VAL A 48 111.077 102.081 -41.501 1.00 0.00 C ATOM 745 C VAL A 48 110.128 101.894 -40.300 1.00 0.00 C ATOM 746 O VAL A 48 110.361 102.437 -39.231 1.00 0.00 O ATOM 747 CB VAL A 48 110.652 103.275 -42.369 1.00 0.00 C ATOM 748 CG1 VAL A 48 111.536 103.399 -43.607 1.00 0.00 C ATOM 749 CG2 VAL A 48 109.179 103.237 -42.775 1.00 0.00 C ATOM 0 H VAL A 48 110.871 100.893 -43.248 1.00 0.00 H new ATOM 0 HA VAL A 48 112.066 102.305 -41.102 1.00 0.00 H new ATOM 0 HB VAL A 48 110.784 104.157 -41.743 1.00 0.00 H new ATOM 0 HG11 VAL A 48 111.211 104.253 -44.202 1.00 0.00 H new ATOM 0 HG12 VAL A 48 112.572 103.543 -43.301 1.00 0.00 H new ATOM 0 HG13 VAL A 48 111.457 102.490 -44.203 1.00 0.00 H new ATOM 0 HG21 VAL A 48 108.947 104.109 -43.386 1.00 0.00 H new ATOM 0 HG22 VAL A 48 108.983 102.330 -43.347 1.00 0.00 H new ATOM 0 HG23 VAL A 48 108.555 103.244 -41.881 1.00 0.00 H new ATOM 759 N VAL A 49 109.064 101.104 -40.537 1.00 0.00 N ATOM 760 CA VAL A 49 107.991 100.970 -39.564 1.00 0.00 C ATOM 761 C VAL A 49 108.483 100.350 -38.241 1.00 0.00 C ATOM 762 O VAL A 49 108.108 100.785 -37.160 1.00 0.00 O ATOM 763 CB VAL A 49 106.861 100.137 -40.180 1.00 0.00 C ATOM 764 CG1 VAL A 49 105.772 99.828 -39.154 1.00 0.00 C ATOM 765 CG2 VAL A 49 106.274 100.854 -41.392 1.00 0.00 C ATOM 0 H VAL A 49 108.935 100.558 -41.389 1.00 0.00 H new ATOM 0 HA VAL A 49 107.619 101.964 -39.316 1.00 0.00 H new ATOM 0 HB VAL A 49 107.283 99.187 -40.507 1.00 0.00 H new ATOM 0 HG11 VAL A 49 104.987 99.236 -39.624 1.00 0.00 H new ATOM 0 HG12 VAL A 49 106.202 99.267 -38.325 1.00 0.00 H new ATOM 0 HG13 VAL A 49 105.349 100.761 -38.780 1.00 0.00 H new ATOM 0 HG21 VAL A 49 105.473 100.251 -41.819 1.00 0.00 H new ATOM 0 HG22 VAL A 49 105.876 101.821 -41.085 1.00 0.00 H new ATOM 0 HG23 VAL A 49 107.053 101.003 -42.139 1.00 0.00 H new ATOM 775 N ASN A 50 109.337 99.316 -38.391 1.00 0.00 N ATOM 776 CA ASN A 50 110.060 98.810 -37.230 1.00 0.00 C ATOM 777 C ASN A 50 110.827 99.931 -36.499 1.00 0.00 C ATOM 778 O ASN A 50 110.766 100.051 -35.281 1.00 0.00 O ATOM 779 CB ASN A 50 111.047 97.727 -37.680 1.00 0.00 C ATOM 780 CG ASN A 50 111.148 96.634 -36.612 1.00 0.00 C ATOM 781 OD1 ASN A 50 110.766 96.816 -35.463 1.00 0.00 O ATOM 782 ND2 ASN A 50 111.688 95.494 -37.077 1.00 0.00 N ATOM 0 H ASN A 50 109.531 98.838 -39.271 1.00 0.00 H new ATOM 0 HA ASN A 50 109.331 98.395 -36.534 1.00 0.00 H new ATOM 0 HB2 ASN A 50 110.719 97.294 -38.625 1.00 0.00 H new ATOM 0 HB3 ASN A 50 112.028 98.168 -37.855 1.00 0.00 H new ATOM 0 HD21 ASN A 50 111.806 94.694 -36.455 1.00 0.00 H new ATOM 0 HD22 ASN A 50 111.980 95.429 -38.052 1.00 0.00 H new ATOM 789 N SER A 51 111.544 100.736 -37.309 1.00 0.00 N ATOM 790 CA SER A 51 112.290 101.823 -36.691 1.00 0.00 C ATOM 791 C SER A 51 111.370 102.846 -35.988 1.00 0.00 C ATOM 792 O SER A 51 111.662 103.299 -34.889 1.00 0.00 O ATOM 793 CB SER A 51 113.142 102.526 -37.758 1.00 0.00 C ATOM 794 OG SER A 51 113.574 103.837 -37.415 1.00 0.00 O ATOM 0 H SER A 51 111.616 100.657 -38.323 1.00 0.00 H new ATOM 0 HA SER A 51 112.930 101.391 -35.922 1.00 0.00 H new ATOM 0 HB2 SER A 51 114.019 101.913 -37.963 1.00 0.00 H new ATOM 0 HB3 SER A 51 112.568 102.579 -38.683 1.00 0.00 H new ATOM 0 HG SER A 51 114.109 104.207 -38.148 1.00 0.00 H new ATOM 800 N ASN A 52 110.264 103.191 -36.678 1.00 0.00 N ATOM 801 CA ASN A 52 109.431 104.314 -36.275 1.00 0.00 C ATOM 802 C ASN A 52 108.678 104.079 -34.947 1.00 0.00 C ATOM 803 O ASN A 52 108.501 104.982 -34.140 1.00 0.00 O ATOM 804 CB ASN A 52 108.401 104.554 -37.375 1.00 0.00 C ATOM 805 CG ASN A 52 109.081 104.940 -38.698 1.00 0.00 C ATOM 806 OD1 ASN A 52 108.534 104.340 -39.770 1.00 0.00 O flip ATOM 807 ND2 ASN A 52 110.031 105.713 -38.734 1.00 0.00 N flip ATOM 0 H ASN A 52 109.938 102.703 -37.512 1.00 0.00 H new ATOM 0 HA ASN A 52 110.089 105.169 -36.121 1.00 0.00 H new ATOM 0 HB2 ASN A 52 107.803 103.654 -37.519 1.00 0.00 H new ATOM 0 HB3 ASN A 52 107.717 105.346 -37.070 1.00 0.00 H new ATOM 0 HD21 ASN A 52 110.386 106.126 -37.871 1.00 0.00 H new ATOM 0 HD22 ASN A 52 110.467 105.944 -39.627 1.00 0.00 H new ATOM 814 N ILE A 53 108.207 102.833 -34.790 1.00 0.00 N ATOM 815 CA ILE A 53 107.586 102.465 -33.533 1.00 0.00 C ATOM 816 C ILE A 53 108.616 102.430 -32.388 1.00 0.00 C ATOM 817 O ILE A 53 108.404 102.987 -31.318 1.00 0.00 O ATOM 818 CB ILE A 53 106.947 101.086 -33.694 1.00 0.00 C ATOM 819 CG1 ILE A 53 105.936 101.043 -34.845 1.00 0.00 C ATOM 820 CG2 ILE A 53 106.264 100.628 -32.410 1.00 0.00 C ATOM 821 CD1 ILE A 53 105.660 99.607 -35.279 1.00 0.00 C ATOM 0 H ILE A 53 108.246 102.096 -35.494 1.00 0.00 H new ATOM 0 HA ILE A 53 106.832 103.210 -33.278 1.00 0.00 H new ATOM 0 HB ILE A 53 107.765 100.405 -33.927 1.00 0.00 H new ATOM 0 HG12 ILE A 53 105.005 101.518 -34.534 1.00 0.00 H new ATOM 0 HG13 ILE A 53 106.318 101.615 -35.691 1.00 0.00 H new ATOM 0 HG21 ILE A 53 105.822 99.644 -32.564 1.00 0.00 H new ATOM 0 HG22 ILE A 53 106.999 100.574 -31.607 1.00 0.00 H new ATOM 0 HG23 ILE A 53 105.483 101.339 -32.140 1.00 0.00 H new ATOM 0 HD11 ILE A 53 104.939 99.606 -36.097 1.00 0.00 H new ATOM 0 HD12 ILE A 53 106.588 99.143 -35.613 1.00 0.00 H new ATOM 0 HD13 ILE A 53 105.255 99.044 -34.438 1.00 0.00 H new ATOM 833 N GLY A 54 109.733 101.735 -32.674 1.00 0.00 N ATOM 834 CA GLY A 54 110.787 101.652 -31.679 1.00 0.00 C ATOM 835 C GLY A 54 111.341 103.022 -31.260 1.00 0.00 C ATOM 836 O GLY A 54 111.603 103.268 -30.092 1.00 0.00 O ATOM 0 H GLY A 54 109.914 101.246 -33.551 1.00 0.00 H new ATOM 0 HA2 GLY A 54 110.404 101.138 -30.797 1.00 0.00 H new ATOM 0 HA3 GLY A 54 111.601 101.044 -32.073 1.00 0.00 H new ATOM 840 N VAL A 55 111.526 103.884 -32.271 1.00 0.00 N ATOM 841 CA VAL A 55 112.135 105.173 -31.989 1.00 0.00 C ATOM 842 C VAL A 55 111.221 106.086 -31.135 1.00 0.00 C ATOM 843 O VAL A 55 111.694 106.836 -30.288 1.00 0.00 O ATOM 844 CB VAL A 55 112.533 105.837 -33.307 1.00 0.00 C ATOM 845 CG1 VAL A 55 111.309 106.354 -34.037 1.00 0.00 C ATOM 846 CG2 VAL A 55 113.562 106.943 -33.092 1.00 0.00 C ATOM 0 H VAL A 55 111.273 103.716 -33.245 1.00 0.00 H new ATOM 0 HA VAL A 55 113.029 105.010 -31.387 1.00 0.00 H new ATOM 0 HB VAL A 55 113.005 105.080 -33.933 1.00 0.00 H new ATOM 0 HG11 VAL A 55 111.614 106.823 -34.972 1.00 0.00 H new ATOM 0 HG12 VAL A 55 110.635 105.524 -34.250 1.00 0.00 H new ATOM 0 HG13 VAL A 55 110.796 107.087 -33.414 1.00 0.00 H new ATOM 0 HG21 VAL A 55 113.820 107.391 -34.051 1.00 0.00 H new ATOM 0 HG22 VAL A 55 113.144 107.706 -32.436 1.00 0.00 H new ATOM 0 HG23 VAL A 55 114.458 106.523 -32.635 1.00 0.00 H new ATOM 856 N LEU A 56 109.897 105.990 -31.395 1.00 0.00 N ATOM 857 CA LEU A 56 108.939 106.494 -30.416 1.00 0.00 C ATOM 858 C LEU A 56 109.171 105.860 -29.025 1.00 0.00 C ATOM 859 O LEU A 56 109.242 106.544 -28.014 1.00 0.00 O ATOM 860 CB LEU A 56 107.541 106.099 -30.908 1.00 0.00 C ATOM 861 CG LEU A 56 106.941 107.044 -31.954 1.00 0.00 C ATOM 862 CD1 LEU A 56 107.987 107.783 -32.790 1.00 0.00 C ATOM 863 CD2 LEU A 56 106.026 106.260 -32.887 1.00 0.00 C ATOM 0 H LEU A 56 109.492 105.585 -32.239 1.00 0.00 H new ATOM 0 HA LEU A 56 109.051 107.574 -30.318 1.00 0.00 H new ATOM 0 HB2 LEU A 56 107.589 105.095 -31.330 1.00 0.00 H new ATOM 0 HB3 LEU A 56 106.869 106.053 -30.051 1.00 0.00 H new ATOM 0 HG LEU A 56 106.387 107.800 -31.398 1.00 0.00 H new ATOM 0 HD11 LEU A 56 107.486 108.433 -33.508 1.00 0.00 H new ATOM 0 HD12 LEU A 56 108.618 108.384 -32.135 1.00 0.00 H new ATOM 0 HD13 LEU A 56 108.604 107.060 -33.324 1.00 0.00 H new ATOM 0 HD21 LEU A 56 105.600 106.934 -33.630 1.00 0.00 H new ATOM 0 HD22 LEU A 56 106.600 105.481 -33.390 1.00 0.00 H new ATOM 0 HD23 LEU A 56 105.223 105.803 -32.309 1.00 0.00 H new ATOM 875 N ILE A 57 109.315 104.522 -29.038 1.00 0.00 N ATOM 876 CA ILE A 57 109.407 103.825 -27.763 1.00 0.00 C ATOM 877 C ILE A 57 110.649 104.258 -26.951 1.00 0.00 C ATOM 878 O ILE A 57 110.583 104.458 -25.744 1.00 0.00 O ATOM 879 CB ILE A 57 109.438 102.316 -28.011 1.00 0.00 C ATOM 880 CG1 ILE A 57 108.191 101.860 -28.785 1.00 0.00 C ATOM 881 CG2 ILE A 57 109.657 101.544 -26.704 1.00 0.00 C ATOM 882 CD1 ILE A 57 107.217 100.994 -27.987 1.00 0.00 C ATOM 0 H ILE A 57 109.367 103.937 -29.872 1.00 0.00 H new ATOM 0 HA ILE A 57 108.530 104.088 -27.172 1.00 0.00 H new ATOM 0 HB ILE A 57 110.294 102.084 -28.645 1.00 0.00 H new ATOM 0 HG12 ILE A 57 107.660 102.743 -29.142 1.00 0.00 H new ATOM 0 HG13 ILE A 57 108.512 101.303 -29.665 1.00 0.00 H new ATOM 0 HG21 ILE A 57 109.674 100.474 -26.912 1.00 0.00 H new ATOM 0 HG22 ILE A 57 110.606 101.843 -26.260 1.00 0.00 H new ATOM 0 HG23 ILE A 57 108.846 101.766 -26.010 1.00 0.00 H new ATOM 0 HD11 ILE A 57 106.370 100.723 -28.618 1.00 0.00 H new ATOM 0 HD12 ILE A 57 107.725 100.089 -27.652 1.00 0.00 H new ATOM 0 HD13 ILE A 57 106.860 101.551 -27.121 1.00 0.00 H new ATOM 894 N LYS A 58 111.773 104.388 -27.685 1.00 0.00 N ATOM 895 CA LYS A 58 113.050 104.650 -27.039 1.00 0.00 C ATOM 896 C LYS A 58 113.140 106.088 -26.464 1.00 0.00 C ATOM 897 O LYS A 58 113.910 106.355 -25.549 1.00 0.00 O ATOM 898 CB LYS A 58 114.171 104.373 -28.046 1.00 0.00 C ATOM 899 CG LYS A 58 114.401 105.529 -29.016 1.00 0.00 C ATOM 900 CD LYS A 58 115.552 106.430 -28.571 1.00 0.00 C ATOM 901 CE LYS A 58 116.061 107.314 -29.709 1.00 0.00 C ATOM 902 NZ LYS A 58 115.447 108.636 -29.703 1.00 0.00 N ATOM 0 H LYS A 58 111.812 104.316 -28.702 1.00 0.00 H new ATOM 0 HA LYS A 58 113.153 103.985 -26.181 1.00 0.00 H new ATOM 0 HB2 LYS A 58 115.096 104.170 -27.505 1.00 0.00 H new ATOM 0 HB3 LYS A 58 113.929 103.474 -28.612 1.00 0.00 H new ATOM 0 HG2 LYS A 58 114.614 105.132 -30.009 1.00 0.00 H new ATOM 0 HG3 LYS A 58 113.489 106.120 -29.098 1.00 0.00 H new ATOM 0 HD2 LYS A 58 115.221 107.058 -27.744 1.00 0.00 H new ATOM 0 HD3 LYS A 58 116.370 105.815 -28.196 1.00 0.00 H new ATOM 0 HE2 LYS A 58 117.143 107.419 -29.628 1.00 0.00 H new ATOM 0 HE3 LYS A 58 115.858 106.827 -30.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 116.071 109.311 -30.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 114.531 108.596 -30.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 115.300 108.946 -28.721 1.00 0.00 H new ATOM 916 N LYS A 59 112.315 106.980 -27.049 1.00 0.00 N ATOM 917 CA LYS A 59 112.041 108.256 -26.418 1.00 0.00 C ATOM 918 C LYS A 59 111.102 108.084 -25.208 1.00 0.00 C ATOM 919 O LYS A 59 111.376 108.567 -24.116 1.00 0.00 O ATOM 920 CB LYS A 59 111.377 109.147 -27.466 1.00 0.00 C ATOM 921 CG LYS A 59 112.303 109.438 -28.646 1.00 0.00 C ATOM 922 CD LYS A 59 111.557 110.121 -29.788 1.00 0.00 C ATOM 923 CE LYS A 59 112.395 111.238 -30.409 1.00 0.00 C ATOM 924 NZ LYS A 59 112.326 112.478 -29.646 1.00 0.00 N ATOM 0 H LYS A 59 111.842 106.831 -27.940 1.00 0.00 H new ATOM 0 HA LYS A 59 112.968 108.699 -26.053 1.00 0.00 H new ATOM 0 HB2 LYS A 59 110.470 108.664 -27.829 1.00 0.00 H new ATOM 0 HB3 LYS A 59 111.075 110.086 -27.003 1.00 0.00 H new ATOM 0 HG2 LYS A 59 113.125 110.073 -28.316 1.00 0.00 H new ATOM 0 HG3 LYS A 59 112.743 108.507 -29.003 1.00 0.00 H new ATOM 0 HD2 LYS A 59 111.305 109.385 -30.552 1.00 0.00 H new ATOM 0 HD3 LYS A 59 110.618 110.531 -29.418 1.00 0.00 H new ATOM 0 HE2 LYS A 59 113.434 110.914 -30.476 1.00 0.00 H new ATOM 0 HE3 LYS A 59 112.052 111.422 -31.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 112.911 113.203 -30.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 111.340 112.805 -29.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 112.678 112.312 -28.682 1.00 0.00 H new ATOM 938 N GLY A 60 109.988 107.371 -25.471 1.00 0.00 N ATOM 939 CA GLY A 60 108.688 107.953 -25.252 1.00 0.00 C ATOM 940 C GLY A 60 108.428 108.998 -26.332 1.00 0.00 C ATOM 941 O GLY A 60 108.900 110.126 -26.264 1.00 0.00 O ATOM 0 H GLY A 60 109.980 106.415 -25.827 1.00 0.00 H new ATOM 0 HA2 GLY A 60 107.919 107.181 -25.281 1.00 0.00 H new ATOM 0 HA3 GLY A 60 108.642 108.412 -24.264 1.00 0.00 H new ATOM 945 N LEU A 61 107.654 108.533 -27.328 1.00 0.00 N ATOM 946 CA LEU A 61 106.260 108.256 -27.088 1.00 0.00 C ATOM 947 C LEU A 61 105.804 107.280 -28.165 1.00 0.00 C ATOM 948 O LEU A 61 105.459 107.649 -29.280 1.00 0.00 O ATOM 949 CB LEU A 61 105.493 109.565 -27.283 1.00 0.00 C ATOM 950 CG LEU A 61 105.924 110.409 -28.499 1.00 0.00 C ATOM 951 CD1 LEU A 61 104.811 111.366 -28.883 1.00 0.00 C ATOM 952 CD2 LEU A 61 107.208 111.197 -28.254 1.00 0.00 C ATOM 0 H LEU A 61 107.976 108.350 -28.279 1.00 0.00 H new ATOM 0 HA LEU A 61 106.094 107.850 -26.090 1.00 0.00 H new ATOM 0 HB2 LEU A 61 104.432 109.334 -27.380 1.00 0.00 H new ATOM 0 HB3 LEU A 61 105.606 110.170 -26.384 1.00 0.00 H new ATOM 0 HG LEU A 61 106.124 109.710 -29.311 1.00 0.00 H new ATOM 0 HD11 LEU A 61 105.122 111.959 -29.743 1.00 0.00 H new ATOM 0 HD12 LEU A 61 103.916 110.799 -29.138 1.00 0.00 H new ATOM 0 HD13 LEU A 61 104.595 112.028 -28.044 1.00 0.00 H new ATOM 0 HD21 LEU A 61 107.459 111.771 -29.146 1.00 0.00 H new ATOM 0 HD22 LEU A 61 107.063 111.877 -27.414 1.00 0.00 H new ATOM 0 HD23 LEU A 61 108.020 110.507 -28.026 1.00 0.00 H new ATOM 964 N VAL A 62 105.799 106.007 -27.756 1.00 0.00 N ATOM 965 CA VAL A 62 104.637 105.204 -27.467 1.00 0.00 C ATOM 966 C VAL A 62 105.010 104.222 -26.345 1.00 0.00 C ATOM 967 O VAL A 62 106.160 103.821 -26.220 1.00 0.00 O ATOM 968 CB VAL A 62 104.220 104.487 -28.745 1.00 0.00 C ATOM 969 CG1 VAL A 62 105.290 103.511 -29.221 1.00 0.00 C ATOM 970 CG2 VAL A 62 102.880 103.787 -28.569 1.00 0.00 C ATOM 0 H VAL A 62 106.667 105.491 -27.613 1.00 0.00 H new ATOM 0 HA VAL A 62 103.793 105.806 -27.130 1.00 0.00 H new ATOM 0 HB VAL A 62 104.105 105.246 -29.519 1.00 0.00 H new ATOM 0 HG11 VAL A 62 104.954 103.020 -30.135 1.00 0.00 H new ATOM 0 HG12 VAL A 62 106.215 104.053 -29.419 1.00 0.00 H new ATOM 0 HG13 VAL A 62 105.467 102.761 -28.450 1.00 0.00 H new ATOM 0 HG21 VAL A 62 102.608 103.284 -29.497 1.00 0.00 H new ATOM 0 HG22 VAL A 62 102.956 103.053 -27.767 1.00 0.00 H new ATOM 0 HG23 VAL A 62 102.116 104.522 -28.317 1.00 0.00 H new ATOM 980 N GLU A 63 103.993 103.856 -25.544 1.00 0.00 N ATOM 981 CA GLU A 63 104.215 102.820 -24.540 1.00 0.00 C ATOM 982 C GLU A 63 103.569 101.500 -24.994 1.00 0.00 C ATOM 983 O GLU A 63 102.371 101.410 -25.229 1.00 0.00 O ATOM 984 CB GLU A 63 103.618 103.246 -23.201 1.00 0.00 C ATOM 985 CG GLU A 63 104.590 104.104 -22.389 1.00 0.00 C ATOM 986 CD GLU A 63 103.966 104.460 -21.039 1.00 0.00 C ATOM 987 OE1 GLU A 63 103.647 103.546 -20.280 1.00 0.00 O ATOM 988 OE2 GLU A 63 103.807 105.648 -20.759 1.00 0.00 O ATOM 0 H GLU A 63 103.051 104.247 -25.573 1.00 0.00 H new ATOM 0 HA GLU A 63 105.289 102.674 -24.422 1.00 0.00 H new ATOM 0 HB2 GLU A 63 102.699 103.805 -23.375 1.00 0.00 H new ATOM 0 HB3 GLU A 63 103.348 102.360 -22.626 1.00 0.00 H new ATOM 0 HG2 GLU A 63 105.525 103.565 -22.237 1.00 0.00 H new ATOM 0 HG3 GLU A 63 104.833 105.013 -22.939 1.00 0.00 H new ATOM 995 N LYS A 64 104.439 100.481 -25.084 1.00 0.00 N ATOM 996 CA LYS A 64 103.969 99.172 -25.473 1.00 0.00 C ATOM 997 C LYS A 64 103.352 98.459 -24.264 1.00 0.00 C ATOM 998 O LYS A 64 104.013 98.146 -23.282 1.00 0.00 O ATOM 999 CB LYS A 64 105.135 98.375 -26.042 1.00 0.00 C ATOM 1000 CG LYS A 64 104.723 96.943 -26.366 1.00 0.00 C ATOM 1001 CD LYS A 64 105.149 95.945 -25.286 1.00 0.00 C ATOM 1002 CE LYS A 64 105.868 94.734 -25.881 1.00 0.00 C ATOM 1003 NZ LYS A 64 105.616 93.511 -25.126 1.00 0.00 N ATOM 0 H LYS A 64 105.439 100.548 -24.896 1.00 0.00 H new ATOM 0 HA LYS A 64 103.198 99.264 -26.238 1.00 0.00 H new ATOM 0 HB2 LYS A 64 105.505 98.862 -26.944 1.00 0.00 H new ATOM 0 HB3 LYS A 64 105.956 98.366 -25.325 1.00 0.00 H new ATOM 0 HG2 LYS A 64 103.641 96.900 -26.488 1.00 0.00 H new ATOM 0 HG3 LYS A 64 105.163 96.650 -27.319 1.00 0.00 H new ATOM 0 HD2 LYS A 64 105.805 96.442 -24.571 1.00 0.00 H new ATOM 0 HD3 LYS A 64 104.271 95.611 -24.734 1.00 0.00 H new ATOM 0 HE2 LYS A 64 105.545 94.594 -26.913 1.00 0.00 H new ATOM 0 HE3 LYS A 64 106.940 94.928 -25.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 106.125 92.719 -25.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 105.948 93.632 -24.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 104.596 93.309 -25.123 1.00 0.00 H new ATOM 1017 N SER A 65 102.035 98.234 -24.425 1.00 0.00 N ATOM 1018 CA SER A 65 101.246 97.594 -23.382 1.00 0.00 C ATOM 1019 C SER A 65 100.740 96.246 -23.906 1.00 0.00 C ATOM 1020 O SER A 65 99.843 96.184 -24.738 1.00 0.00 O ATOM 1021 CB SER A 65 100.046 98.481 -23.027 1.00 0.00 C ATOM 1022 OG SER A 65 99.614 98.095 -21.708 1.00 0.00 O ATOM 0 H SER A 65 101.509 98.486 -25.261 1.00 0.00 H new ATOM 0 HA SER A 65 101.859 97.446 -22.493 1.00 0.00 H new ATOM 0 HB2 SER A 65 100.325 99.534 -23.049 1.00 0.00 H new ATOM 0 HB3 SER A 65 99.241 98.349 -23.750 1.00 0.00 H new ATOM 0 HG SER A 65 98.846 98.642 -21.442 1.00 0.00 H new ATOM 1028 N GLY A 66 101.363 95.176 -23.375 1.00 0.00 N ATOM 1029 CA GLY A 66 101.678 94.059 -24.249 1.00 0.00 C ATOM 1030 C GLY A 66 100.542 93.037 -24.244 1.00 0.00 C ATOM 1031 O GLY A 66 100.432 92.200 -23.356 1.00 0.00 O ATOM 0 H GLY A 66 101.640 95.073 -22.399 1.00 0.00 H new ATOM 0 HA2 GLY A 66 101.846 94.420 -25.264 1.00 0.00 H new ATOM 0 HA3 GLY A 66 102.603 93.584 -23.923 1.00 0.00 H new ATOM 1035 N ASP A 67 99.709 93.163 -25.292 1.00 0.00 N ATOM 1036 CA ASP A 67 100.159 92.862 -26.645 1.00 0.00 C ATOM 1037 C ASP A 67 100.596 94.126 -27.416 1.00 0.00 C ATOM 1038 O ASP A 67 101.598 94.118 -28.120 1.00 0.00 O ATOM 1039 CB ASP A 67 99.045 92.140 -27.409 1.00 0.00 C ATOM 1040 CG ASP A 67 97.800 93.024 -27.524 1.00 0.00 C ATOM 1041 OD1 ASP A 67 97.719 93.806 -28.470 1.00 0.00 O ATOM 1042 OD2 ASP A 67 96.924 92.918 -26.666 1.00 0.00 O ATOM 0 H ASP A 67 98.738 93.467 -25.222 1.00 0.00 H new ATOM 0 HA ASP A 67 101.035 92.218 -26.564 1.00 0.00 H new ATOM 0 HB2 ASP A 67 99.397 91.870 -28.404 1.00 0.00 H new ATOM 0 HB3 ASP A 67 98.791 91.211 -26.898 1.00 0.00 H new ATOM 1047 N GLY A 68 99.799 95.203 -27.246 1.00 0.00 N ATOM 1048 CA GLY A 68 99.674 96.208 -28.280 1.00 0.00 C ATOM 1049 C GLY A 68 100.299 97.514 -27.808 1.00 0.00 C ATOM 1050 O GLY A 68 100.574 97.715 -26.631 1.00 0.00 O ATOM 0 H GLY A 68 99.246 95.382 -26.408 1.00 0.00 H new ATOM 0 HA2 GLY A 68 100.165 95.868 -29.192 1.00 0.00 H new ATOM 0 HA3 GLY A 68 98.623 96.364 -28.523 1.00 0.00 H new ATOM 1054 N LEU A 69 100.501 98.385 -28.811 1.00 0.00 N ATOM 1055 CA LEU A 69 101.227 99.612 -28.559 1.00 0.00 C ATOM 1056 C LEU A 69 100.194 100.701 -28.289 1.00 0.00 C ATOM 1057 O LEU A 69 99.162 100.769 -28.945 1.00 0.00 O ATOM 1058 CB LEU A 69 102.112 99.927 -29.771 1.00 0.00 C ATOM 1059 CG LEU A 69 103.041 98.760 -30.139 1.00 0.00 C ATOM 1060 CD1 LEU A 69 104.279 99.277 -30.857 1.00 0.00 C ATOM 1061 CD2 LEU A 69 103.474 97.914 -28.939 1.00 0.00 C ATOM 0 H LEU A 69 100.178 98.257 -29.770 1.00 0.00 H new ATOM 0 HA LEU A 69 101.887 99.533 -27.695 1.00 0.00 H new ATOM 0 HB2 LEU A 69 101.480 100.168 -30.626 1.00 0.00 H new ATOM 0 HB3 LEU A 69 102.712 100.812 -29.559 1.00 0.00 H new ATOM 0 HG LEU A 69 102.458 98.112 -30.793 1.00 0.00 H new ATOM 0 HD11 LEU A 69 104.928 98.439 -31.112 1.00 0.00 H new ATOM 0 HD12 LEU A 69 103.981 99.795 -31.768 1.00 0.00 H new ATOM 0 HD13 LEU A 69 104.816 99.967 -30.206 1.00 0.00 H new ATOM 0 HD21 LEU A 69 104.128 97.110 -29.277 1.00 0.00 H new ATOM 0 HD22 LEU A 69 104.009 98.541 -28.226 1.00 0.00 H new ATOM 0 HD23 LEU A 69 102.594 97.487 -28.458 1.00 0.00 H new ATOM 1073 N ILE A 70 100.508 101.526 -27.273 1.00 0.00 N ATOM 1074 CA ILE A 70 99.606 102.630 -27.011 1.00 0.00 C ATOM 1075 C ILE A 70 100.362 103.761 -26.335 1.00 0.00 C ATOM 1076 O ILE A 70 101.313 103.557 -25.595 1.00 0.00 O ATOM 1077 CB ILE A 70 98.482 102.194 -26.080 1.00 0.00 C ATOM 1078 CG1 ILE A 70 99.018 101.571 -24.796 1.00 0.00 C ATOM 1079 CG2 ILE A 70 97.545 101.226 -26.782 1.00 0.00 C ATOM 1080 CD1 ILE A 70 97.974 101.660 -23.683 1.00 0.00 C ATOM 0 H ILE A 70 101.324 101.450 -26.665 1.00 0.00 H new ATOM 0 HA ILE A 70 99.190 102.960 -27.963 1.00 0.00 H new ATOM 0 HB ILE A 70 97.924 103.090 -25.807 1.00 0.00 H new ATOM 0 HG12 ILE A 70 99.282 100.528 -24.973 1.00 0.00 H new ATOM 0 HG13 ILE A 70 99.930 102.083 -24.489 1.00 0.00 H new ATOM 0 HG21 ILE A 70 96.750 100.928 -26.098 1.00 0.00 H new ATOM 0 HG22 ILE A 70 97.109 101.711 -27.656 1.00 0.00 H new ATOM 0 HG23 ILE A 70 98.102 100.344 -27.097 1.00 0.00 H new ATOM 0 HD11 ILE A 70 98.373 101.211 -22.773 1.00 0.00 H new ATOM 0 HD12 ILE A 70 97.731 102.706 -23.495 1.00 0.00 H new ATOM 0 HD13 ILE A 70 97.073 101.127 -23.986 1.00 0.00 H new ATOM 1092 N ILE A 71 99.871 104.971 -26.626 1.00 0.00 N ATOM 1093 CA ILE A 71 100.776 106.095 -26.537 1.00 0.00 C ATOM 1094 C ILE A 71 100.684 106.726 -25.151 1.00 0.00 C ATOM 1095 O ILE A 71 99.719 106.560 -24.415 1.00 0.00 O ATOM 1096 CB ILE A 71 100.435 107.095 -27.632 1.00 0.00 C ATOM 1097 CG1 ILE A 71 99.007 107.622 -27.444 1.00 0.00 C ATOM 1098 CG2 ILE A 71 100.669 106.446 -29.000 1.00 0.00 C ATOM 1099 CD1 ILE A 71 98.605 108.699 -28.452 1.00 0.00 C ATOM 0 H ILE A 71 98.913 105.180 -26.907 1.00 0.00 H new ATOM 0 HA ILE A 71 101.804 105.764 -26.681 1.00 0.00 H new ATOM 0 HB ILE A 71 101.089 107.965 -27.572 1.00 0.00 H new ATOM 0 HG12 ILE A 71 98.310 106.788 -27.521 1.00 0.00 H new ATOM 0 HG13 ILE A 71 98.910 108.027 -26.437 1.00 0.00 H new ATOM 0 HG21 ILE A 71 100.426 107.159 -29.787 1.00 0.00 H new ATOM 0 HG22 ILE A 71 101.714 106.150 -29.088 1.00 0.00 H new ATOM 0 HG23 ILE A 71 100.033 105.566 -29.099 1.00 0.00 H new ATOM 0 HD11 ILE A 71 97.583 109.020 -28.253 1.00 0.00 H new ATOM 0 HD12 ILE A 71 99.277 109.552 -28.361 1.00 0.00 H new ATOM 0 HD13 ILE A 71 98.668 108.294 -29.462 1.00 0.00 H new ATOM 1111 N THR A 72 101.769 107.460 -24.866 1.00 0.00 N ATOM 1112 CA THR A 72 101.861 108.144 -23.595 1.00 0.00 C ATOM 1113 C THR A 72 100.995 109.407 -23.648 1.00 0.00 C ATOM 1114 O THR A 72 100.409 109.752 -24.667 1.00 0.00 O ATOM 1115 CB THR A 72 103.317 108.561 -23.352 1.00 0.00 C ATOM 1116 OG1 THR A 72 103.657 109.675 -24.148 1.00 0.00 O ATOM 1117 CG2 THR A 72 104.347 107.443 -23.569 1.00 0.00 C ATOM 0 H THR A 72 102.568 107.586 -25.487 1.00 0.00 H new ATOM 0 HA THR A 72 101.522 107.485 -22.796 1.00 0.00 H new ATOM 0 HB THR A 72 103.363 108.819 -22.294 1.00 0.00 H new ATOM 0 HG1 THR A 72 104.391 109.434 -24.751 1.00 0.00 H new ATOM 0 HG21 THR A 72 105.348 107.828 -23.375 1.00 0.00 H new ATOM 0 HG22 THR A 72 104.137 106.618 -22.888 1.00 0.00 H new ATOM 0 HG23 THR A 72 104.288 107.088 -24.598 1.00 0.00 H new ATOM 1125 N GLY A 73 100.956 110.074 -22.481 1.00 0.00 N ATOM 1126 CA GLY A 73 100.492 111.455 -22.492 1.00 0.00 C ATOM 1127 C GLY A 73 101.241 112.347 -23.507 1.00 0.00 C ATOM 1128 O GLY A 73 100.638 113.201 -24.147 1.00 0.00 O ATOM 0 H GLY A 73 101.225 109.699 -21.571 1.00 0.00 H new ATOM 0 HA2 GLY A 73 99.427 111.471 -22.723 1.00 0.00 H new ATOM 0 HA3 GLY A 73 100.608 111.877 -21.494 1.00 0.00 H new ATOM 1132 N GLU A 74 102.569 112.117 -23.628 1.00 0.00 N ATOM 1133 CA GLU A 74 103.345 112.998 -24.491 1.00 0.00 C ATOM 1134 C GLU A 74 102.793 113.022 -25.928 1.00 0.00 C ATOM 1135 O GLU A 74 102.550 114.082 -26.490 1.00 0.00 O ATOM 1136 CB GLU A 74 104.822 112.600 -24.498 1.00 0.00 C ATOM 1137 CG GLU A 74 105.404 112.529 -23.086 1.00 0.00 C ATOM 1138 CD GLU A 74 105.436 111.082 -22.584 1.00 0.00 C ATOM 1139 OE1 GLU A 74 106.020 110.238 -23.262 1.00 0.00 O ATOM 1140 OE2 GLU A 74 104.879 110.817 -21.519 1.00 0.00 O ATOM 0 H GLU A 74 103.089 111.372 -23.164 1.00 0.00 H new ATOM 0 HA GLU A 74 103.257 114.004 -24.081 1.00 0.00 H new ATOM 0 HB2 GLU A 74 104.934 111.631 -24.985 1.00 0.00 H new ATOM 0 HB3 GLU A 74 105.389 113.321 -25.088 1.00 0.00 H new ATOM 0 HG2 GLU A 74 106.412 112.943 -23.082 1.00 0.00 H new ATOM 0 HG3 GLU A 74 104.806 113.140 -22.410 1.00 0.00 H new ATOM 1147 N ALA A 75 102.582 111.804 -26.472 1.00 0.00 N ATOM 1148 CA ALA A 75 101.901 111.721 -27.760 1.00 0.00 C ATOM 1149 C ALA A 75 100.519 112.387 -27.706 1.00 0.00 C ATOM 1150 O ALA A 75 100.175 113.180 -28.567 1.00 0.00 O ATOM 1151 CB ALA A 75 101.731 110.255 -28.178 1.00 0.00 C ATOM 0 H ALA A 75 102.860 110.914 -26.058 1.00 0.00 H new ATOM 0 HA ALA A 75 102.517 112.247 -28.490 1.00 0.00 H new ATOM 0 HB1 ALA A 75 101.222 110.208 -29.140 1.00 0.00 H new ATOM 0 HB2 ALA A 75 102.711 109.785 -28.263 1.00 0.00 H new ATOM 0 HB3 ALA A 75 101.140 109.729 -27.428 1.00 0.00 H new ATOM 1157 N GLN A 76 99.765 112.054 -26.644 1.00 0.00 N ATOM 1158 CA GLN A 76 98.383 112.509 -26.591 1.00 0.00 C ATOM 1159 C GLN A 76 98.249 114.044 -26.758 1.00 0.00 C ATOM 1160 O GLN A 76 97.300 114.526 -27.363 1.00 0.00 O ATOM 1161 CB GLN A 76 97.808 112.086 -25.241 1.00 0.00 C ATOM 1162 CG GLN A 76 97.380 110.618 -25.233 1.00 0.00 C ATOM 1163 CD GLN A 76 96.929 110.218 -23.827 1.00 0.00 C ATOM 1164 OE1 GLN A 76 96.574 111.049 -23.000 1.00 0.00 O ATOM 1165 NE2 GLN A 76 96.967 108.889 -23.622 1.00 0.00 N ATOM 0 H GLN A 76 100.078 111.497 -25.849 1.00 0.00 H new ATOM 0 HA GLN A 76 97.838 112.059 -27.421 1.00 0.00 H new ATOM 0 HB2 GLN A 76 98.553 112.250 -24.463 1.00 0.00 H new ATOM 0 HB3 GLN A 76 96.951 112.714 -24.999 1.00 0.00 H new ATOM 0 HG2 GLN A 76 96.568 110.462 -25.943 1.00 0.00 H new ATOM 0 HG3 GLN A 76 98.209 109.986 -25.553 1.00 0.00 H new ATOM 0 HE21 GLN A 76 97.277 108.267 -24.368 1.00 0.00 H new ATOM 0 HE22 GLN A 76 96.686 108.504 -22.720 1.00 0.00 H new ATOM 1174 N ASP A 77 99.235 114.776 -26.201 1.00 0.00 N ATOM 1175 CA ASP A 77 99.269 116.212 -26.425 1.00 0.00 C ATOM 1176 C ASP A 77 99.567 116.542 -27.900 1.00 0.00 C ATOM 1177 O ASP A 77 98.926 117.394 -28.504 1.00 0.00 O ATOM 1178 CB ASP A 77 100.341 116.834 -25.533 1.00 0.00 C ATOM 1179 CG ASP A 77 100.031 118.313 -25.297 1.00 0.00 C ATOM 1180 OD1 ASP A 77 99.223 118.610 -24.418 1.00 0.00 O ATOM 1181 OD2 ASP A 77 100.601 119.151 -25.994 1.00 0.00 O ATOM 0 H ASP A 77 99.985 114.404 -25.618 1.00 0.00 H new ATOM 0 HA ASP A 77 98.290 116.623 -26.179 1.00 0.00 H new ATOM 0 HB2 ASP A 77 100.384 116.306 -24.580 1.00 0.00 H new ATOM 0 HB3 ASP A 77 101.320 116.729 -26.000 1.00 0.00 H new ATOM 1186 N ILE A 78 100.571 115.820 -28.440 1.00 0.00 N ATOM 1187 CA ILE A 78 101.000 116.093 -29.797 1.00 0.00 C ATOM 1188 C ILE A 78 99.870 115.825 -30.811 1.00 0.00 C ATOM 1189 O ILE A 78 99.614 116.629 -31.697 1.00 0.00 O ATOM 1190 CB ILE A 78 102.211 115.199 -30.097 1.00 0.00 C ATOM 1191 CG1 ILE A 78 103.427 115.522 -29.218 1.00 0.00 C ATOM 1192 CG2 ILE A 78 102.594 115.221 -31.580 1.00 0.00 C ATOM 1193 CD1 ILE A 78 103.449 116.947 -28.654 1.00 0.00 C ATOM 0 H ILE A 78 101.075 115.072 -27.964 1.00 0.00 H new ATOM 0 HA ILE A 78 101.267 117.146 -29.890 1.00 0.00 H new ATOM 0 HB ILE A 78 101.893 114.187 -29.846 1.00 0.00 H new ATOM 0 HG12 ILE A 78 103.456 114.817 -28.387 1.00 0.00 H new ATOM 0 HG13 ILE A 78 104.333 115.363 -29.802 1.00 0.00 H new ATOM 0 HG21 ILE A 78 103.456 114.574 -31.743 1.00 0.00 H new ATOM 0 HG22 ILE A 78 101.755 114.865 -32.178 1.00 0.00 H new ATOM 0 HG23 ILE A 78 102.844 116.240 -31.876 1.00 0.00 H new ATOM 0 HD11 ILE A 78 104.343 117.084 -28.046 1.00 0.00 H new ATOM 0 HD12 ILE A 78 103.455 117.663 -29.475 1.00 0.00 H new ATOM 0 HD13 ILE A 78 102.564 117.108 -28.039 1.00 0.00 H new ATOM 1205 N ILE A 79 99.231 114.653 -30.640 1.00 0.00 N ATOM 1206 CA ILE A 79 98.197 114.245 -31.573 1.00 0.00 C ATOM 1207 C ILE A 79 96.986 115.188 -31.539 1.00 0.00 C ATOM 1208 O ILE A 79 96.470 115.589 -32.575 1.00 0.00 O ATOM 1209 CB ILE A 79 97.704 112.847 -31.199 1.00 0.00 C ATOM 1210 CG1 ILE A 79 98.827 111.826 -30.993 1.00 0.00 C ATOM 1211 CG2 ILE A 79 96.683 112.354 -32.219 1.00 0.00 C ATOM 1212 CD1 ILE A 79 100.065 112.092 -31.848 1.00 0.00 C ATOM 0 H ILE A 79 99.414 113.996 -29.882 1.00 0.00 H new ATOM 0 HA ILE A 79 98.635 114.266 -32.571 1.00 0.00 H new ATOM 0 HB ILE A 79 97.222 112.941 -30.226 1.00 0.00 H new ATOM 0 HG12 ILE A 79 99.116 111.824 -29.942 1.00 0.00 H new ATOM 0 HG13 ILE A 79 98.447 110.830 -31.220 1.00 0.00 H new ATOM 0 HG21 ILE A 79 96.341 111.357 -31.939 1.00 0.00 H new ATOM 0 HG22 ILE A 79 95.833 113.036 -32.242 1.00 0.00 H new ATOM 0 HG23 ILE A 79 97.144 112.316 -33.206 1.00 0.00 H new ATOM 0 HD11 ILE A 79 100.817 111.328 -31.648 1.00 0.00 H new ATOM 0 HD12 ILE A 79 99.792 112.064 -32.903 1.00 0.00 H new ATOM 0 HD13 ILE A 79 100.471 113.074 -31.604 1.00 0.00 H new ATOM 1224 N SER A 80 96.548 115.507 -30.305 1.00 0.00 N ATOM 1225 CA SER A 80 95.406 116.402 -30.197 1.00 0.00 C ATOM 1226 C SER A 80 95.673 117.762 -30.871 1.00 0.00 C ATOM 1227 O SER A 80 94.856 118.265 -31.632 1.00 0.00 O ATOM 1228 CB SER A 80 95.082 116.607 -28.710 1.00 0.00 C ATOM 1229 OG SER A 80 95.065 115.425 -27.919 1.00 0.00 O ATOM 0 H SER A 80 96.946 115.177 -29.426 1.00 0.00 H new ATOM 0 HA SER A 80 94.560 115.948 -30.714 1.00 0.00 H new ATOM 0 HB2 SER A 80 95.814 117.295 -28.288 1.00 0.00 H new ATOM 0 HB3 SER A 80 94.108 117.090 -28.631 1.00 0.00 H new ATOM 0 HG SER A 80 95.930 115.320 -27.470 1.00 0.00 H new ATOM 1235 N ASN A 81 96.858 118.318 -30.554 1.00 0.00 N ATOM 1236 CA ASN A 81 97.185 119.604 -31.155 1.00 0.00 C ATOM 1237 C ASN A 81 97.393 119.483 -32.678 1.00 0.00 C ATOM 1238 O ASN A 81 96.897 120.294 -33.451 1.00 0.00 O ATOM 1239 CB ASN A 81 98.450 120.171 -30.507 1.00 0.00 C ATOM 1240 CG ASN A 81 98.397 121.701 -30.523 1.00 0.00 C ATOM 1241 OD1 ASN A 81 98.937 122.358 -31.403 1.00 0.00 O ATOM 1242 ND2 ASN A 81 97.709 122.214 -29.488 1.00 0.00 N ATOM 0 H ASN A 81 97.557 117.922 -29.926 1.00 0.00 H new ATOM 0 HA ASN A 81 96.345 120.277 -30.982 1.00 0.00 H new ATOM 0 HB2 ASN A 81 98.537 119.811 -29.482 1.00 0.00 H new ATOM 0 HB3 ASN A 81 99.333 119.822 -31.043 1.00 0.00 H new ATOM 0 HD21 ASN A 81 97.607 123.225 -29.394 1.00 0.00 H new ATOM 0 HD22 ASN A 81 97.289 121.593 -28.797 1.00 0.00 H new ATOM 1249 N ALA A 82 98.152 118.437 -33.058 1.00 0.00 N ATOM 1250 CA ALA A 82 98.520 118.308 -34.457 1.00 0.00 C ATOM 1251 C ALA A 82 97.302 118.039 -35.350 1.00 0.00 C ATOM 1252 O ALA A 82 97.133 118.659 -36.389 1.00 0.00 O ATOM 1253 CB ALA A 82 99.525 117.180 -34.638 1.00 0.00 C ATOM 0 H ALA A 82 98.503 117.706 -32.439 1.00 0.00 H new ATOM 0 HA ALA A 82 98.964 119.257 -34.758 1.00 0.00 H new ATOM 0 HB1 ALA A 82 99.791 117.095 -35.692 1.00 0.00 H new ATOM 0 HB2 ALA A 82 100.420 117.393 -34.053 1.00 0.00 H new ATOM 0 HB3 ALA A 82 99.085 116.242 -34.299 1.00 0.00 H new