USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 759 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 Set 1.1: A 2 SER OG : rot 180:sc= -1.03 USER MOD Set 1.2: A 90 ASN : amide:sc= -1.88 X(o=-2.9,f=-2.9!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 141:sc= -0.236 USER MOD Single : A 6 TYR OH : rot 165:sc= -0.0709 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 120:sc= -0.632 USER MOD Single : A 12 ASN : amide:sc= -0.0295 X(o=-0.03,f=-0.11) USER MOD Single : A 16 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -149:sc= -1.48 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.437 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 170:sc= 0.373 (180deg=0.345) USER MOD Single : A 33 THR OG1 : rot -77:sc= -1.67! USER MOD Single : A 41 HIS : no HD1:sc= -3.23 K(o=-3.2,f=-7.5!) USER MOD Single : A 46 ASN :FLIP amide:sc= 0.222 F(o=-1.5!,f=0.22) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN :FLIP amide:sc= -5.29! C(o=-5.9!,f=-5.3!) USER MOD Single : A 58 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000947) USER MOD Single : A 59 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.107) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -106:sc= 0.934 USER MOD Single : A 72 THR OG1 : rot -150:sc= 0.0441 USER MOD Single : A 76 GLN : amide:sc= -0.131 K(o=-0.13,f=-2.1!) USER MOD Single : A 80 SER OG : rot 97:sc= 1.14 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot 90:sc= 1.23 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.281 X(o=-0.28,f=-0.7) USER MOD Single : A 96 LYS NZ :NH3+ -139:sc= -0.0376 (180deg=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 101.220 113.436 -46.895 1.00 0.00 N ATOM 2 CA MET A 1 102.097 114.588 -46.725 1.00 0.00 C ATOM 3 C MET A 1 101.300 115.826 -46.309 1.00 0.00 C ATOM 4 O MET A 1 101.198 116.806 -47.037 1.00 0.00 O ATOM 5 CB MET A 1 102.877 114.891 -48.007 1.00 0.00 C ATOM 6 CG MET A 1 103.779 116.121 -47.874 1.00 0.00 C ATOM 7 SD MET A 1 104.472 116.261 -46.218 1.00 0.00 S ATOM 8 CE MET A 1 106.158 116.677 -46.687 1.00 0.00 C ATOM 0 H1 MET A 1 101.784 112.609 -47.177 1.00 0.00 H new ATOM 0 H2 MET A 1 100.734 113.234 -45.998 1.00 0.00 H new ATOM 0 H3 MET A 1 100.515 113.642 -47.632 1.00 0.00 H new ATOM 0 HA MET A 1 102.806 114.337 -45.936 1.00 0.00 H new ATOM 0 HB2 MET A 1 103.486 114.026 -48.270 1.00 0.00 H new ATOM 0 HB3 MET A 1 102.175 115.047 -48.826 1.00 0.00 H new ATOM 0 HG2 MET A 1 104.587 116.060 -48.603 1.00 0.00 H new ATOM 0 HG3 MET A 1 103.207 117.019 -48.106 1.00 0.00 H new ATOM 0 HE1 MET A 1 106.763 116.808 -45.790 1.00 0.00 H new ATOM 0 HE2 MET A 1 106.576 115.873 -47.292 1.00 0.00 H new ATOM 0 HE3 MET A 1 106.158 117.602 -47.263 1.00 0.00 H new ATOM 20 N SER A 2 100.741 115.708 -45.091 1.00 0.00 N ATOM 21 CA SER A 2 99.418 116.270 -44.898 1.00 0.00 C ATOM 22 C SER A 2 99.083 116.312 -43.402 1.00 0.00 C ATOM 23 O SER A 2 99.005 117.370 -42.791 1.00 0.00 O ATOM 24 CB SER A 2 98.379 115.443 -45.676 1.00 0.00 C ATOM 25 OG SER A 2 97.052 115.516 -45.169 1.00 0.00 O ATOM 0 H SER A 2 101.162 115.256 -44.280 1.00 0.00 H new ATOM 0 HA SER A 2 99.397 117.290 -45.281 1.00 0.00 H new ATOM 0 HB2 SER A 2 98.374 115.776 -46.714 1.00 0.00 H new ATOM 0 HB3 SER A 2 98.695 114.400 -45.678 1.00 0.00 H new ATOM 0 HG SER A 2 96.460 114.964 -45.722 1.00 0.00 H new ATOM 31 N LYS A 3 98.893 115.094 -42.860 1.00 0.00 N ATOM 32 CA LYS A 3 98.805 114.975 -41.411 1.00 0.00 C ATOM 33 C LYS A 3 100.192 115.137 -40.755 1.00 0.00 C ATOM 34 O LYS A 3 100.379 115.937 -39.847 1.00 0.00 O ATOM 35 CB LYS A 3 98.186 113.609 -41.077 1.00 0.00 C ATOM 36 CG LYS A 3 98.434 113.145 -39.639 1.00 0.00 C ATOM 37 CD LYS A 3 97.744 111.813 -39.344 1.00 0.00 C ATOM 38 CE LYS A 3 96.389 112.008 -38.663 1.00 0.00 C ATOM 39 NZ LYS A 3 95.434 110.965 -39.017 1.00 0.00 N ATOM 0 H LYS A 3 98.802 114.223 -43.382 1.00 0.00 H new ATOM 0 HA LYS A 3 98.175 115.770 -41.012 1.00 0.00 H new ATOM 0 HB2 LYS A 3 97.111 113.657 -41.252 1.00 0.00 H new ATOM 0 HB3 LYS A 3 98.588 112.863 -41.763 1.00 0.00 H new ATOM 0 HG2 LYS A 3 99.506 113.044 -39.470 1.00 0.00 H new ATOM 0 HG3 LYS A 3 98.072 113.903 -38.945 1.00 0.00 H new ATOM 0 HD2 LYS A 3 97.606 111.262 -40.274 1.00 0.00 H new ATOM 0 HD3 LYS A 3 98.386 111.206 -38.706 1.00 0.00 H new ATOM 0 HE2 LYS A 3 96.527 112.019 -37.582 1.00 0.00 H new ATOM 0 HE3 LYS A 3 95.982 112.980 -38.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 94.532 111.141 -38.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 95.280 110.970 -40.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 95.808 110.039 -38.728 1.00 0.00 H new ATOM 53 N VAL A 4 101.137 114.330 -41.273 1.00 0.00 N ATOM 54 CA VAL A 4 102.349 114.053 -40.518 1.00 0.00 C ATOM 55 C VAL A 4 103.175 115.322 -40.228 1.00 0.00 C ATOM 56 O VAL A 4 103.738 115.475 -39.155 1.00 0.00 O ATOM 57 CB VAL A 4 103.198 113.034 -41.272 1.00 0.00 C ATOM 58 CG1 VAL A 4 102.409 111.759 -41.574 1.00 0.00 C ATOM 59 CG2 VAL A 4 103.788 113.635 -42.542 1.00 0.00 C ATOM 0 H VAL A 4 101.079 113.876 -42.184 1.00 0.00 H new ATOM 0 HA VAL A 4 102.046 113.648 -39.552 1.00 0.00 H new ATOM 0 HB VAL A 4 104.028 112.757 -40.622 1.00 0.00 H new ATOM 0 HG11 VAL A 4 103.045 111.056 -42.112 1.00 0.00 H new ATOM 0 HG12 VAL A 4 102.077 111.307 -40.640 1.00 0.00 H new ATOM 0 HG13 VAL A 4 101.541 112.005 -42.186 1.00 0.00 H new ATOM 0 HG21 VAL A 4 104.387 112.883 -43.056 1.00 0.00 H new ATOM 0 HG22 VAL A 4 102.982 113.966 -43.197 1.00 0.00 H new ATOM 0 HG23 VAL A 4 104.418 114.486 -42.283 1.00 0.00 H new ATOM 69 N THR A 5 103.223 116.216 -41.229 1.00 0.00 N ATOM 70 CA THR A 5 103.976 117.446 -41.049 1.00 0.00 C ATOM 71 C THR A 5 103.464 118.267 -39.843 1.00 0.00 C ATOM 72 O THR A 5 104.245 118.855 -39.104 1.00 0.00 O ATOM 73 CB THR A 5 103.799 118.289 -42.318 1.00 0.00 C ATOM 74 OG1 THR A 5 104.134 117.572 -43.490 1.00 0.00 O ATOM 75 CG2 THR A 5 104.508 119.644 -42.215 1.00 0.00 C ATOM 0 H THR A 5 102.765 116.109 -42.134 1.00 0.00 H new ATOM 0 HA THR A 5 105.020 117.192 -40.864 1.00 0.00 H new ATOM 0 HB THR A 5 102.736 118.514 -42.404 1.00 0.00 H new ATOM 0 HG1 THR A 5 103.498 117.793 -44.202 1.00 0.00 H new ATOM 0 HG21 THR A 5 104.355 120.206 -43.136 1.00 0.00 H new ATOM 0 HG22 THR A 5 104.099 120.206 -41.375 1.00 0.00 H new ATOM 0 HG23 THR A 5 105.575 119.485 -42.060 1.00 0.00 H new ATOM 83 N TYR A 6 102.126 118.275 -39.688 1.00 0.00 N ATOM 84 CA TYR A 6 101.533 118.873 -38.500 1.00 0.00 C ATOM 85 C TYR A 6 101.926 118.122 -37.210 1.00 0.00 C ATOM 86 O TYR A 6 102.129 118.735 -36.172 1.00 0.00 O ATOM 87 CB TYR A 6 100.006 118.924 -38.637 1.00 0.00 C ATOM 88 CG TYR A 6 99.569 119.950 -39.654 1.00 0.00 C ATOM 89 CD1 TYR A 6 99.937 121.308 -39.486 1.00 0.00 C ATOM 90 CD2 TYR A 6 98.810 119.577 -40.792 1.00 0.00 C ATOM 91 CE1 TYR A 6 99.577 122.278 -40.454 1.00 0.00 C ATOM 92 CE2 TYR A 6 98.449 120.542 -41.764 1.00 0.00 C ATOM 93 CZ TYR A 6 98.833 121.894 -41.596 1.00 0.00 C ATOM 94 OH TYR A 6 98.485 122.835 -42.543 1.00 0.00 O ATOM 0 H TYR A 6 101.461 117.884 -40.355 1.00 0.00 H new ATOM 0 HA TYR A 6 101.925 119.887 -38.419 1.00 0.00 H new ATOM 0 HB2 TYR A 6 99.634 117.942 -38.929 1.00 0.00 H new ATOM 0 HB3 TYR A 6 99.562 119.159 -37.670 1.00 0.00 H new ATOM 0 HD1 TYR A 6 100.497 121.606 -38.612 1.00 0.00 H new ATOM 0 HD2 TYR A 6 98.505 118.549 -40.919 1.00 0.00 H new ATOM 0 HE1 TYR A 6 99.870 123.309 -40.321 1.00 0.00 H new ATOM 0 HE2 TYR A 6 97.881 120.246 -42.633 1.00 0.00 H new ATOM 0 HH TYR A 6 98.195 122.383 -43.363 1.00 0.00 H new ATOM 104 N ILE A 7 102.002 116.779 -37.317 1.00 0.00 N ATOM 105 CA ILE A 7 102.476 115.993 -36.183 1.00 0.00 C ATOM 106 C ILE A 7 103.898 116.408 -35.759 1.00 0.00 C ATOM 107 O ILE A 7 104.185 116.594 -34.583 1.00 0.00 O ATOM 108 CB ILE A 7 102.441 114.505 -36.538 1.00 0.00 C ATOM 109 CG1 ILE A 7 101.066 114.106 -37.074 1.00 0.00 C ATOM 110 CG2 ILE A 7 102.826 113.647 -35.332 1.00 0.00 C ATOM 111 CD1 ILE A 7 99.964 114.541 -36.111 1.00 0.00 C ATOM 0 H ILE A 7 101.750 116.242 -38.147 1.00 0.00 H new ATOM 0 HA ILE A 7 101.814 116.182 -35.338 1.00 0.00 H new ATOM 0 HB ILE A 7 103.175 114.328 -37.325 1.00 0.00 H new ATOM 0 HG12 ILE A 7 100.904 114.563 -38.050 1.00 0.00 H new ATOM 0 HG13 ILE A 7 101.025 113.026 -37.217 1.00 0.00 H new ATOM 0 HG21 ILE A 7 102.794 112.593 -35.610 1.00 0.00 H new ATOM 0 HG22 ILE A 7 103.834 113.906 -35.008 1.00 0.00 H new ATOM 0 HG23 ILE A 7 102.125 113.829 -34.517 1.00 0.00 H new ATOM 0 HD11 ILE A 7 98.994 114.247 -36.512 1.00 0.00 H new ATOM 0 HD12 ILE A 7 100.117 114.063 -35.143 1.00 0.00 H new ATOM 0 HD13 ILE A 7 99.994 115.624 -35.989 1.00 0.00 H new ATOM 123 N ILE A 8 104.760 116.536 -36.786 1.00 0.00 N ATOM 124 CA ILE A 8 106.095 117.069 -36.574 1.00 0.00 C ATOM 125 C ILE A 8 106.045 118.460 -35.911 1.00 0.00 C ATOM 126 O ILE A 8 106.715 118.718 -34.919 1.00 0.00 O ATOM 127 CB ILE A 8 106.814 117.160 -37.924 1.00 0.00 C ATOM 128 CG1 ILE A 8 106.881 115.797 -38.621 1.00 0.00 C ATOM 129 CG2 ILE A 8 108.215 117.747 -37.752 1.00 0.00 C ATOM 130 CD1 ILE A 8 107.257 115.916 -40.098 1.00 0.00 C ATOM 0 H ILE A 8 104.550 116.279 -37.750 1.00 0.00 H new ATOM 0 HA ILE A 8 106.636 116.401 -35.904 1.00 0.00 H new ATOM 0 HB ILE A 8 106.234 117.828 -38.561 1.00 0.00 H new ATOM 0 HG12 ILE A 8 107.611 115.167 -38.113 1.00 0.00 H new ATOM 0 HG13 ILE A 8 105.915 115.299 -38.534 1.00 0.00 H new ATOM 0 HG21 ILE A 8 108.708 117.803 -38.723 1.00 0.00 H new ATOM 0 HG22 ILE A 8 108.141 118.747 -37.325 1.00 0.00 H new ATOM 0 HG23 ILE A 8 108.797 117.110 -37.086 1.00 0.00 H new ATOM 0 HD11 ILE A 8 107.291 114.923 -40.546 1.00 0.00 H new ATOM 0 HD12 ILE A 8 106.513 116.522 -40.615 1.00 0.00 H new ATOM 0 HD13 ILE A 8 108.235 116.388 -40.187 1.00 0.00 H new ATOM 142 N LYS A 9 105.210 119.332 -36.516 1.00 0.00 N ATOM 143 CA LYS A 9 105.052 120.681 -35.999 1.00 0.00 C ATOM 144 C LYS A 9 104.649 120.683 -34.512 1.00 0.00 C ATOM 145 O LYS A 9 105.258 121.349 -33.684 1.00 0.00 O ATOM 146 CB LYS A 9 103.961 121.375 -36.815 1.00 0.00 C ATOM 147 CG LYS A 9 104.010 122.897 -36.675 1.00 0.00 C ATOM 148 CD LYS A 9 104.354 123.578 -37.999 1.00 0.00 C ATOM 149 CE LYS A 9 103.102 123.937 -38.800 1.00 0.00 C ATOM 150 NZ LYS A 9 103.415 124.651 -40.031 1.00 0.00 N ATOM 0 H LYS A 9 104.653 119.120 -37.343 1.00 0.00 H new ATOM 0 HA LYS A 9 106.006 121.202 -36.082 1.00 0.00 H new ATOM 0 HB2 LYS A 9 104.069 121.105 -37.866 1.00 0.00 H new ATOM 0 HB3 LYS A 9 102.984 121.014 -36.493 1.00 0.00 H new ATOM 0 HG2 LYS A 9 103.046 123.260 -36.319 1.00 0.00 H new ATOM 0 HG3 LYS A 9 104.751 123.169 -35.923 1.00 0.00 H new ATOM 0 HD2 LYS A 9 104.931 124.482 -37.803 1.00 0.00 H new ATOM 0 HD3 LYS A 9 104.987 122.918 -38.592 1.00 0.00 H new ATOM 0 HE2 LYS A 9 102.555 123.026 -39.041 1.00 0.00 H new ATOM 0 HE3 LYS A 9 102.444 124.551 -38.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 102.534 124.872 -40.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 103.914 125.535 -39.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 104.021 124.057 -40.632 1.00 0.00 H new ATOM 164 N ALA A 10 103.590 119.897 -34.234 1.00 0.00 N ATOM 165 CA ALA A 10 103.002 119.929 -32.904 1.00 0.00 C ATOM 166 C ALA A 10 103.956 119.324 -31.860 1.00 0.00 C ATOM 167 O ALA A 10 104.160 119.887 -30.792 1.00 0.00 O ATOM 168 CB ALA A 10 101.668 119.174 -32.893 1.00 0.00 C ATOM 0 H ALA A 10 103.146 119.258 -34.894 1.00 0.00 H new ATOM 0 HA ALA A 10 102.825 120.972 -32.641 1.00 0.00 H new ATOM 0 HB1 ALA A 10 101.240 119.206 -31.891 1.00 0.00 H new ATOM 0 HB2 ALA A 10 100.980 119.641 -33.597 1.00 0.00 H new ATOM 0 HB3 ALA A 10 101.835 118.137 -33.183 1.00 0.00 H new ATOM 174 N SER A 11 104.526 118.152 -32.221 1.00 0.00 N ATOM 175 CA SER A 11 105.561 117.594 -31.363 1.00 0.00 C ATOM 176 C SER A 11 106.696 118.597 -31.071 1.00 0.00 C ATOM 177 O SER A 11 107.130 118.757 -29.938 1.00 0.00 O ATOM 178 CB SER A 11 106.150 116.334 -32.017 1.00 0.00 C ATOM 179 OG SER A 11 107.304 115.805 -31.374 1.00 0.00 O ATOM 0 H SER A 11 104.296 117.610 -33.054 1.00 0.00 H new ATOM 0 HA SER A 11 105.091 117.348 -30.411 1.00 0.00 H new ATOM 0 HB2 SER A 11 105.381 115.562 -32.041 1.00 0.00 H new ATOM 0 HB3 SER A 11 106.403 116.565 -33.052 1.00 0.00 H new ATOM 0 HG SER A 11 107.122 114.889 -31.078 1.00 0.00 H new ATOM 185 N ASN A 12 107.131 119.238 -32.179 1.00 0.00 N ATOM 186 CA ASN A 12 108.158 120.278 -32.195 1.00 0.00 C ATOM 187 C ASN A 12 109.446 119.730 -32.811 1.00 0.00 C ATOM 188 O ASN A 12 110.479 119.622 -32.162 1.00 0.00 O ATOM 189 CB ASN A 12 108.445 120.863 -30.810 1.00 0.00 C ATOM 190 CG ASN A 12 109.323 122.109 -30.941 1.00 0.00 C ATOM 191 OD1 ASN A 12 110.525 122.082 -30.705 1.00 0.00 O ATOM 192 ND2 ASN A 12 108.636 123.197 -31.333 1.00 0.00 N ATOM 0 H ASN A 12 106.761 119.033 -33.107 1.00 0.00 H new ATOM 0 HA ASN A 12 107.770 121.094 -32.804 1.00 0.00 H new ATOM 0 HB2 ASN A 12 107.509 121.118 -30.313 1.00 0.00 H new ATOM 0 HB3 ASN A 12 108.944 120.120 -30.188 1.00 0.00 H new ATOM 0 HD21 ASN A 12 109.118 124.088 -31.455 1.00 0.00 H new ATOM 0 HD22 ASN A 12 107.633 123.131 -31.509 1.00 0.00 H new ATOM 199 N ASP A 13 109.303 119.395 -34.108 1.00 0.00 N ATOM 200 CA ASP A 13 110.459 118.939 -34.870 1.00 0.00 C ATOM 201 C ASP A 13 111.206 117.793 -34.159 1.00 0.00 C ATOM 202 O ASP A 13 112.421 117.817 -34.010 1.00 0.00 O ATOM 203 CB ASP A 13 111.413 120.111 -35.109 1.00 0.00 C ATOM 204 CG ASP A 13 112.211 119.875 -36.392 1.00 0.00 C ATOM 205 OD1 ASP A 13 111.598 119.635 -37.430 1.00 0.00 O ATOM 206 OD2 ASP A 13 113.439 119.935 -36.339 1.00 0.00 O ATOM 0 H ASP A 13 108.426 119.432 -34.627 1.00 0.00 H new ATOM 0 HA ASP A 13 110.096 118.553 -35.823 1.00 0.00 H new ATOM 0 HB2 ASP A 13 110.849 121.041 -35.186 1.00 0.00 H new ATOM 0 HB3 ASP A 13 112.091 120.218 -34.262 1.00 0.00 H new ATOM 211 N VAL A 14 110.400 116.799 -33.734 1.00 0.00 N ATOM 212 CA VAL A 14 110.935 115.470 -33.483 1.00 0.00 C ATOM 213 C VAL A 14 110.689 114.572 -34.702 1.00 0.00 C ATOM 214 O VAL A 14 111.617 114.073 -35.328 1.00 0.00 O ATOM 215 CB VAL A 14 110.251 114.897 -32.242 1.00 0.00 C ATOM 216 CG1 VAL A 14 110.621 113.429 -32.016 1.00 0.00 C ATOM 217 CG2 VAL A 14 110.595 115.735 -31.009 1.00 0.00 C ATOM 0 H VAL A 14 109.399 116.899 -33.564 1.00 0.00 H new ATOM 0 HA VAL A 14 112.010 115.521 -33.312 1.00 0.00 H new ATOM 0 HB VAL A 14 109.175 114.940 -32.409 1.00 0.00 H new ATOM 0 HG11 VAL A 14 110.114 113.059 -31.124 1.00 0.00 H new ATOM 0 HG12 VAL A 14 110.313 112.839 -32.879 1.00 0.00 H new ATOM 0 HG13 VAL A 14 111.699 113.342 -31.883 1.00 0.00 H new ATOM 0 HG21 VAL A 14 110.100 115.314 -30.134 1.00 0.00 H new ATOM 0 HG22 VAL A 14 111.674 115.729 -30.854 1.00 0.00 H new ATOM 0 HG23 VAL A 14 110.256 116.760 -31.160 1.00 0.00 H new ATOM 227 N LEU A 15 109.384 114.403 -34.992 1.00 0.00 N ATOM 228 CA LEU A 15 109.016 113.377 -35.949 1.00 0.00 C ATOM 229 C LEU A 15 109.580 113.732 -37.327 1.00 0.00 C ATOM 230 O LEU A 15 109.971 114.861 -37.597 1.00 0.00 O ATOM 231 CB LEU A 15 107.490 113.253 -36.041 1.00 0.00 C ATOM 232 CG LEU A 15 106.811 112.756 -34.761 1.00 0.00 C ATOM 233 CD1 LEU A 15 107.316 111.383 -34.323 1.00 0.00 C ATOM 234 CD2 LEU A 15 106.920 113.769 -33.624 1.00 0.00 C ATOM 0 H LEU A 15 108.613 114.939 -34.594 1.00 0.00 H new ATOM 0 HA LEU A 15 109.429 112.425 -35.616 1.00 0.00 H new ATOM 0 HB2 LEU A 15 107.075 114.226 -36.302 1.00 0.00 H new ATOM 0 HB3 LEU A 15 107.243 112.572 -36.855 1.00 0.00 H new ATOM 0 HG LEU A 15 105.755 112.645 -35.006 1.00 0.00 H new ATOM 0 HD11 LEU A 15 106.801 111.080 -33.411 1.00 0.00 H new ATOM 0 HD12 LEU A 15 107.119 110.655 -35.110 1.00 0.00 H new ATOM 0 HD13 LEU A 15 108.388 111.433 -34.135 1.00 0.00 H new ATOM 0 HD21 LEU A 15 106.425 113.375 -32.737 1.00 0.00 H new ATOM 0 HD22 LEU A 15 107.971 113.954 -33.401 1.00 0.00 H new ATOM 0 HD23 LEU A 15 106.442 114.703 -33.921 1.00 0.00 H new ATOM 246 N ASN A 16 109.589 112.685 -38.172 1.00 0.00 N ATOM 247 CA ASN A 16 109.599 112.917 -39.609 1.00 0.00 C ATOM 248 C ASN A 16 108.144 112.966 -40.105 1.00 0.00 C ATOM 249 O ASN A 16 107.229 113.256 -39.343 1.00 0.00 O ATOM 250 CB ASN A 16 110.425 111.817 -40.293 1.00 0.00 C ATOM 251 CG ASN A 16 111.886 111.891 -39.841 1.00 0.00 C ATOM 252 OD1 ASN A 16 112.348 112.891 -39.306 1.00 0.00 O ATOM 253 ND2 ASN A 16 112.572 110.762 -40.094 1.00 0.00 N ATOM 0 H ASN A 16 109.589 111.705 -37.888 1.00 0.00 H new ATOM 0 HA ASN A 16 110.068 113.869 -39.857 1.00 0.00 H new ATOM 0 HB2 ASN A 16 110.011 110.838 -40.050 1.00 0.00 H new ATOM 0 HB3 ASN A 16 110.366 111.929 -41.376 1.00 0.00 H new ATOM 0 HD21 ASN A 16 113.556 110.694 -39.835 1.00 0.00 H new ATOM 0 HD22 ASN A 16 112.108 109.973 -40.545 1.00 0.00 H new ATOM 260 N GLU A 17 107.974 112.671 -41.410 1.00 0.00 N ATOM 261 CA GLU A 17 106.750 112.000 -41.823 1.00 0.00 C ATOM 262 C GLU A 17 106.553 110.675 -41.066 1.00 0.00 C ATOM 263 O GLU A 17 105.546 110.459 -40.404 1.00 0.00 O ATOM 264 CB GLU A 17 106.795 111.738 -43.329 1.00 0.00 C ATOM 265 CG GLU A 17 106.740 113.036 -44.137 1.00 0.00 C ATOM 266 CD GLU A 17 108.150 113.606 -44.302 1.00 0.00 C ATOM 267 OE1 GLU A 17 108.889 113.109 -45.150 1.00 0.00 O ATOM 268 OE2 GLU A 17 108.494 114.541 -43.580 1.00 0.00 O ATOM 0 H GLU A 17 108.639 112.879 -42.155 1.00 0.00 H new ATOM 0 HA GLU A 17 105.907 112.649 -41.586 1.00 0.00 H new ATOM 0 HB2 GLU A 17 107.708 111.195 -43.576 1.00 0.00 H new ATOM 0 HB3 GLU A 17 105.958 111.099 -43.611 1.00 0.00 H new ATOM 0 HG2 GLU A 17 106.298 112.847 -45.115 1.00 0.00 H new ATOM 0 HG3 GLU A 17 106.102 113.762 -43.633 1.00 0.00 H new ATOM 275 N LYS A 18 107.578 109.815 -41.210 1.00 0.00 N ATOM 276 CA LYS A 18 107.348 108.392 -41.008 1.00 0.00 C ATOM 277 C LYS A 18 106.942 108.076 -39.557 1.00 0.00 C ATOM 278 O LYS A 18 105.968 107.378 -39.306 1.00 0.00 O ATOM 279 CB LYS A 18 108.619 107.627 -41.364 1.00 0.00 C ATOM 280 CG LYS A 18 109.004 107.819 -42.826 1.00 0.00 C ATOM 281 CD LYS A 18 110.079 106.825 -43.257 1.00 0.00 C ATOM 282 CE LYS A 18 110.990 107.398 -44.343 1.00 0.00 C ATOM 283 NZ LYS A 18 110.354 107.404 -45.656 1.00 0.00 N ATOM 0 H LYS A 18 108.533 110.075 -41.456 1.00 0.00 H new ATOM 0 HA LYS A 18 106.525 108.085 -41.653 1.00 0.00 H new ATOM 0 HB2 LYS A 18 109.436 107.963 -40.726 1.00 0.00 H new ATOM 0 HB3 LYS A 18 108.473 106.566 -41.163 1.00 0.00 H new ATOM 0 HG2 LYS A 18 108.122 107.698 -43.455 1.00 0.00 H new ATOM 0 HG3 LYS A 18 109.366 108.836 -42.977 1.00 0.00 H new ATOM 0 HD2 LYS A 18 110.680 106.543 -42.392 1.00 0.00 H new ATOM 0 HD3 LYS A 18 109.604 105.915 -43.625 1.00 0.00 H new ATOM 0 HE2 LYS A 18 111.274 108.416 -44.075 1.00 0.00 H new ATOM 0 HE3 LYS A 18 111.908 106.812 -44.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 111.011 107.801 -46.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 110.106 106.431 -45.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 109.492 107.984 -45.621 1.00 0.00 H new ATOM 297 N THR A 19 107.747 108.628 -38.628 1.00 0.00 N ATOM 298 CA THR A 19 107.388 108.504 -37.224 1.00 0.00 C ATOM 299 C THR A 19 106.056 109.199 -36.876 1.00 0.00 C ATOM 300 O THR A 19 105.300 108.723 -36.039 1.00 0.00 O ATOM 301 CB THR A 19 108.527 109.047 -36.358 1.00 0.00 C ATOM 302 OG1 THR A 19 108.738 110.419 -36.606 1.00 0.00 O ATOM 303 CG2 THR A 19 109.825 108.257 -36.561 1.00 0.00 C ATOM 0 H THR A 19 108.608 109.139 -38.821 1.00 0.00 H new ATOM 0 HA THR A 19 107.237 107.445 -37.017 1.00 0.00 H new ATOM 0 HB THR A 19 108.227 108.925 -35.317 1.00 0.00 H new ATOM 0 HG1 THR A 19 109.684 110.634 -36.471 1.00 0.00 H new ATOM 0 HG21 THR A 19 110.608 108.675 -35.928 1.00 0.00 H new ATOM 0 HG22 THR A 19 109.661 107.213 -36.294 1.00 0.00 H new ATOM 0 HG23 THR A 19 110.130 108.321 -37.605 1.00 0.00 H new ATOM 311 N ALA A 20 105.811 110.342 -37.544 1.00 0.00 N ATOM 312 CA ALA A 20 104.572 111.054 -37.285 1.00 0.00 C ATOM 313 C ALA A 20 103.333 110.204 -37.642 1.00 0.00 C ATOM 314 O ALA A 20 102.384 110.127 -36.872 1.00 0.00 O ATOM 315 CB ALA A 20 104.576 112.344 -38.112 1.00 0.00 C ATOM 0 H ALA A 20 106.430 110.767 -38.234 1.00 0.00 H new ATOM 0 HA ALA A 20 104.512 111.277 -36.220 1.00 0.00 H new ATOM 0 HB1 ALA A 20 103.653 112.895 -37.932 1.00 0.00 H new ATOM 0 HB2 ALA A 20 105.428 112.959 -37.822 1.00 0.00 H new ATOM 0 HB3 ALA A 20 104.650 112.097 -39.171 1.00 0.00 H new ATOM 321 N THR A 21 103.390 109.579 -38.836 1.00 0.00 N ATOM 322 CA THR A 21 102.274 108.721 -39.227 1.00 0.00 C ATOM 323 C THR A 21 102.151 107.459 -38.344 1.00 0.00 C ATOM 324 O THR A 21 101.055 107.011 -38.028 1.00 0.00 O ATOM 325 CB THR A 21 102.368 108.384 -40.724 1.00 0.00 C ATOM 326 OG1 THR A 21 101.092 108.134 -41.272 1.00 0.00 O ATOM 327 CG2 THR A 21 103.343 107.249 -41.053 1.00 0.00 C ATOM 0 H THR A 21 104.155 109.650 -39.507 1.00 0.00 H new ATOM 0 HA THR A 21 101.351 109.277 -39.060 1.00 0.00 H new ATOM 0 HB THR A 21 102.787 109.273 -41.196 1.00 0.00 H new ATOM 0 HG1 THR A 21 101.181 107.924 -42.225 1.00 0.00 H new ATOM 0 HG21 THR A 21 103.349 107.075 -42.129 1.00 0.00 H new ATOM 0 HG22 THR A 21 104.345 107.524 -40.724 1.00 0.00 H new ATOM 0 HG23 THR A 21 103.029 106.340 -40.540 1.00 0.00 H new ATOM 335 N ILE A 22 103.325 106.911 -37.981 1.00 0.00 N ATOM 336 CA ILE A 22 103.340 105.670 -37.221 1.00 0.00 C ATOM 337 C ILE A 22 102.827 105.883 -35.783 1.00 0.00 C ATOM 338 O ILE A 22 101.949 105.174 -35.306 1.00 0.00 O ATOM 339 CB ILE A 22 104.776 105.144 -37.194 1.00 0.00 C ATOM 340 CG1 ILE A 22 105.274 104.808 -38.605 1.00 0.00 C ATOM 341 CG2 ILE A 22 104.941 103.976 -36.213 1.00 0.00 C ATOM 342 CD1 ILE A 22 105.106 103.333 -38.979 1.00 0.00 C ATOM 0 H ILE A 22 104.243 107.300 -38.198 1.00 0.00 H new ATOM 0 HA ILE A 22 102.676 104.949 -37.698 1.00 0.00 H new ATOM 0 HB ILE A 22 105.413 105.945 -36.819 1.00 0.00 H new ATOM 0 HG12 ILE A 22 104.735 105.421 -39.327 1.00 0.00 H new ATOM 0 HG13 ILE A 22 106.328 105.076 -38.683 1.00 0.00 H new ATOM 0 HG21 ILE A 22 105.976 103.633 -36.226 1.00 0.00 H new ATOM 0 HG22 ILE A 22 104.680 104.306 -35.207 1.00 0.00 H new ATOM 0 HG23 ILE A 22 104.284 103.158 -36.508 1.00 0.00 H new ATOM 0 HD11 ILE A 22 105.479 103.169 -39.990 1.00 0.00 H new ATOM 0 HD12 ILE A 22 105.668 102.714 -38.280 1.00 0.00 H new ATOM 0 HD13 ILE A 22 104.051 103.064 -38.934 1.00 0.00 H new ATOM 354 N LEU A 23 103.430 106.899 -35.131 1.00 0.00 N ATOM 355 CA LEU A 23 102.956 107.305 -33.813 1.00 0.00 C ATOM 356 C LEU A 23 101.434 107.562 -33.798 1.00 0.00 C ATOM 357 O LEU A 23 100.755 107.258 -32.826 1.00 0.00 O ATOM 358 CB LEU A 23 103.721 108.572 -33.388 1.00 0.00 C ATOM 359 CG LEU A 23 103.058 109.394 -32.275 1.00 0.00 C ATOM 360 CD1 LEU A 23 102.941 108.574 -30.991 1.00 0.00 C ATOM 361 CD2 LEU A 23 103.827 110.695 -32.028 1.00 0.00 C ATOM 0 H LEU A 23 104.221 107.433 -35.491 1.00 0.00 H new ATOM 0 HA LEU A 23 103.143 106.495 -33.108 1.00 0.00 H new ATOM 0 HB2 LEU A 23 104.718 108.281 -33.058 1.00 0.00 H new ATOM 0 HB3 LEU A 23 103.848 109.210 -34.262 1.00 0.00 H new ATOM 0 HG LEU A 23 102.051 109.656 -32.599 1.00 0.00 H new ATOM 0 HD11 LEU A 23 102.468 109.177 -30.216 1.00 0.00 H new ATOM 0 HD12 LEU A 23 102.337 107.687 -31.180 1.00 0.00 H new ATOM 0 HD13 LEU A 23 103.935 108.272 -30.660 1.00 0.00 H new ATOM 0 HD21 LEU A 23 103.339 111.261 -31.235 1.00 0.00 H new ATOM 0 HD22 LEU A 23 104.850 110.462 -31.731 1.00 0.00 H new ATOM 0 HD23 LEU A 23 103.841 111.289 -32.942 1.00 0.00 H new ATOM 373 N ILE A 24 100.948 108.147 -34.908 1.00 0.00 N ATOM 374 CA ILE A 24 99.519 108.365 -35.024 1.00 0.00 C ATOM 375 C ILE A 24 98.744 107.039 -34.984 1.00 0.00 C ATOM 376 O ILE A 24 97.781 106.888 -34.245 1.00 0.00 O ATOM 377 CB ILE A 24 99.269 109.152 -36.305 1.00 0.00 C ATOM 378 CG1 ILE A 24 99.787 110.571 -36.094 1.00 0.00 C ATOM 379 CG2 ILE A 24 97.801 109.123 -36.745 1.00 0.00 C ATOM 380 CD1 ILE A 24 98.725 111.474 -35.467 1.00 0.00 C ATOM 0 H ILE A 24 101.508 108.462 -35.701 1.00 0.00 H new ATOM 0 HA ILE A 24 99.152 108.940 -34.174 1.00 0.00 H new ATOM 0 HB ILE A 24 99.809 108.682 -37.127 1.00 0.00 H new ATOM 0 HG12 ILE A 24 100.668 110.545 -35.452 1.00 0.00 H new ATOM 0 HG13 ILE A 24 100.102 110.989 -37.050 1.00 0.00 H new ATOM 0 HG21 ILE A 24 97.685 109.700 -37.662 1.00 0.00 H new ATOM 0 HG22 ILE A 24 97.495 108.092 -36.924 1.00 0.00 H new ATOM 0 HG23 ILE A 24 97.178 109.556 -35.962 1.00 0.00 H new ATOM 0 HD11 ILE A 24 99.133 112.476 -35.333 1.00 0.00 H new ATOM 0 HD12 ILE A 24 97.855 111.521 -36.122 1.00 0.00 H new ATOM 0 HD13 ILE A 24 98.429 111.070 -34.499 1.00 0.00 H new ATOM 392 N THR A 25 99.216 106.100 -35.822 1.00 0.00 N ATOM 393 CA THR A 25 98.462 104.871 -35.990 1.00 0.00 C ATOM 394 C THR A 25 98.310 104.110 -34.656 1.00 0.00 C ATOM 395 O THR A 25 97.225 103.665 -34.304 1.00 0.00 O ATOM 396 CB THR A 25 99.148 103.987 -37.041 1.00 0.00 C ATOM 397 OG1 THR A 25 99.870 104.720 -38.013 1.00 0.00 O ATOM 398 CG2 THR A 25 98.142 103.054 -37.714 1.00 0.00 C ATOM 0 H THR A 25 100.076 106.171 -36.365 1.00 0.00 H new ATOM 0 HA THR A 25 97.459 105.128 -36.331 1.00 0.00 H new ATOM 0 HB THR A 25 99.881 103.392 -36.496 1.00 0.00 H new ATOM 0 HG1 THR A 25 100.283 104.100 -38.650 1.00 0.00 H new ATOM 0 HG21 THR A 25 98.654 102.439 -38.454 1.00 0.00 H new ATOM 0 HG22 THR A 25 97.683 102.411 -36.963 1.00 0.00 H new ATOM 0 HG23 THR A 25 97.370 103.645 -38.206 1.00 0.00 H new ATOM 406 N ILE A 26 99.448 103.988 -33.940 1.00 0.00 N ATOM 407 CA ILE A 26 99.360 103.514 -32.563 1.00 0.00 C ATOM 408 C ILE A 26 98.467 104.426 -31.704 1.00 0.00 C ATOM 409 O ILE A 26 97.565 103.978 -31.007 1.00 0.00 O ATOM 410 CB ILE A 26 100.754 103.471 -31.932 1.00 0.00 C ATOM 411 CG1 ILE A 26 101.758 102.659 -32.756 1.00 0.00 C ATOM 412 CG2 ILE A 26 100.679 102.954 -30.495 1.00 0.00 C ATOM 413 CD1 ILE A 26 103.131 103.327 -32.748 1.00 0.00 C ATOM 0 H ILE A 26 100.387 104.201 -34.278 1.00 0.00 H new ATOM 0 HA ILE A 26 98.922 102.516 -32.593 1.00 0.00 H new ATOM 0 HB ILE A 26 101.125 104.496 -31.919 1.00 0.00 H new ATOM 0 HG12 ILE A 26 101.837 101.650 -32.351 1.00 0.00 H new ATOM 0 HG13 ILE A 26 101.401 102.563 -33.781 1.00 0.00 H new ATOM 0 HG21 ILE A 26 101.680 102.931 -30.064 1.00 0.00 H new ATOM 0 HG22 ILE A 26 100.044 103.614 -29.904 1.00 0.00 H new ATOM 0 HG23 ILE A 26 100.259 101.948 -30.492 1.00 0.00 H new ATOM 0 HD11 ILE A 26 103.828 102.733 -33.339 1.00 0.00 H new ATOM 0 HD12 ILE A 26 103.052 104.326 -33.176 1.00 0.00 H new ATOM 0 HD13 ILE A 26 103.495 103.399 -31.723 1.00 0.00 H new ATOM 425 N ALA A 27 98.786 105.729 -31.809 1.00 0.00 N ATOM 426 CA ALA A 27 98.200 106.706 -30.897 1.00 0.00 C ATOM 427 C ALA A 27 96.663 106.625 -30.855 1.00 0.00 C ATOM 428 O ALA A 27 96.058 106.615 -29.790 1.00 0.00 O ATOM 429 CB ALA A 27 98.600 108.107 -31.356 1.00 0.00 C ATOM 0 H ALA A 27 99.430 106.115 -32.500 1.00 0.00 H new ATOM 0 HA ALA A 27 98.573 106.489 -29.896 1.00 0.00 H new ATOM 0 HB1 ALA A 27 98.168 108.848 -30.683 1.00 0.00 H new ATOM 0 HB2 ALA A 27 99.686 108.197 -31.346 1.00 0.00 H new ATOM 0 HB3 ALA A 27 98.231 108.278 -32.367 1.00 0.00 H new ATOM 435 N LYS A 28 96.071 106.570 -32.066 1.00 0.00 N ATOM 436 CA LYS A 28 94.629 106.415 -32.167 1.00 0.00 C ATOM 437 C LYS A 28 94.157 105.165 -31.405 1.00 0.00 C ATOM 438 O LYS A 28 93.336 105.235 -30.498 1.00 0.00 O ATOM 439 CB LYS A 28 94.217 106.356 -33.647 1.00 0.00 C ATOM 440 CG LYS A 28 93.563 107.662 -34.099 1.00 0.00 C ATOM 441 CD LYS A 28 92.037 107.568 -34.095 1.00 0.00 C ATOM 442 CE LYS A 28 91.380 108.949 -34.060 1.00 0.00 C ATOM 443 NZ LYS A 28 91.358 109.587 -35.372 1.00 0.00 N ATOM 0 H LYS A 28 96.564 106.630 -32.957 1.00 0.00 H new ATOM 0 HA LYS A 28 94.146 107.277 -31.706 1.00 0.00 H new ATOM 0 HB2 LYS A 28 95.094 106.155 -34.262 1.00 0.00 H new ATOM 0 HB3 LYS A 28 93.524 105.529 -33.800 1.00 0.00 H new ATOM 0 HG2 LYS A 28 93.878 108.472 -33.442 1.00 0.00 H new ATOM 0 HG3 LYS A 28 93.908 107.913 -35.102 1.00 0.00 H new ATOM 0 HD2 LYS A 28 91.704 107.030 -34.983 1.00 0.00 H new ATOM 0 HD3 LYS A 28 91.711 106.989 -33.231 1.00 0.00 H new ATOM 0 HE2 LYS A 28 90.360 108.854 -33.688 1.00 0.00 H new ATOM 0 HE3 LYS A 28 91.917 109.586 -33.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 90.904 110.519 -35.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 92.332 109.703 -35.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 90.823 108.994 -36.038 1.00 0.00 H new ATOM 457 N LYS A 29 94.733 104.029 -31.839 1.00 0.00 N ATOM 458 CA LYS A 29 94.164 102.744 -31.479 1.00 0.00 C ATOM 459 C LYS A 29 94.867 102.209 -30.225 1.00 0.00 C ATOM 460 O LYS A 29 96.085 102.094 -30.163 1.00 0.00 O ATOM 461 CB LYS A 29 94.347 101.757 -32.630 1.00 0.00 C ATOM 462 CG LYS A 29 93.240 100.711 -32.644 1.00 0.00 C ATOM 463 CD LYS A 29 93.793 99.315 -32.914 1.00 0.00 C ATOM 464 CE LYS A 29 92.686 98.307 -33.230 1.00 0.00 C ATOM 465 NZ LYS A 29 92.995 96.971 -32.737 1.00 0.00 N ATOM 0 H LYS A 29 95.568 103.986 -32.423 1.00 0.00 H new ATOM 0 HA LYS A 29 93.100 102.864 -31.277 1.00 0.00 H new ATOM 0 HB2 LYS A 29 94.352 102.297 -33.577 1.00 0.00 H new ATOM 0 HB3 LYS A 29 95.315 101.264 -32.539 1.00 0.00 H new ATOM 0 HG2 LYS A 29 92.719 100.718 -31.687 1.00 0.00 H new ATOM 0 HG3 LYS A 29 92.506 100.967 -33.408 1.00 0.00 H new ATOM 0 HD2 LYS A 29 94.492 99.358 -33.749 1.00 0.00 H new ATOM 0 HD3 LYS A 29 94.355 98.974 -32.045 1.00 0.00 H new ATOM 0 HE2 LYS A 29 91.750 98.648 -32.786 1.00 0.00 H new ATOM 0 HE3 LYS A 29 92.532 98.267 -34.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 92.153 96.366 -32.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 93.771 96.565 -33.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 93.282 97.027 -31.739 1.00 0.00 H new ATOM 479 N ASP A 30 94.007 101.895 -29.241 1.00 0.00 N ATOM 480 CA ASP A 30 94.475 101.445 -27.947 1.00 0.00 C ATOM 481 C ASP A 30 94.557 99.913 -27.928 1.00 0.00 C ATOM 482 O ASP A 30 93.550 99.215 -27.953 1.00 0.00 O ATOM 483 CB ASP A 30 93.488 101.915 -26.882 1.00 0.00 C ATOM 484 CG ASP A 30 93.515 103.441 -26.773 1.00 0.00 C ATOM 485 OD1 ASP A 30 93.160 104.106 -27.746 1.00 0.00 O ATOM 486 OD2 ASP A 30 93.892 103.948 -25.717 1.00 0.00 O ATOM 0 H ASP A 30 92.992 101.949 -29.330 1.00 0.00 H new ATOM 0 HA ASP A 30 95.465 101.855 -27.749 1.00 0.00 H new ATOM 0 HB2 ASP A 30 92.482 101.579 -27.134 1.00 0.00 H new ATOM 0 HB3 ASP A 30 93.741 101.470 -25.920 1.00 0.00 H new ATOM 491 N PHE A 31 95.818 99.447 -27.882 1.00 0.00 N ATOM 492 CA PHE A 31 96.112 98.079 -28.282 1.00 0.00 C ATOM 493 C PHE A 31 95.733 97.883 -29.759 1.00 0.00 C ATOM 494 O PHE A 31 94.911 97.046 -30.113 1.00 0.00 O ATOM 495 CB PHE A 31 95.384 97.037 -27.405 1.00 0.00 C ATOM 496 CG PHE A 31 95.575 97.165 -25.906 1.00 0.00 C ATOM 497 CD1 PHE A 31 96.637 97.921 -25.337 1.00 0.00 C ATOM 498 CD2 PHE A 31 94.659 96.519 -25.034 1.00 0.00 C ATOM 499 CE1 PHE A 31 96.759 98.054 -23.932 1.00 0.00 C ATOM 500 CE2 PHE A 31 94.785 96.638 -23.629 1.00 0.00 C ATOM 501 CZ PHE A 31 95.834 97.409 -23.076 1.00 0.00 C ATOM 0 H PHE A 31 96.626 99.991 -27.578 1.00 0.00 H new ATOM 0 HA PHE A 31 97.181 97.919 -28.145 1.00 0.00 H new ATOM 0 HB2 PHE A 31 94.317 97.096 -27.620 1.00 0.00 H new ATOM 0 HB3 PHE A 31 95.716 96.044 -27.708 1.00 0.00 H new ATOM 0 HD1 PHE A 31 97.358 98.399 -25.983 1.00 0.00 H new ATOM 0 HD2 PHE A 31 93.855 95.929 -25.448 1.00 0.00 H new ATOM 0 HE1 PHE A 31 97.558 98.648 -23.514 1.00 0.00 H new ATOM 0 HE2 PHE A 31 94.080 96.140 -22.979 1.00 0.00 H new ATOM 0 HZ PHE A 31 95.929 97.505 -22.005 1.00 0.00 H new ATOM 511 N ILE A 32 96.395 98.721 -30.586 1.00 0.00 N ATOM 512 CA ILE A 32 96.974 98.282 -31.845 1.00 0.00 C ATOM 513 C ILE A 32 97.851 97.035 -31.636 1.00 0.00 C ATOM 514 O ILE A 32 97.747 96.336 -30.638 1.00 0.00 O ATOM 515 CB ILE A 32 97.731 99.469 -32.472 1.00 0.00 C ATOM 516 CG1 ILE A 32 97.726 99.357 -33.993 1.00 0.00 C ATOM 517 CG2 ILE A 32 99.155 99.630 -31.933 1.00 0.00 C ATOM 518 CD1 ILE A 32 97.938 100.717 -34.656 1.00 0.00 C ATOM 0 H ILE A 32 96.535 99.712 -30.389 1.00 0.00 H new ATOM 0 HA ILE A 32 96.196 97.975 -32.544 1.00 0.00 H new ATOM 0 HB ILE A 32 97.197 100.374 -32.180 1.00 0.00 H new ATOM 0 HG12 ILE A 32 98.510 98.670 -34.311 1.00 0.00 H new ATOM 0 HG13 ILE A 32 96.778 98.933 -34.324 1.00 0.00 H new ATOM 0 HG21 ILE A 32 99.632 100.483 -32.415 1.00 0.00 H new ATOM 0 HG22 ILE A 32 99.120 99.795 -30.856 1.00 0.00 H new ATOM 0 HG23 ILE A 32 99.728 98.727 -32.143 1.00 0.00 H new ATOM 0 HD11 ILE A 32 97.929 100.599 -35.740 1.00 0.00 H new ATOM 0 HD12 ILE A 32 97.139 101.396 -34.358 1.00 0.00 H new ATOM 0 HD13 ILE A 32 98.898 101.128 -34.344 1.00 0.00 H new ATOM 530 N THR A 33 98.705 96.794 -32.645 1.00 0.00 N ATOM 531 CA THR A 33 100.043 96.305 -32.342 1.00 0.00 C ATOM 532 C THR A 33 101.031 96.916 -33.346 1.00 0.00 C ATOM 533 O THR A 33 100.684 97.764 -34.162 1.00 0.00 O ATOM 534 CB THR A 33 100.063 94.766 -32.408 1.00 0.00 C ATOM 535 OG1 THR A 33 99.979 94.260 -33.723 1.00 0.00 O ATOM 536 CG2 THR A 33 98.964 94.140 -31.542 1.00 0.00 C ATOM 0 H THR A 33 98.498 96.925 -33.635 1.00 0.00 H new ATOM 0 HA THR A 33 100.335 96.600 -31.334 1.00 0.00 H new ATOM 0 HB THR A 33 101.036 94.480 -32.009 1.00 0.00 H new ATOM 0 HG1 THR A 33 99.053 94.321 -34.038 1.00 0.00 H new ATOM 0 HG21 THR A 33 99.015 93.054 -31.618 1.00 0.00 H new ATOM 0 HG22 THR A 33 99.106 94.438 -30.503 1.00 0.00 H new ATOM 0 HG23 THR A 33 97.989 94.483 -31.888 1.00 0.00 H new ATOM 544 N ALA A 34 102.281 96.434 -33.236 1.00 0.00 N ATOM 545 CA ALA A 34 103.171 96.566 -34.384 1.00 0.00 C ATOM 546 C ALA A 34 102.594 95.937 -35.671 1.00 0.00 C ATOM 547 O ALA A 34 102.775 96.462 -36.762 1.00 0.00 O ATOM 548 CB ALA A 34 104.522 95.931 -34.057 1.00 0.00 C ATOM 0 H ALA A 34 102.674 95.977 -32.413 1.00 0.00 H new ATOM 0 HA ALA A 34 103.287 97.632 -34.580 1.00 0.00 H new ATOM 0 HB1 ALA A 34 105.187 96.029 -34.915 1.00 0.00 H new ATOM 0 HB2 ALA A 34 104.962 96.435 -33.197 1.00 0.00 H new ATOM 0 HB3 ALA A 34 104.381 94.875 -33.826 1.00 0.00 H new ATOM 554 N ALA A 35 101.908 94.792 -35.488 1.00 0.00 N ATOM 555 CA ALA A 35 101.337 94.100 -36.633 1.00 0.00 C ATOM 556 C ALA A 35 100.343 94.995 -37.403 1.00 0.00 C ATOM 557 O ALA A 35 100.423 95.128 -38.617 1.00 0.00 O ATOM 558 CB ALA A 35 100.651 92.806 -36.173 1.00 0.00 C ATOM 0 H ALA A 35 101.745 94.347 -34.585 1.00 0.00 H new ATOM 0 HA ALA A 35 102.149 93.853 -37.317 1.00 0.00 H new ATOM 0 HB1 ALA A 35 100.226 92.293 -37.036 1.00 0.00 H new ATOM 0 HB2 ALA A 35 101.383 92.158 -35.690 1.00 0.00 H new ATOM 0 HB3 ALA A 35 99.857 93.047 -35.466 1.00 0.00 H new ATOM 564 N GLU A 36 99.407 95.593 -36.638 1.00 0.00 N ATOM 565 CA GLU A 36 98.442 96.463 -37.289 1.00 0.00 C ATOM 566 C GLU A 36 99.112 97.677 -37.962 1.00 0.00 C ATOM 567 O GLU A 36 98.739 98.063 -39.062 1.00 0.00 O ATOM 568 CB GLU A 36 97.365 96.922 -36.297 1.00 0.00 C ATOM 569 CG GLU A 36 95.968 96.683 -36.863 1.00 0.00 C ATOM 570 CD GLU A 36 94.933 96.606 -35.737 1.00 0.00 C ATOM 571 OE1 GLU A 36 95.127 97.256 -34.712 1.00 0.00 O ATOM 572 OE2 GLU A 36 93.943 95.894 -35.899 1.00 0.00 O ATOM 0 H GLU A 36 99.309 95.492 -35.628 1.00 0.00 H new ATOM 0 HA GLU A 36 97.967 95.878 -38.077 1.00 0.00 H new ATOM 0 HB2 GLU A 36 97.478 96.383 -35.356 1.00 0.00 H new ATOM 0 HB3 GLU A 36 97.496 97.981 -36.076 1.00 0.00 H new ATOM 0 HG2 GLU A 36 95.706 97.488 -37.550 1.00 0.00 H new ATOM 0 HG3 GLU A 36 95.957 95.757 -37.438 1.00 0.00 H new ATOM 579 N VAL A 37 100.107 98.257 -37.257 1.00 0.00 N ATOM 580 CA VAL A 37 100.811 99.371 -37.876 1.00 0.00 C ATOM 581 C VAL A 37 101.482 98.953 -39.204 1.00 0.00 C ATOM 582 O VAL A 37 101.390 99.652 -40.206 1.00 0.00 O ATOM 583 CB VAL A 37 101.859 99.914 -36.898 1.00 0.00 C ATOM 584 CG1 VAL A 37 102.714 100.997 -37.557 1.00 0.00 C ATOM 585 CG2 VAL A 37 101.206 100.449 -35.620 1.00 0.00 C ATOM 0 H VAL A 37 100.417 97.988 -36.323 1.00 0.00 H new ATOM 0 HA VAL A 37 100.085 100.150 -38.109 1.00 0.00 H new ATOM 0 HB VAL A 37 102.509 99.084 -36.621 1.00 0.00 H new ATOM 0 HG11 VAL A 37 103.449 101.365 -36.842 1.00 0.00 H new ATOM 0 HG12 VAL A 37 103.228 100.579 -38.423 1.00 0.00 H new ATOM 0 HG13 VAL A 37 102.075 101.820 -37.877 1.00 0.00 H new ATOM 0 HG21 VAL A 37 101.977 100.826 -34.948 1.00 0.00 H new ATOM 0 HG22 VAL A 37 100.518 101.256 -35.873 1.00 0.00 H new ATOM 0 HG23 VAL A 37 100.657 99.646 -35.128 1.00 0.00 H new ATOM 595 N ARG A 38 102.154 97.784 -39.153 1.00 0.00 N ATOM 596 CA ARG A 38 102.641 97.175 -40.380 1.00 0.00 C ATOM 597 C ARG A 38 101.528 97.013 -41.437 1.00 0.00 C ATOM 598 O ARG A 38 101.714 97.316 -42.609 1.00 0.00 O ATOM 599 CB ARG A 38 103.249 95.815 -40.051 1.00 0.00 C ATOM 600 CG ARG A 38 104.590 95.944 -39.329 1.00 0.00 C ATOM 601 CD ARG A 38 105.686 95.127 -40.019 1.00 0.00 C ATOM 602 NE ARG A 38 106.639 94.620 -39.045 1.00 0.00 N ATOM 603 CZ ARG A 38 106.373 93.460 -38.418 1.00 0.00 C ATOM 604 NH1 ARG A 38 105.368 93.385 -37.550 1.00 0.00 N ATOM 605 NH2 ARG A 38 107.116 92.384 -38.666 1.00 0.00 N ATOM 0 H ARG A 38 102.360 97.267 -38.298 1.00 0.00 H new ATOM 0 HA ARG A 38 103.394 97.836 -40.809 1.00 0.00 H new ATOM 0 HB2 ARG A 38 102.556 95.249 -39.429 1.00 0.00 H new ATOM 0 HB3 ARG A 38 103.386 95.248 -40.971 1.00 0.00 H new ATOM 0 HG2 ARG A 38 104.885 96.993 -39.294 1.00 0.00 H new ATOM 0 HG3 ARG A 38 104.482 95.609 -38.297 1.00 0.00 H new ATOM 0 HD2 ARG A 38 105.238 94.296 -40.564 1.00 0.00 H new ATOM 0 HD3 ARG A 38 106.202 95.747 -40.752 1.00 0.00 H new ATOM 0 HE ARG A 38 107.495 95.135 -38.841 1.00 0.00 H new ATOM 0 HH11 ARG A 38 104.797 94.208 -37.359 1.00 0.00 H new ATOM 0 HH12 ARG A 38 105.168 92.504 -37.076 1.00 0.00 H new ATOM 0 HH21 ARG A 38 107.887 92.439 -39.331 1.00 0.00 H new ATOM 0 HH22 ARG A 38 106.914 91.504 -38.191 1.00 0.00 H new ATOM 619 N GLU A 39 100.372 96.517 -40.951 1.00 0.00 N ATOM 620 CA GLU A 39 99.324 96.115 -41.877 1.00 0.00 C ATOM 621 C GLU A 39 98.660 97.326 -42.562 1.00 0.00 C ATOM 622 O GLU A 39 98.374 97.306 -43.753 1.00 0.00 O ATOM 623 CB GLU A 39 98.273 95.320 -41.110 1.00 0.00 C ATOM 624 CG GLU A 39 98.842 94.002 -40.594 1.00 0.00 C ATOM 625 CD GLU A 39 98.401 92.824 -41.470 1.00 0.00 C ATOM 626 OE1 GLU A 39 97.205 92.705 -41.734 1.00 0.00 O ATOM 627 OE2 GLU A 39 99.257 92.041 -41.877 1.00 0.00 O ATOM 0 H GLU A 39 100.156 96.393 -39.962 1.00 0.00 H new ATOM 0 HA GLU A 39 99.775 95.506 -42.661 1.00 0.00 H new ATOM 0 HB2 GLU A 39 97.906 95.913 -40.272 1.00 0.00 H new ATOM 0 HB3 GLU A 39 97.420 95.121 -41.758 1.00 0.00 H new ATOM 0 HG2 GLU A 39 99.930 94.056 -40.575 1.00 0.00 H new ATOM 0 HG3 GLU A 39 98.513 93.838 -39.568 1.00 0.00 H new ATOM 634 N VAL A 40 98.435 98.372 -41.741 1.00 0.00 N ATOM 635 CA VAL A 40 97.669 99.515 -42.210 1.00 0.00 C ATOM 636 C VAL A 40 98.495 100.503 -43.054 1.00 0.00 C ATOM 637 O VAL A 40 97.930 101.382 -43.692 1.00 0.00 O ATOM 638 CB VAL A 40 97.106 100.284 -41.017 1.00 0.00 C ATOM 639 CG1 VAL A 40 98.224 100.798 -40.110 1.00 0.00 C ATOM 640 CG2 VAL A 40 96.239 101.450 -41.504 1.00 0.00 C ATOM 0 H VAL A 40 98.767 98.438 -40.779 1.00 0.00 H new ATOM 0 HA VAL A 40 96.880 99.107 -42.841 1.00 0.00 H new ATOM 0 HB VAL A 40 96.490 99.600 -40.434 1.00 0.00 H new ATOM 0 HG11 VAL A 40 97.791 101.341 -39.270 1.00 0.00 H new ATOM 0 HG12 VAL A 40 98.805 99.955 -39.736 1.00 0.00 H new ATOM 0 HG13 VAL A 40 98.874 101.465 -40.676 1.00 0.00 H new ATOM 0 HG21 VAL A 40 95.842 101.992 -40.645 1.00 0.00 H new ATOM 0 HG22 VAL A 40 96.843 102.124 -42.111 1.00 0.00 H new ATOM 0 HG23 VAL A 40 95.414 101.064 -42.103 1.00 0.00 H new ATOM 650 N HIS A 41 99.834 100.359 -43.016 1.00 0.00 N ATOM 651 CA HIS A 41 100.608 101.009 -44.047 1.00 0.00 C ATOM 652 C HIS A 41 100.307 100.361 -45.417 1.00 0.00 C ATOM 653 O HIS A 41 100.459 99.160 -45.605 1.00 0.00 O ATOM 654 CB HIS A 41 102.082 101.070 -43.598 1.00 0.00 C ATOM 655 CG HIS A 41 103.005 100.014 -44.171 1.00 0.00 C ATOM 656 ND1 HIS A 41 103.248 99.867 -45.490 1.00 0.00 N ATOM 657 CD2 HIS A 41 103.795 99.089 -43.468 1.00 0.00 C ATOM 658 CE1 HIS A 41 104.161 98.886 -45.584 1.00 0.00 C ATOM 659 NE2 HIS A 41 104.508 98.394 -44.381 1.00 0.00 N ATOM 0 H HIS A 41 100.361 99.829 -42.322 1.00 0.00 H new ATOM 0 HA HIS A 41 100.326 102.051 -44.196 1.00 0.00 H new ATOM 0 HB2 HIS A 41 102.479 102.050 -43.862 1.00 0.00 H new ATOM 0 HB3 HIS A 41 102.111 100.996 -42.511 1.00 0.00 H new ATOM 0 HD2 HIS A 41 103.826 98.958 -42.396 1.00 0.00 H new ATOM 0 HE1 HIS A 41 104.570 98.533 -46.519 1.00 0.00 H new ATOM 0 HE2 HIS A 41 105.176 97.646 -44.195 1.00 0.00 H new ATOM 667 N PRO A 42 99.871 101.227 -46.360 1.00 0.00 N ATOM 668 CA PRO A 42 100.503 101.335 -47.664 1.00 0.00 C ATOM 669 C PRO A 42 101.932 101.872 -47.549 1.00 0.00 C ATOM 670 O PRO A 42 102.905 101.208 -47.885 1.00 0.00 O ATOM 671 CB PRO A 42 99.626 102.299 -48.470 1.00 0.00 C ATOM 672 CG PRO A 42 98.533 102.796 -47.520 1.00 0.00 C ATOM 673 CD PRO A 42 98.715 102.091 -46.177 1.00 0.00 C ATOM 0 HA PRO A 42 100.582 100.360 -48.145 1.00 0.00 H new ATOM 0 HB2 PRO A 42 100.216 103.132 -48.851 1.00 0.00 H new ATOM 0 HB3 PRO A 42 99.190 101.796 -49.333 1.00 0.00 H new ATOM 0 HG2 PRO A 42 98.600 103.877 -47.395 1.00 0.00 H new ATOM 0 HG3 PRO A 42 97.546 102.583 -47.931 1.00 0.00 H new ATOM 0 HD2 PRO A 42 98.882 102.809 -45.374 1.00 0.00 H new ATOM 0 HD3 PRO A 42 97.829 101.514 -45.911 1.00 0.00 H new ATOM 681 N ASP A 43 101.978 103.126 -47.057 1.00 0.00 N ATOM 682 CA ASP A 43 102.987 104.062 -47.541 1.00 0.00 C ATOM 683 C ASP A 43 104.252 104.127 -46.656 1.00 0.00 C ATOM 684 O ASP A 43 105.246 104.736 -47.036 1.00 0.00 O ATOM 685 CB ASP A 43 102.360 105.452 -47.665 1.00 0.00 C ATOM 686 CG ASP A 43 101.938 105.980 -46.292 1.00 0.00 C ATOM 687 OD1 ASP A 43 101.076 105.365 -45.663 1.00 0.00 O ATOM 688 OD2 ASP A 43 102.475 107.001 -45.867 1.00 0.00 O ATOM 0 H ASP A 43 101.346 103.497 -46.348 1.00 0.00 H new ATOM 0 HA ASP A 43 103.321 103.697 -48.513 1.00 0.00 H new ATOM 0 HB2 ASP A 43 103.073 106.139 -48.121 1.00 0.00 H new ATOM 0 HB3 ASP A 43 101.494 105.408 -48.325 1.00 0.00 H new ATOM 693 N LEU A 44 104.178 103.485 -45.473 1.00 0.00 N ATOM 694 CA LEU A 44 105.198 103.743 -44.479 1.00 0.00 C ATOM 695 C LEU A 44 106.480 103.000 -44.873 1.00 0.00 C ATOM 696 O LEU A 44 107.479 103.602 -45.246 1.00 0.00 O ATOM 697 CB LEU A 44 104.709 103.291 -43.103 1.00 0.00 C ATOM 698 CG LEU A 44 103.751 104.288 -42.438 1.00 0.00 C ATOM 699 CD1 LEU A 44 102.698 104.847 -43.396 1.00 0.00 C ATOM 700 CD2 LEU A 44 103.084 103.680 -41.203 1.00 0.00 C ATOM 0 H LEU A 44 103.454 102.818 -45.205 1.00 0.00 H new ATOM 0 HA LEU A 44 105.408 104.811 -44.430 1.00 0.00 H new ATOM 0 HB2 LEU A 44 104.208 102.328 -43.202 1.00 0.00 H new ATOM 0 HB3 LEU A 44 105.570 103.137 -42.452 1.00 0.00 H new ATOM 0 HG LEU A 44 104.369 105.130 -42.126 1.00 0.00 H new ATOM 0 HD11 LEU A 44 102.054 105.545 -42.861 1.00 0.00 H new ATOM 0 HD12 LEU A 44 103.192 105.366 -44.218 1.00 0.00 H new ATOM 0 HD13 LEU A 44 102.096 104.029 -43.793 1.00 0.00 H new ATOM 0 HD21 LEU A 44 102.412 104.412 -40.755 1.00 0.00 H new ATOM 0 HD22 LEU A 44 102.516 102.796 -41.494 1.00 0.00 H new ATOM 0 HD23 LEU A 44 103.848 103.398 -40.478 1.00 0.00 H new ATOM 712 N GLY A 45 106.383 101.657 -44.773 1.00 0.00 N ATOM 713 CA GLY A 45 107.484 100.812 -45.213 1.00 0.00 C ATOM 714 C GLY A 45 107.845 99.795 -44.130 1.00 0.00 C ATOM 715 O GLY A 45 107.994 100.135 -42.967 1.00 0.00 O ATOM 0 H GLY A 45 105.575 101.158 -44.402 1.00 0.00 H new ATOM 0 HA2 GLY A 45 107.207 100.292 -46.130 1.00 0.00 H new ATOM 0 HA3 GLY A 45 108.353 101.428 -45.445 1.00 0.00 H new ATOM 719 N ASN A 46 107.998 98.533 -44.564 1.00 0.00 N ATOM 720 CA ASN A 46 108.222 97.489 -43.561 1.00 0.00 C ATOM 721 C ASN A 46 109.416 97.822 -42.640 1.00 0.00 C ATOM 722 O ASN A 46 109.319 97.773 -41.420 1.00 0.00 O ATOM 723 CB ASN A 46 108.510 96.127 -44.212 1.00 0.00 C ATOM 724 CG ASN A 46 107.586 95.813 -45.396 1.00 0.00 C ATOM 725 OD1 ASN A 46 108.004 96.387 -46.539 1.00 0.00 O flip ATOM 726 ND2 ASN A 46 106.587 95.113 -45.277 1.00 0.00 N flip ATOM 0 H ASN A 46 107.973 98.227 -45.537 1.00 0.00 H new ATOM 0 HA ASN A 46 107.302 97.441 -42.978 1.00 0.00 H new ATOM 0 HB2 ASN A 46 109.545 96.106 -44.553 1.00 0.00 H new ATOM 0 HB3 ASN A 46 108.406 95.344 -43.461 1.00 0.00 H new ATOM 0 HD21 ASN A 46 106.346 94.718 -44.368 1.00 0.00 H new ATOM 0 HD22 ASN A 46 105.996 94.925 -46.087 1.00 0.00 H new ATOM 733 N ALA A 47 110.535 98.165 -43.309 1.00 0.00 N ATOM 734 CA ALA A 47 111.751 98.436 -42.559 1.00 0.00 C ATOM 735 C ALA A 47 111.621 99.707 -41.701 1.00 0.00 C ATOM 736 O ALA A 47 111.980 99.715 -40.528 1.00 0.00 O ATOM 737 CB ALA A 47 112.926 98.580 -43.527 1.00 0.00 C ATOM 0 H ALA A 47 110.612 98.255 -44.322 1.00 0.00 H new ATOM 0 HA ALA A 47 111.925 97.598 -41.884 1.00 0.00 H new ATOM 0 HB1 ALA A 47 113.838 98.783 -42.965 1.00 0.00 H new ATOM 0 HB2 ALA A 47 113.047 97.656 -44.093 1.00 0.00 H new ATOM 0 HB3 ALA A 47 112.732 99.404 -44.214 1.00 0.00 H new ATOM 743 N VAL A 48 111.089 100.776 -42.333 1.00 0.00 N ATOM 744 CA VAL A 48 110.948 101.993 -41.542 1.00 0.00 C ATOM 745 C VAL A 48 110.000 101.786 -40.343 1.00 0.00 C ATOM 746 O VAL A 48 110.271 102.248 -39.244 1.00 0.00 O ATOM 747 CB VAL A 48 110.498 103.187 -42.397 1.00 0.00 C ATOM 748 CG1 VAL A 48 111.349 103.325 -43.657 1.00 0.00 C ATOM 749 CG2 VAL A 48 109.014 103.133 -42.757 1.00 0.00 C ATOM 0 H VAL A 48 110.777 100.817 -43.303 1.00 0.00 H new ATOM 0 HA VAL A 48 111.938 102.227 -41.149 1.00 0.00 H new ATOM 0 HB VAL A 48 110.646 104.072 -41.779 1.00 0.00 H new ATOM 0 HG11 VAL A 48 111.003 104.180 -44.238 1.00 0.00 H new ATOM 0 HG12 VAL A 48 112.392 103.475 -43.377 1.00 0.00 H new ATOM 0 HG13 VAL A 48 111.261 102.419 -44.257 1.00 0.00 H new ATOM 0 HG21 VAL A 48 108.754 104.002 -43.361 1.00 0.00 H new ATOM 0 HG22 VAL A 48 108.810 102.224 -43.322 1.00 0.00 H new ATOM 0 HG23 VAL A 48 108.418 103.135 -41.844 1.00 0.00 H new ATOM 759 N VAL A 49 108.895 101.066 -40.612 1.00 0.00 N ATOM 760 CA VAL A 49 107.831 100.941 -39.625 1.00 0.00 C ATOM 761 C VAL A 49 108.332 100.315 -38.308 1.00 0.00 C ATOM 762 O VAL A 49 107.963 100.749 -37.223 1.00 0.00 O ATOM 763 CB VAL A 49 106.685 100.120 -40.228 1.00 0.00 C ATOM 764 CG1 VAL A 49 105.616 99.765 -39.196 1.00 0.00 C ATOM 765 CG2 VAL A 49 106.052 100.884 -41.382 1.00 0.00 C ATOM 0 H VAL A 49 108.726 100.574 -41.490 1.00 0.00 H new ATOM 0 HA VAL A 49 107.472 101.939 -39.372 1.00 0.00 H new ATOM 0 HB VAL A 49 107.113 99.185 -40.589 1.00 0.00 H new ATOM 0 HG11 VAL A 49 104.827 99.184 -39.674 1.00 0.00 H new ATOM 0 HG12 VAL A 49 106.065 99.178 -38.395 1.00 0.00 H new ATOM 0 HG13 VAL A 49 105.192 100.680 -38.782 1.00 0.00 H new ATOM 0 HG21 VAL A 49 105.239 100.295 -41.806 1.00 0.00 H new ATOM 0 HG22 VAL A 49 105.661 101.834 -41.018 1.00 0.00 H new ATOM 0 HG23 VAL A 49 106.803 101.071 -42.150 1.00 0.00 H new ATOM 775 N ASN A 50 109.183 99.282 -38.461 1.00 0.00 N ATOM 776 CA ASN A 50 109.907 98.781 -37.299 1.00 0.00 C ATOM 777 C ASN A 50 110.680 99.898 -36.567 1.00 0.00 C ATOM 778 O ASN A 50 110.621 100.020 -35.350 1.00 0.00 O ATOM 779 CB ASN A 50 110.890 97.691 -37.743 1.00 0.00 C ATOM 780 CG ASN A 50 111.000 96.615 -36.661 1.00 0.00 C ATOM 781 OD1 ASN A 50 111.884 96.638 -35.813 1.00 0.00 O ATOM 782 ND2 ASN A 50 110.041 95.676 -36.753 1.00 0.00 N ATOM 0 H ASN A 50 109.375 98.802 -39.341 1.00 0.00 H new ATOM 0 HA ASN A 50 109.173 98.375 -36.603 1.00 0.00 H new ATOM 0 HB2 ASN A 50 110.553 97.245 -38.679 1.00 0.00 H new ATOM 0 HB3 ASN A 50 111.870 98.129 -37.933 1.00 0.00 H new ATOM 0 HD21 ASN A 50 110.014 94.907 -36.083 1.00 0.00 H new ATOM 0 HD22 ASN A 50 109.341 95.733 -37.493 1.00 0.00 H new ATOM 789 N SER A 51 111.402 100.697 -37.378 1.00 0.00 N ATOM 790 CA SER A 51 112.175 101.774 -36.779 1.00 0.00 C ATOM 791 C SER A 51 111.290 102.823 -36.070 1.00 0.00 C ATOM 792 O SER A 51 111.616 103.272 -34.979 1.00 0.00 O ATOM 793 CB SER A 51 113.045 102.450 -37.851 1.00 0.00 C ATOM 794 OG SER A 51 113.586 103.712 -37.479 1.00 0.00 O ATOM 0 H SER A 51 111.460 100.617 -38.393 1.00 0.00 H new ATOM 0 HA SER A 51 112.809 101.328 -36.013 1.00 0.00 H new ATOM 0 HB2 SER A 51 113.866 101.780 -38.106 1.00 0.00 H new ATOM 0 HB3 SER A 51 112.448 102.580 -38.753 1.00 0.00 H new ATOM 0 HG SER A 51 114.125 104.067 -38.217 1.00 0.00 H new ATOM 800 N ASN A 52 110.173 103.196 -36.730 1.00 0.00 N ATOM 801 CA ASN A 52 109.384 104.313 -36.231 1.00 0.00 C ATOM 802 C ASN A 52 108.685 104.018 -34.889 1.00 0.00 C ATOM 803 O ASN A 52 108.556 104.878 -34.027 1.00 0.00 O ATOM 804 CB ASN A 52 108.290 104.620 -37.243 1.00 0.00 C ATOM 805 CG ASN A 52 108.882 105.053 -38.590 1.00 0.00 C ATOM 806 OD1 ASN A 52 108.531 104.240 -39.599 1.00 0.00 O flip ATOM 807 ND2 ASN A 52 109.602 106.038 -38.698 1.00 0.00 N flip ATOM 0 H ASN A 52 109.817 102.752 -37.577 1.00 0.00 H new ATOM 0 HA ASN A 52 110.075 105.143 -36.080 1.00 0.00 H new ATOM 0 HB2 ASN A 52 107.665 103.738 -37.385 1.00 0.00 H new ATOM 0 HB3 ASN A 52 107.645 105.409 -36.856 1.00 0.00 H new ATOM 0 HD21 ASN A 52 109.820 106.603 -37.877 1.00 0.00 H new ATOM 0 HD22 ASN A 52 109.984 106.293 -39.609 1.00 0.00 H new ATOM 814 N ILE A 53 108.193 102.777 -34.779 1.00 0.00 N ATOM 815 CA ILE A 53 107.591 102.397 -33.519 1.00 0.00 C ATOM 816 C ILE A 53 108.647 102.336 -32.400 1.00 0.00 C ATOM 817 O ILE A 53 108.468 102.895 -31.327 1.00 0.00 O ATOM 818 CB ILE A 53 106.924 101.032 -33.676 1.00 0.00 C ATOM 819 CG1 ILE A 53 105.940 100.986 -34.851 1.00 0.00 C ATOM 820 CG2 ILE A 53 106.202 100.634 -32.395 1.00 0.00 C ATOM 821 CD1 ILE A 53 105.584 99.549 -35.207 1.00 0.00 C ATOM 0 H ILE A 53 108.202 102.063 -35.508 1.00 0.00 H new ATOM 0 HA ILE A 53 106.848 103.146 -33.244 1.00 0.00 H new ATOM 0 HB ILE A 53 107.724 100.322 -33.885 1.00 0.00 H new ATOM 0 HG12 ILE A 53 105.035 101.536 -34.594 1.00 0.00 H new ATOM 0 HG13 ILE A 53 106.379 101.481 -35.717 1.00 0.00 H new ATOM 0 HG21 ILE A 53 105.734 99.659 -32.529 1.00 0.00 H new ATOM 0 HG22 ILE A 53 106.918 100.583 -31.575 1.00 0.00 H new ATOM 0 HG23 ILE A 53 105.437 101.375 -32.163 1.00 0.00 H new ATOM 0 HD11 ILE A 53 104.885 99.544 -36.043 1.00 0.00 H new ATOM 0 HD12 ILE A 53 106.488 99.009 -35.487 1.00 0.00 H new ATOM 0 HD13 ILE A 53 105.124 99.064 -34.346 1.00 0.00 H new ATOM 833 N GLY A 54 109.750 101.632 -32.711 1.00 0.00 N ATOM 834 CA GLY A 54 110.823 101.535 -31.737 1.00 0.00 C ATOM 835 C GLY A 54 111.399 102.896 -31.318 1.00 0.00 C ATOM 836 O GLY A 54 111.690 103.130 -30.154 1.00 0.00 O ATOM 0 H GLY A 54 109.909 101.145 -33.593 1.00 0.00 H new ATOM 0 HA2 GLY A 54 110.453 101.019 -30.851 1.00 0.00 H new ATOM 0 HA3 GLY A 54 111.624 100.923 -32.151 1.00 0.00 H new ATOM 840 N VAL A 55 111.569 103.766 -32.325 1.00 0.00 N ATOM 841 CA VAL A 55 112.187 105.051 -32.037 1.00 0.00 C ATOM 842 C VAL A 55 111.290 105.956 -31.157 1.00 0.00 C ATOM 843 O VAL A 55 111.780 106.699 -30.315 1.00 0.00 O ATOM 844 CB VAL A 55 112.576 105.731 -33.349 1.00 0.00 C ATOM 845 CG1 VAL A 55 111.349 106.288 -34.044 1.00 0.00 C ATOM 846 CG2 VAL A 55 113.628 106.813 -33.128 1.00 0.00 C ATOM 0 H VAL A 55 111.300 103.609 -33.296 1.00 0.00 H new ATOM 0 HA VAL A 55 113.088 104.875 -31.450 1.00 0.00 H new ATOM 0 HB VAL A 55 113.022 104.978 -33.999 1.00 0.00 H new ATOM 0 HG11 VAL A 55 111.646 106.768 -34.976 1.00 0.00 H new ATOM 0 HG12 VAL A 55 110.653 105.477 -34.259 1.00 0.00 H new ATOM 0 HG13 VAL A 55 110.865 107.019 -33.397 1.00 0.00 H new ATOM 0 HG21 VAL A 55 113.881 107.275 -34.082 1.00 0.00 H new ATOM 0 HG22 VAL A 55 113.234 107.571 -32.451 1.00 0.00 H new ATOM 0 HG23 VAL A 55 114.522 106.367 -32.693 1.00 0.00 H new ATOM 856 N LEU A 56 109.961 105.863 -31.391 1.00 0.00 N ATOM 857 CA LEU A 56 109.027 106.353 -30.384 1.00 0.00 C ATOM 858 C LEU A 56 109.288 105.701 -29.007 1.00 0.00 C ATOM 859 O LEU A 56 109.371 106.377 -27.990 1.00 0.00 O ATOM 860 CB LEU A 56 107.614 105.981 -30.848 1.00 0.00 C ATOM 861 CG LEU A 56 106.998 106.950 -31.863 1.00 0.00 C ATOM 862 CD1 LEU A 56 108.029 107.703 -32.702 1.00 0.00 C ATOM 863 CD2 LEU A 56 106.065 106.192 -32.799 1.00 0.00 C ATOM 0 H LEU A 56 109.537 105.470 -32.232 1.00 0.00 H new ATOM 0 HA LEU A 56 109.148 107.431 -30.274 1.00 0.00 H new ATOM 0 HB2 LEU A 56 107.641 104.984 -31.288 1.00 0.00 H new ATOM 0 HB3 LEU A 56 106.962 105.927 -29.976 1.00 0.00 H new ATOM 0 HG LEU A 56 106.456 107.693 -31.278 1.00 0.00 H new ATOM 0 HD11 LEU A 56 107.517 108.369 -33.396 1.00 0.00 H new ATOM 0 HD12 LEU A 56 108.674 108.289 -32.047 1.00 0.00 H new ATOM 0 HD13 LEU A 56 108.633 106.990 -33.262 1.00 0.00 H new ATOM 0 HD21 LEU A 56 105.630 106.885 -33.519 1.00 0.00 H new ATOM 0 HD22 LEU A 56 106.627 105.424 -33.330 1.00 0.00 H new ATOM 0 HD23 LEU A 56 105.270 105.724 -32.219 1.00 0.00 H new ATOM 875 N ILE A 57 109.435 104.362 -29.029 1.00 0.00 N ATOM 876 CA ILE A 57 109.585 103.676 -27.752 1.00 0.00 C ATOM 877 C ILE A 57 110.850 104.132 -26.989 1.00 0.00 C ATOM 878 O ILE A 57 110.822 104.341 -25.782 1.00 0.00 O ATOM 879 CB ILE A 57 109.636 102.165 -27.985 1.00 0.00 C ATOM 880 CG1 ILE A 57 108.390 101.669 -28.734 1.00 0.00 C ATOM 881 CG2 ILE A 57 109.885 101.412 -26.673 1.00 0.00 C ATOM 882 CD1 ILE A 57 107.386 100.902 -27.879 1.00 0.00 C ATOM 0 H ILE A 57 109.452 103.774 -29.863 1.00 0.00 H new ATOM 0 HA ILE A 57 108.723 103.932 -27.136 1.00 0.00 H new ATOM 0 HB ILE A 57 110.485 101.949 -28.633 1.00 0.00 H new ATOM 0 HG12 ILE A 57 107.886 102.527 -29.178 1.00 0.00 H new ATOM 0 HG13 ILE A 57 108.710 101.028 -29.555 1.00 0.00 H new ATOM 0 HG21 ILE A 57 109.916 100.340 -26.869 1.00 0.00 H new ATOM 0 HG22 ILE A 57 110.836 101.731 -26.245 1.00 0.00 H new ATOM 0 HG23 ILE A 57 109.080 101.629 -25.971 1.00 0.00 H new ATOM 0 HD11 ILE A 57 106.542 100.594 -28.497 1.00 0.00 H new ATOM 0 HD12 ILE A 57 107.867 100.020 -27.456 1.00 0.00 H new ATOM 0 HD13 ILE A 57 107.030 101.543 -27.072 1.00 0.00 H new ATOM 894 N LYS A 58 111.945 104.272 -27.760 1.00 0.00 N ATOM 895 CA LYS A 58 113.238 104.555 -27.152 1.00 0.00 C ATOM 896 C LYS A 58 113.328 105.996 -26.587 1.00 0.00 C ATOM 897 O LYS A 58 114.117 106.277 -25.692 1.00 0.00 O ATOM 898 CB LYS A 58 114.338 104.273 -28.181 1.00 0.00 C ATOM 899 CG LYS A 58 114.553 105.428 -29.155 1.00 0.00 C ATOM 900 CD LYS A 58 115.724 106.321 -28.743 1.00 0.00 C ATOM 901 CE LYS A 58 116.405 106.965 -29.951 1.00 0.00 C ATOM 902 NZ LYS A 58 115.619 108.055 -30.516 1.00 0.00 N ATOM 0 H LYS A 58 111.953 104.195 -28.777 1.00 0.00 H new ATOM 0 HA LYS A 58 113.371 103.900 -26.291 1.00 0.00 H new ATOM 0 HB2 LYS A 58 115.272 104.067 -27.659 1.00 0.00 H new ATOM 0 HB3 LYS A 58 114.081 103.375 -28.742 1.00 0.00 H new ATOM 0 HG2 LYS A 58 114.736 105.030 -30.153 1.00 0.00 H new ATOM 0 HG3 LYS A 58 113.644 106.027 -29.212 1.00 0.00 H new ATOM 0 HD2 LYS A 58 115.366 107.100 -28.070 1.00 0.00 H new ATOM 0 HD3 LYS A 58 116.453 105.730 -28.188 1.00 0.00 H new ATOM 0 HE2 LYS A 58 117.384 107.342 -29.655 1.00 0.00 H new ATOM 0 HE3 LYS A 58 116.574 106.207 -30.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 116.114 108.448 -31.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 114.688 107.696 -30.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 115.494 108.800 -29.801 1.00 0.00 H new ATOM 916 N LYS A 59 112.482 106.878 -27.158 1.00 0.00 N ATOM 917 CA LYS A 59 112.240 108.175 -26.557 1.00 0.00 C ATOM 918 C LYS A 59 111.355 108.043 -25.301 1.00 0.00 C ATOM 919 O LYS A 59 111.671 108.570 -24.241 1.00 0.00 O ATOM 920 CB LYS A 59 111.525 109.039 -27.595 1.00 0.00 C ATOM 921 CG LYS A 59 112.381 109.312 -28.831 1.00 0.00 C ATOM 922 CD LYS A 59 111.522 109.724 -30.025 1.00 0.00 C ATOM 923 CE LYS A 59 112.370 110.197 -31.206 1.00 0.00 C ATOM 924 NZ LYS A 59 111.622 110.212 -32.458 1.00 0.00 N ATOM 0 H LYS A 59 111.969 106.705 -28.022 1.00 0.00 H new ATOM 0 HA LYS A 59 113.186 108.624 -26.255 1.00 0.00 H new ATOM 0 HB2 LYS A 59 110.603 108.544 -27.900 1.00 0.00 H new ATOM 0 HB3 LYS A 59 111.242 109.987 -27.138 1.00 0.00 H new ATOM 0 HG2 LYS A 59 113.101 110.100 -28.610 1.00 0.00 H new ATOM 0 HG3 LYS A 59 112.953 108.419 -29.083 1.00 0.00 H new ATOM 0 HD2 LYS A 59 110.906 108.880 -30.336 1.00 0.00 H new ATOM 0 HD3 LYS A 59 110.842 110.521 -29.724 1.00 0.00 H new ATOM 0 HE2 LYS A 59 112.748 111.198 -31.000 1.00 0.00 H new ATOM 0 HE3 LYS A 59 113.237 109.544 -31.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 112.201 110.650 -33.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 111.384 109.237 -32.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 110.747 110.760 -32.333 1.00 0.00 H new ATOM 938 N GLY A 60 110.239 107.310 -25.488 1.00 0.00 N ATOM 939 CA GLY A 60 108.941 107.886 -25.241 1.00 0.00 C ATOM 940 C GLY A 60 108.646 108.916 -26.326 1.00 0.00 C ATOM 941 O GLY A 60 109.111 110.048 -26.285 1.00 0.00 O ATOM 0 H GLY A 60 110.228 106.340 -25.803 1.00 0.00 H new ATOM 0 HA2 GLY A 60 108.177 107.109 -25.241 1.00 0.00 H new ATOM 0 HA3 GLY A 60 108.918 108.356 -24.258 1.00 0.00 H new ATOM 945 N LEU A 61 107.847 108.434 -27.293 1.00 0.00 N ATOM 946 CA LEU A 61 106.461 108.160 -27.010 1.00 0.00 C ATOM 947 C LEU A 61 105.968 107.172 -28.059 1.00 0.00 C ATOM 948 O LEU A 61 105.588 107.529 -29.167 1.00 0.00 O ATOM 949 CB LEU A 61 105.692 109.469 -27.197 1.00 0.00 C ATOM 950 CG LEU A 61 106.085 110.297 -28.437 1.00 0.00 C ATOM 951 CD1 LEU A 61 104.965 111.259 -28.791 1.00 0.00 C ATOM 952 CD2 LEU A 61 107.380 111.084 -28.250 1.00 0.00 C ATOM 0 H LEU A 61 108.143 108.236 -28.249 1.00 0.00 H new ATOM 0 HA LEU A 61 106.326 107.763 -26.004 1.00 0.00 H new ATOM 0 HB2 LEU A 61 104.628 109.240 -27.257 1.00 0.00 H new ATOM 0 HB3 LEU A 61 105.836 110.085 -26.309 1.00 0.00 H new ATOM 0 HG LEU A 61 106.253 109.584 -29.244 1.00 0.00 H new ATOM 0 HD11 LEU A 61 105.249 111.841 -29.668 1.00 0.00 H new ATOM 0 HD12 LEU A 61 104.057 110.696 -29.007 1.00 0.00 H new ATOM 0 HD13 LEU A 61 104.784 111.931 -27.952 1.00 0.00 H new ATOM 0 HD21 LEU A 61 107.600 111.645 -29.159 1.00 0.00 H new ATOM 0 HD22 LEU A 61 107.268 111.776 -27.415 1.00 0.00 H new ATOM 0 HD23 LEU A 61 108.198 110.394 -28.043 1.00 0.00 H new ATOM 964 N VAL A 62 105.974 105.901 -27.638 1.00 0.00 N ATOM 965 CA VAL A 62 104.826 105.097 -27.294 1.00 0.00 C ATOM 966 C VAL A 62 105.250 104.128 -26.178 1.00 0.00 C ATOM 967 O VAL A 62 106.408 103.737 -26.089 1.00 0.00 O ATOM 968 CB VAL A 62 104.377 104.337 -28.536 1.00 0.00 C ATOM 969 CG1 VAL A 62 105.475 103.385 -29.001 1.00 0.00 C ATOM 970 CG2 VAL A 62 103.068 103.590 -28.294 1.00 0.00 C ATOM 0 H VAL A 62 106.847 105.385 -27.526 1.00 0.00 H new ATOM 0 HA VAL A 62 103.995 105.709 -26.943 1.00 0.00 H new ATOM 0 HB VAL A 62 104.192 105.064 -29.327 1.00 0.00 H new ATOM 0 HG11 VAL A 62 105.140 102.849 -29.889 1.00 0.00 H new ATOM 0 HG12 VAL A 62 106.374 103.954 -29.238 1.00 0.00 H new ATOM 0 HG13 VAL A 62 105.697 102.671 -28.208 1.00 0.00 H new ATOM 0 HG21 VAL A 62 102.779 103.060 -29.201 1.00 0.00 H new ATOM 0 HG22 VAL A 62 103.202 102.875 -27.483 1.00 0.00 H new ATOM 0 HG23 VAL A 62 102.287 104.302 -28.025 1.00 0.00 H new ATOM 980 N GLU A 63 104.264 103.765 -25.341 1.00 0.00 N ATOM 981 CA GLU A 63 104.492 102.666 -24.406 1.00 0.00 C ATOM 982 C GLU A 63 103.776 101.392 -24.892 1.00 0.00 C ATOM 983 O GLU A 63 102.571 101.361 -25.101 1.00 0.00 O ATOM 984 CB GLU A 63 103.967 103.038 -23.021 1.00 0.00 C ATOM 985 CG GLU A 63 104.951 103.921 -22.253 1.00 0.00 C ATOM 986 CD GLU A 63 104.223 104.657 -21.127 1.00 0.00 C ATOM 987 OE1 GLU A 63 103.133 105.173 -21.372 1.00 0.00 O ATOM 988 OE2 GLU A 63 104.754 104.707 -20.019 1.00 0.00 O ATOM 0 H GLU A 63 103.342 104.198 -25.295 1.00 0.00 H new ATOM 0 HA GLU A 63 105.564 102.478 -24.352 1.00 0.00 H new ATOM 0 HB2 GLU A 63 103.015 103.559 -23.122 1.00 0.00 H new ATOM 0 HB3 GLU A 63 103.774 102.129 -22.451 1.00 0.00 H new ATOM 0 HG2 GLU A 63 105.754 103.311 -21.840 1.00 0.00 H new ATOM 0 HG3 GLU A 63 105.412 104.640 -22.930 1.00 0.00 H new ATOM 995 N LYS A 64 104.599 100.338 -25.039 1.00 0.00 N ATOM 996 CA LYS A 64 104.062 99.068 -25.471 1.00 0.00 C ATOM 997 C LYS A 64 103.434 98.346 -24.272 1.00 0.00 C ATOM 998 O LYS A 64 104.092 98.014 -23.293 1.00 0.00 O ATOM 999 CB LYS A 64 105.191 98.238 -26.076 1.00 0.00 C ATOM 1000 CG LYS A 64 104.782 96.786 -26.325 1.00 0.00 C ATOM 1001 CD LYS A 64 105.679 96.104 -27.357 1.00 0.00 C ATOM 1002 CE LYS A 64 106.814 95.318 -26.700 1.00 0.00 C ATOM 1003 NZ LYS A 64 107.836 94.913 -27.657 1.00 0.00 N ATOM 0 H LYS A 64 105.604 100.352 -24.868 1.00 0.00 H new ATOM 0 HA LYS A 64 103.289 99.217 -26.225 1.00 0.00 H new ATOM 0 HB2 LYS A 64 105.506 98.690 -27.017 1.00 0.00 H new ATOM 0 HB3 LYS A 64 106.052 98.260 -25.408 1.00 0.00 H new ATOM 0 HG2 LYS A 64 104.824 96.232 -25.387 1.00 0.00 H new ATOM 0 HG3 LYS A 64 103.748 96.755 -26.668 1.00 0.00 H new ATOM 0 HD2 LYS A 64 105.079 95.431 -27.970 1.00 0.00 H new ATOM 0 HD3 LYS A 64 106.098 96.856 -28.026 1.00 0.00 H new ATOM 0 HE2 LYS A 64 107.271 95.928 -25.921 1.00 0.00 H new ATOM 0 HE3 LYS A 64 106.405 94.433 -26.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 108.583 94.384 -27.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 107.408 94.309 -28.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 108.247 95.757 -28.104 1.00 0.00 H new ATOM 1017 N SER A 65 102.114 98.133 -24.431 1.00 0.00 N ATOM 1018 CA SER A 65 101.332 97.491 -23.384 1.00 0.00 C ATOM 1019 C SER A 65 100.789 96.160 -23.909 1.00 0.00 C ATOM 1020 O SER A 65 99.864 96.124 -24.710 1.00 0.00 O ATOM 1021 CB SER A 65 100.123 98.384 -23.058 1.00 0.00 C ATOM 1022 OG SER A 65 99.183 97.843 -22.136 1.00 0.00 O ATOM 0 H SER A 65 101.584 98.394 -25.262 1.00 0.00 H new ATOM 0 HA SER A 65 101.957 97.334 -22.505 1.00 0.00 H new ATOM 0 HB2 SER A 65 100.491 99.330 -22.660 1.00 0.00 H new ATOM 0 HB3 SER A 65 99.602 98.611 -23.988 1.00 0.00 H new ATOM 0 HG SER A 65 98.372 97.574 -22.616 1.00 0.00 H new ATOM 1028 N GLY A 66 101.403 95.073 -23.403 1.00 0.00 N ATOM 1029 CA GLY A 66 101.965 94.098 -24.326 1.00 0.00 C ATOM 1030 C GLY A 66 101.046 92.883 -24.451 1.00 0.00 C ATOM 1031 O GLY A 66 101.183 91.893 -23.743 1.00 0.00 O ATOM 0 H GLY A 66 101.514 94.863 -22.411 1.00 0.00 H new ATOM 0 HA2 GLY A 66 102.107 94.556 -25.305 1.00 0.00 H new ATOM 0 HA3 GLY A 66 102.948 93.783 -23.976 1.00 0.00 H new ATOM 1035 N ASP A 67 100.106 93.028 -25.402 1.00 0.00 N ATOM 1036 CA ASP A 67 100.482 92.968 -26.806 1.00 0.00 C ATOM 1037 C ASP A 67 99.537 93.841 -27.643 1.00 0.00 C ATOM 1038 O ASP A 67 98.837 93.360 -28.524 1.00 0.00 O ATOM 1039 CB ASP A 67 100.421 91.518 -27.289 1.00 0.00 C ATOM 1040 CG ASP A 67 101.641 90.749 -26.778 1.00 0.00 C ATOM 1041 OD1 ASP A 67 102.757 91.240 -26.945 1.00 0.00 O ATOM 1042 OD2 ASP A 67 101.460 89.667 -26.220 1.00 0.00 O ATOM 0 H ASP A 67 99.114 93.182 -25.223 1.00 0.00 H new ATOM 0 HA ASP A 67 101.499 93.344 -26.922 1.00 0.00 H new ATOM 0 HB2 ASP A 67 99.506 91.045 -26.933 1.00 0.00 H new ATOM 0 HB3 ASP A 67 100.392 91.489 -28.378 1.00 0.00 H new ATOM 1047 N GLY A 68 99.562 95.144 -27.302 1.00 0.00 N ATOM 1048 CA GLY A 68 99.588 96.174 -28.319 1.00 0.00 C ATOM 1049 C GLY A 68 100.322 97.412 -27.806 1.00 0.00 C ATOM 1050 O GLY A 68 100.691 97.514 -26.643 1.00 0.00 O ATOM 0 H GLY A 68 99.564 95.489 -26.342 1.00 0.00 H new ATOM 0 HA2 GLY A 68 100.081 95.797 -29.215 1.00 0.00 H new ATOM 0 HA3 GLY A 68 98.570 96.439 -28.603 1.00 0.00 H new ATOM 1054 N LEU A 69 100.503 98.340 -28.764 1.00 0.00 N ATOM 1055 CA LEU A 69 101.286 99.532 -28.508 1.00 0.00 C ATOM 1056 C LEU A 69 100.321 100.687 -28.243 1.00 0.00 C ATOM 1057 O LEU A 69 99.299 100.824 -28.903 1.00 0.00 O ATOM 1058 CB LEU A 69 102.164 99.821 -29.731 1.00 0.00 C ATOM 1059 CG LEU A 69 103.063 98.638 -30.123 1.00 0.00 C ATOM 1060 CD1 LEU A 69 104.317 99.125 -30.839 1.00 0.00 C ATOM 1061 CD2 LEU A 69 103.454 97.741 -28.947 1.00 0.00 C ATOM 0 H LEU A 69 100.117 98.277 -29.706 1.00 0.00 H new ATOM 0 HA LEU A 69 101.934 99.400 -27.642 1.00 0.00 H new ATOM 0 HB2 LEU A 69 101.526 100.080 -30.576 1.00 0.00 H new ATOM 0 HB3 LEU A 69 102.788 100.691 -29.525 1.00 0.00 H new ATOM 0 HG LEU A 69 102.463 98.026 -30.797 1.00 0.00 H new ATOM 0 HD11 LEU A 69 104.938 98.270 -31.107 1.00 0.00 H new ATOM 0 HD12 LEU A 69 104.034 99.665 -31.742 1.00 0.00 H new ATOM 0 HD13 LEU A 69 104.877 99.789 -30.180 1.00 0.00 H new ATOM 0 HD21 LEU A 69 104.088 96.929 -29.304 1.00 0.00 H new ATOM 0 HD22 LEU A 69 103.998 98.328 -28.207 1.00 0.00 H new ATOM 0 HD23 LEU A 69 102.555 97.326 -28.491 1.00 0.00 H new ATOM 1073 N ILE A 70 100.696 101.502 -27.237 1.00 0.00 N ATOM 1074 CA ILE A 70 99.814 102.607 -26.914 1.00 0.00 C ATOM 1075 C ILE A 70 100.615 103.729 -26.278 1.00 0.00 C ATOM 1076 O ILE A 70 101.607 103.513 -25.599 1.00 0.00 O ATOM 1077 CB ILE A 70 98.750 102.162 -25.917 1.00 0.00 C ATOM 1078 CG1 ILE A 70 99.362 101.569 -24.653 1.00 0.00 C ATOM 1079 CG2 ILE A 70 97.811 101.149 -26.546 1.00 0.00 C ATOM 1080 CD1 ILE A 70 98.344 101.562 -23.514 1.00 0.00 C ATOM 0 H ILE A 70 101.544 101.418 -26.677 1.00 0.00 H new ATOM 0 HA ILE A 70 99.340 102.948 -27.834 1.00 0.00 H new ATOM 0 HB ILE A 70 98.189 103.054 -25.638 1.00 0.00 H new ATOM 0 HG12 ILE A 70 99.702 100.552 -24.850 1.00 0.00 H new ATOM 0 HG13 ILE A 70 100.238 102.148 -24.361 1.00 0.00 H new ATOM 0 HG21 ILE A 70 97.061 100.846 -25.816 1.00 0.00 H new ATOM 0 HG22 ILE A 70 97.318 101.597 -27.409 1.00 0.00 H new ATOM 0 HG23 ILE A 70 98.379 100.276 -26.866 1.00 0.00 H new ATOM 0 HD11 ILE A 70 98.800 101.135 -22.621 1.00 0.00 H new ATOM 0 HD12 ILE A 70 98.024 102.583 -23.305 1.00 0.00 H new ATOM 0 HD13 ILE A 70 97.480 100.963 -23.802 1.00 0.00 H new ATOM 1092 N ILE A 71 100.113 104.945 -26.524 1.00 0.00 N ATOM 1093 CA ILE A 71 101.014 106.071 -26.422 1.00 0.00 C ATOM 1094 C ILE A 71 100.921 106.695 -25.031 1.00 0.00 C ATOM 1095 O ILE A 71 99.954 106.533 -24.298 1.00 0.00 O ATOM 1096 CB ILE A 71 100.673 107.080 -27.508 1.00 0.00 C ATOM 1097 CG1 ILE A 71 99.260 107.631 -27.289 1.00 0.00 C ATOM 1098 CG2 ILE A 71 100.870 106.441 -28.887 1.00 0.00 C ATOM 1099 CD1 ILE A 71 98.825 108.645 -28.345 1.00 0.00 C ATOM 0 H ILE A 71 99.148 105.157 -26.779 1.00 0.00 H new ATOM 0 HA ILE A 71 102.042 105.739 -26.565 1.00 0.00 H new ATOM 0 HB ILE A 71 101.348 107.934 -27.457 1.00 0.00 H new ATOM 0 HG12 ILE A 71 98.553 106.801 -27.282 1.00 0.00 H new ATOM 0 HG13 ILE A 71 99.211 108.100 -26.306 1.00 0.00 H new ATOM 0 HG21 ILE A 71 100.625 107.167 -29.663 1.00 0.00 H new ATOM 0 HG22 ILE A 71 101.908 106.128 -28.998 1.00 0.00 H new ATOM 0 HG23 ILE A 71 100.217 105.573 -28.983 1.00 0.00 H new ATOM 0 HD11 ILE A 71 97.815 108.990 -28.124 1.00 0.00 H new ATOM 0 HD12 ILE A 71 99.508 109.494 -28.337 1.00 0.00 H new ATOM 0 HD13 ILE A 71 98.841 108.175 -29.329 1.00 0.00 H new ATOM 1111 N THR A 72 102.012 107.419 -24.742 1.00 0.00 N ATOM 1112 CA THR A 72 102.128 108.103 -23.470 1.00 0.00 C ATOM 1113 C THR A 72 101.281 109.379 -23.502 1.00 0.00 C ATOM 1114 O THR A 72 100.684 109.739 -24.510 1.00 0.00 O ATOM 1115 CB THR A 72 103.594 108.497 -23.242 1.00 0.00 C ATOM 1116 OG1 THR A 72 103.936 109.631 -24.008 1.00 0.00 O ATOM 1117 CG2 THR A 72 104.592 107.368 -23.530 1.00 0.00 C ATOM 0 H THR A 72 102.808 107.538 -25.368 1.00 0.00 H new ATOM 0 HA THR A 72 101.785 107.445 -22.671 1.00 0.00 H new ATOM 0 HB THR A 72 103.669 108.725 -22.179 1.00 0.00 H new ATOM 0 HG1 THR A 72 104.888 109.594 -24.240 1.00 0.00 H new ATOM 0 HG21 THR A 72 105.606 107.723 -23.346 1.00 0.00 H new ATOM 0 HG22 THR A 72 104.381 106.520 -22.878 1.00 0.00 H new ATOM 0 HG23 THR A 72 104.500 107.057 -24.571 1.00 0.00 H new ATOM 1125 N GLY A 73 101.274 110.036 -22.328 1.00 0.00 N ATOM 1126 CA GLY A 73 100.820 111.420 -22.307 1.00 0.00 C ATOM 1127 C GLY A 73 101.546 112.323 -23.328 1.00 0.00 C ATOM 1128 O GLY A 73 100.931 113.189 -23.938 1.00 0.00 O ATOM 0 H GLY A 73 101.563 109.648 -21.430 1.00 0.00 H new ATOM 0 HA2 GLY A 73 99.749 111.446 -22.508 1.00 0.00 H new ATOM 0 HA3 GLY A 73 100.966 111.827 -21.306 1.00 0.00 H new ATOM 1132 N GLU A 74 102.870 112.089 -23.490 1.00 0.00 N ATOM 1133 CA GLU A 74 103.621 112.979 -24.368 1.00 0.00 C ATOM 1134 C GLU A 74 103.024 113.017 -25.786 1.00 0.00 C ATOM 1135 O GLU A 74 102.766 114.080 -26.336 1.00 0.00 O ATOM 1136 CB GLU A 74 105.094 112.568 -24.437 1.00 0.00 C ATOM 1137 CG GLU A 74 105.723 112.448 -23.054 1.00 0.00 C ATOM 1138 CD GLU A 74 107.169 111.962 -23.175 1.00 0.00 C ATOM 1139 OE1 GLU A 74 107.886 112.461 -24.042 1.00 0.00 O ATOM 1140 OE2 GLU A 74 107.562 111.090 -22.402 1.00 0.00 O ATOM 0 H GLU A 74 103.402 111.338 -23.050 1.00 0.00 H new ATOM 0 HA GLU A 74 103.551 113.980 -23.941 1.00 0.00 H new ATOM 0 HB2 GLU A 74 105.179 111.614 -24.957 1.00 0.00 H new ATOM 0 HB3 GLU A 74 105.647 113.302 -25.024 1.00 0.00 H new ATOM 0 HG2 GLU A 74 105.697 113.414 -22.549 1.00 0.00 H new ATOM 0 HG3 GLU A 74 105.147 111.753 -22.443 1.00 0.00 H new ATOM 1147 N ALA A 75 102.796 111.802 -26.328 1.00 0.00 N ATOM 1148 CA ALA A 75 102.086 111.720 -27.598 1.00 0.00 C ATOM 1149 C ALA A 75 100.706 112.389 -27.509 1.00 0.00 C ATOM 1150 O ALA A 75 100.347 113.196 -28.353 1.00 0.00 O ATOM 1151 CB ALA A 75 101.900 110.251 -27.997 1.00 0.00 C ATOM 0 H ALA A 75 103.081 110.911 -25.922 1.00 0.00 H new ATOM 0 HA ALA A 75 102.682 112.242 -28.347 1.00 0.00 H new ATOM 0 HB1 ALA A 75 101.369 110.197 -28.947 1.00 0.00 H new ATOM 0 HB2 ALA A 75 102.875 109.775 -28.099 1.00 0.00 H new ATOM 0 HB3 ALA A 75 101.324 109.736 -27.229 1.00 0.00 H new ATOM 1157 N GLN A 76 99.973 112.036 -26.439 1.00 0.00 N ATOM 1158 CA GLN A 76 98.585 112.466 -26.361 1.00 0.00 C ATOM 1159 C GLN A 76 98.420 114.001 -26.517 1.00 0.00 C ATOM 1160 O GLN A 76 97.454 114.470 -27.104 1.00 0.00 O ATOM 1161 CB GLN A 76 98.027 112.015 -25.011 1.00 0.00 C ATOM 1162 CG GLN A 76 97.537 110.567 -25.051 1.00 0.00 C ATOM 1163 CD GLN A 76 96.574 110.313 -23.889 1.00 0.00 C ATOM 1164 OE1 GLN A 76 96.022 111.230 -23.294 1.00 0.00 O ATOM 1165 NE2 GLN A 76 96.416 109.006 -23.611 1.00 0.00 N ATOM 0 H GLN A 76 100.308 111.479 -25.653 1.00 0.00 H new ATOM 0 HA GLN A 76 98.038 112.014 -27.188 1.00 0.00 H new ATOM 0 HB2 GLN A 76 98.798 112.116 -24.247 1.00 0.00 H new ATOM 0 HB3 GLN A 76 97.204 112.669 -24.722 1.00 0.00 H new ATOM 0 HG2 GLN A 76 97.037 110.369 -25.999 1.00 0.00 H new ATOM 0 HG3 GLN A 76 98.385 109.885 -24.988 1.00 0.00 H new ATOM 0 HE21 GLN A 76 96.915 108.304 -24.158 1.00 0.00 H new ATOM 0 HE22 GLN A 76 95.797 108.717 -22.854 1.00 0.00 H new ATOM 1174 N ASP A 77 99.402 114.745 -25.968 1.00 0.00 N ATOM 1175 CA ASP A 77 99.408 116.183 -26.176 1.00 0.00 C ATOM 1176 C ASP A 77 99.675 116.537 -27.650 1.00 0.00 C ATOM 1177 O ASP A 77 99.008 117.386 -28.231 1.00 0.00 O ATOM 1178 CB ASP A 77 100.482 116.814 -25.293 1.00 0.00 C ATOM 1179 CG ASP A 77 100.147 118.284 -25.029 1.00 0.00 C ATOM 1180 OD1 ASP A 77 98.990 118.577 -24.732 1.00 0.00 O ATOM 1181 OD2 ASP A 77 101.046 119.117 -25.124 1.00 0.00 O ATOM 0 H ASP A 77 100.167 114.380 -25.401 1.00 0.00 H new ATOM 0 HA ASP A 77 98.425 116.573 -25.910 1.00 0.00 H new ATOM 0 HB2 ASP A 77 100.552 116.273 -24.349 1.00 0.00 H new ATOM 0 HB3 ASP A 77 101.455 116.736 -25.778 1.00 0.00 H new ATOM 1186 N ILE A 78 100.684 115.841 -28.216 1.00 0.00 N ATOM 1187 CA ILE A 78 101.072 116.142 -29.580 1.00 0.00 C ATOM 1188 C ILE A 78 99.924 115.858 -30.571 1.00 0.00 C ATOM 1189 O ILE A 78 99.620 116.669 -31.435 1.00 0.00 O ATOM 1190 CB ILE A 78 102.293 115.274 -29.916 1.00 0.00 C ATOM 1191 CG1 ILE A 78 103.525 115.618 -29.065 1.00 0.00 C ATOM 1192 CG2 ILE A 78 102.639 115.312 -31.408 1.00 0.00 C ATOM 1193 CD1 ILE A 78 103.528 117.037 -28.487 1.00 0.00 C ATOM 0 H ILE A 78 101.216 115.100 -27.760 1.00 0.00 H new ATOM 0 HA ILE A 78 101.312 117.202 -29.668 1.00 0.00 H new ATOM 0 HB ILE A 78 102.002 114.254 -29.664 1.00 0.00 H new ATOM 0 HG12 ILE A 78 103.592 114.905 -28.243 1.00 0.00 H new ATOM 0 HG13 ILE A 78 104.419 115.487 -29.675 1.00 0.00 H new ATOM 0 HG21 ILE A 78 103.509 114.683 -31.596 1.00 0.00 H new ATOM 0 HG22 ILE A 78 101.793 114.943 -31.987 1.00 0.00 H new ATOM 0 HG23 ILE A 78 102.862 116.337 -31.704 1.00 0.00 H new ATOM 0 HD11 ILE A 78 104.435 117.189 -27.902 1.00 0.00 H new ATOM 0 HD12 ILE A 78 103.495 117.761 -29.301 1.00 0.00 H new ATOM 0 HD13 ILE A 78 102.656 117.171 -27.847 1.00 0.00 H new ATOM 1205 N ILE A 79 99.322 114.667 -30.396 1.00 0.00 N ATOM 1206 CA ILE A 79 98.314 114.211 -31.335 1.00 0.00 C ATOM 1207 C ILE A 79 97.063 115.100 -31.310 1.00 0.00 C ATOM 1208 O ILE A 79 96.534 115.475 -32.348 1.00 0.00 O ATOM 1209 CB ILE A 79 97.876 112.798 -30.955 1.00 0.00 C ATOM 1210 CG1 ILE A 79 99.038 111.823 -30.744 1.00 0.00 C ATOM 1211 CG2 ILE A 79 96.878 112.257 -31.976 1.00 0.00 C ATOM 1212 CD1 ILE A 79 100.292 112.155 -31.554 1.00 0.00 C ATOM 0 H ILE A 79 99.518 114.025 -29.628 1.00 0.00 H new ATOM 0 HA ILE A 79 98.758 114.246 -32.330 1.00 0.00 H new ATOM 0 HB ILE A 79 97.388 112.880 -29.984 1.00 0.00 H new ATOM 0 HG12 ILE A 79 99.297 111.808 -29.685 1.00 0.00 H new ATOM 0 HG13 ILE A 79 98.706 110.818 -31.005 1.00 0.00 H new ATOM 0 HG21 ILE A 79 96.576 111.249 -31.691 1.00 0.00 H new ATOM 0 HG22 ILE A 79 96.001 112.904 -32.006 1.00 0.00 H new ATOM 0 HG23 ILE A 79 97.343 112.231 -32.961 1.00 0.00 H new ATOM 0 HD11 ILE A 79 101.066 111.416 -31.346 1.00 0.00 H new ATOM 0 HD12 ILE A 79 100.053 112.141 -32.617 1.00 0.00 H new ATOM 0 HD13 ILE A 79 100.653 113.146 -31.277 1.00 0.00 H new ATOM 1224 N SER A 80 96.609 115.401 -30.078 1.00 0.00 N ATOM 1225 CA SER A 80 95.406 116.215 -29.982 1.00 0.00 C ATOM 1226 C SER A 80 95.583 117.578 -30.678 1.00 0.00 C ATOM 1227 O SER A 80 94.736 118.009 -31.452 1.00 0.00 O ATOM 1228 CB SER A 80 95.076 116.417 -28.496 1.00 0.00 C ATOM 1229 OG SER A 80 95.178 115.253 -27.684 1.00 0.00 O ATOM 0 H SER A 80 97.031 115.111 -29.196 1.00 0.00 H new ATOM 0 HA SER A 80 94.589 115.701 -30.488 1.00 0.00 H new ATOM 0 HB2 SER A 80 95.743 117.179 -28.094 1.00 0.00 H new ATOM 0 HB3 SER A 80 94.061 116.807 -28.416 1.00 0.00 H new ATOM 0 HG SER A 80 96.052 115.239 -27.241 1.00 0.00 H new ATOM 1235 N ASN A 81 96.727 118.219 -30.373 1.00 0.00 N ATOM 1236 CA ASN A 81 96.960 119.503 -31.018 1.00 0.00 C ATOM 1237 C ASN A 81 97.191 119.336 -32.533 1.00 0.00 C ATOM 1238 O ASN A 81 96.628 120.064 -33.341 1.00 0.00 O ATOM 1239 CB ASN A 81 98.174 120.193 -30.382 1.00 0.00 C ATOM 1240 CG ASN A 81 97.938 121.704 -30.307 1.00 0.00 C ATOM 1241 OD1 ASN A 81 98.306 122.461 -31.198 1.00 0.00 O ATOM 1242 ND2 ASN A 81 97.303 122.085 -29.184 1.00 0.00 N ATOM 0 H ASN A 81 97.450 117.892 -29.732 1.00 0.00 H new ATOM 0 HA ASN A 81 96.072 120.118 -30.876 1.00 0.00 H new ATOM 0 HB2 ASN A 81 98.347 119.794 -29.383 1.00 0.00 H new ATOM 0 HB3 ASN A 81 99.069 119.985 -30.968 1.00 0.00 H new ATOM 0 HD21 ASN A 81 97.094 123.071 -29.026 1.00 0.00 H new ATOM 0 HD22 ASN A 81 97.030 121.388 -28.491 1.00 0.00 H new ATOM 1249 N ALA A 82 98.037 118.341 -32.870 1.00 0.00 N ATOM 1250 CA ALA A 82 98.451 118.220 -34.259 1.00 0.00 C ATOM 1251 C ALA A 82 97.284 117.845 -35.183 1.00 0.00 C ATOM 1252 O ALA A 82 97.096 118.431 -36.239 1.00 0.00 O ATOM 1253 CB ALA A 82 99.546 117.172 -34.397 1.00 0.00 C ATOM 0 H ALA A 82 98.423 117.649 -32.228 1.00 0.00 H new ATOM 0 HA ALA A 82 98.826 119.198 -34.561 1.00 0.00 H new ATOM 0 HB1 ALA A 82 99.845 117.093 -35.442 1.00 0.00 H new ATOM 0 HB2 ALA A 82 100.406 117.463 -33.795 1.00 0.00 H new ATOM 0 HB3 ALA A 82 99.172 116.208 -34.053 1.00 0.00 H new ATOM 1259 N ALA A 83 96.527 116.827 -34.739 1.00 0.00 N ATOM 1260 CA ALA A 83 95.360 116.421 -35.507 1.00 0.00 C ATOM 1261 C ALA A 83 94.391 117.591 -35.769 1.00 0.00 C ATOM 1262 O ALA A 83 93.808 117.698 -36.840 1.00 0.00 O ATOM 1263 CB ALA A 83 94.639 115.284 -34.785 1.00 0.00 C ATOM 0 H ALA A 83 96.699 116.295 -33.886 1.00 0.00 H new ATOM 0 HA ALA A 83 95.710 116.077 -36.480 1.00 0.00 H new ATOM 0 HB1 ALA A 83 93.765 114.982 -35.363 1.00 0.00 H new ATOM 0 HB2 ALA A 83 95.314 114.435 -34.678 1.00 0.00 H new ATOM 0 HB3 ALA A 83 94.322 115.622 -33.798 1.00 0.00 H new ATOM 1269 N THR A 84 94.246 118.446 -34.736 1.00 0.00 N ATOM 1270 CA THR A 84 93.545 119.698 -34.973 1.00 0.00 C ATOM 1271 C THR A 84 94.264 120.579 -36.022 1.00 0.00 C ATOM 1272 O THR A 84 93.621 121.165 -36.884 1.00 0.00 O ATOM 1273 CB THR A 84 93.427 120.460 -33.645 1.00 0.00 C ATOM 1274 OG1 THR A 84 92.929 119.640 -32.605 1.00 0.00 O ATOM 1275 CG2 THR A 84 92.641 121.770 -33.800 1.00 0.00 C ATOM 0 H THR A 84 94.587 118.296 -33.786 1.00 0.00 H new ATOM 0 HA THR A 84 92.557 119.465 -35.370 1.00 0.00 H new ATOM 0 HB THR A 84 94.436 120.746 -33.349 1.00 0.00 H new ATOM 0 HG1 THR A 84 93.677 119.204 -32.145 1.00 0.00 H new ATOM 0 HG21 THR A 84 92.583 122.275 -32.836 1.00 0.00 H new ATOM 0 HG22 THR A 84 93.147 122.415 -34.518 1.00 0.00 H new ATOM 0 HG23 THR A 84 91.634 121.550 -34.156 1.00 0.00 H new ATOM 1283 N LEU A 85 95.608 120.651 -35.915 1.00 0.00 N ATOM 1284 CA LEU A 85 96.350 121.441 -36.888 1.00 0.00 C ATOM 1285 C LEU A 85 96.165 120.950 -38.340 1.00 0.00 C ATOM 1286 O LEU A 85 96.096 121.742 -39.271 1.00 0.00 O ATOM 1287 CB LEU A 85 97.835 121.423 -36.534 1.00 0.00 C ATOM 1288 CG LEU A 85 98.141 122.237 -35.283 1.00 0.00 C ATOM 1289 CD1 LEU A 85 99.627 122.160 -34.932 1.00 0.00 C ATOM 1290 CD2 LEU A 85 97.691 123.685 -35.466 1.00 0.00 C ATOM 0 H LEU A 85 96.169 120.192 -35.197 1.00 0.00 H new ATOM 0 HA LEU A 85 95.951 122.454 -36.841 1.00 0.00 H new ATOM 0 HB2 LEU A 85 98.158 120.393 -36.382 1.00 0.00 H new ATOM 0 HB3 LEU A 85 98.411 121.817 -37.371 1.00 0.00 H new ATOM 0 HG LEU A 85 97.583 121.811 -34.449 1.00 0.00 H new ATOM 0 HD11 LEU A 85 99.820 122.749 -34.035 1.00 0.00 H new ATOM 0 HD12 LEU A 85 99.905 121.122 -34.751 1.00 0.00 H new ATOM 0 HD13 LEU A 85 100.217 122.554 -35.759 1.00 0.00 H new ATOM 0 HD21 LEU A 85 97.917 124.253 -34.563 1.00 0.00 H new ATOM 0 HD22 LEU A 85 98.217 124.125 -36.313 1.00 0.00 H new ATOM 0 HD23 LEU A 85 96.617 123.712 -35.652 1.00 0.00 H new ATOM 1302 N TYR A 86 96.111 119.613 -38.485 1.00 0.00 N ATOM 1303 CA TYR A 86 95.573 119.037 -39.711 1.00 0.00 C ATOM 1304 C TYR A 86 94.127 119.517 -39.949 1.00 0.00 C ATOM 1305 O TYR A 86 93.782 119.982 -41.029 1.00 0.00 O ATOM 1306 CB TYR A 86 95.855 117.503 -39.719 1.00 0.00 C ATOM 1307 CG TYR A 86 94.708 116.510 -39.853 1.00 0.00 C ATOM 1308 CD1 TYR A 86 93.674 116.672 -40.813 1.00 0.00 C ATOM 1309 CD2 TYR A 86 94.688 115.343 -39.041 1.00 0.00 C ATOM 1310 CE1 TYR A 86 92.654 115.702 -40.964 1.00 0.00 C ATOM 1311 CE2 TYR A 86 93.668 114.370 -39.182 1.00 0.00 C ATOM 1312 CZ TYR A 86 92.646 114.552 -40.142 1.00 0.00 C ATOM 1313 OH TYR A 86 91.647 113.610 -40.277 1.00 0.00 O ATOM 0 H TYR A 86 96.425 118.938 -37.788 1.00 0.00 H new ATOM 0 HA TYR A 86 96.081 119.400 -40.604 1.00 0.00 H new ATOM 0 HB2 TYR A 86 96.548 117.307 -40.537 1.00 0.00 H new ATOM 0 HB3 TYR A 86 96.379 117.267 -38.793 1.00 0.00 H new ATOM 0 HD1 TYR A 86 93.666 117.552 -41.440 1.00 0.00 H new ATOM 0 HD2 TYR A 86 95.464 115.196 -38.304 1.00 0.00 H new ATOM 0 HE1 TYR A 86 91.882 115.841 -41.707 1.00 0.00 H new ATOM 0 HE2 TYR A 86 93.671 113.490 -38.556 1.00 0.00 H new ATOM 0 HH TYR A 86 91.794 112.883 -39.636 1.00 0.00 H new ATOM 1323 N ALA A 87 93.316 119.376 -38.888 1.00 0.00 N ATOM 1324 CA ALA A 87 91.890 119.592 -39.067 1.00 0.00 C ATOM 1325 C ALA A 87 91.568 120.981 -39.659 1.00 0.00 C ATOM 1326 O ALA A 87 90.675 121.121 -40.486 1.00 0.00 O ATOM 1327 CB ALA A 87 91.187 119.414 -37.722 1.00 0.00 C ATOM 0 H ALA A 87 93.613 119.125 -37.945 1.00 0.00 H new ATOM 0 HA ALA A 87 91.528 118.857 -39.785 1.00 0.00 H new ATOM 0 HB1 ALA A 87 90.116 119.574 -37.847 1.00 0.00 H new ATOM 0 HB2 ALA A 87 91.362 118.404 -37.351 1.00 0.00 H new ATOM 0 HB3 ALA A 87 91.581 120.136 -37.007 1.00 0.00 H new ATOM 1333 N GLN A 88 92.334 121.990 -39.195 1.00 0.00 N ATOM 1334 CA GLN A 88 92.124 123.327 -39.740 1.00 0.00 C ATOM 1335 C GLN A 88 92.287 123.373 -41.275 1.00 0.00 C ATOM 1336 O GLN A 88 91.502 124.003 -41.974 1.00 0.00 O ATOM 1337 CB GLN A 88 93.039 124.351 -39.063 1.00 0.00 C ATOM 1338 CG GLN A 88 94.474 123.853 -38.954 1.00 0.00 C ATOM 1339 CD GLN A 88 95.410 124.959 -38.464 1.00 0.00 C ATOM 1340 OE1 GLN A 88 94.985 125.992 -37.961 1.00 0.00 O ATOM 1341 NE2 GLN A 88 96.711 124.663 -38.647 1.00 0.00 N ATOM 0 H GLN A 88 93.061 121.906 -38.485 1.00 0.00 H new ATOM 0 HA GLN A 88 91.090 123.593 -39.522 1.00 0.00 H new ATOM 0 HB2 GLN A 88 93.021 125.283 -39.629 1.00 0.00 H new ATOM 0 HB3 GLN A 88 92.657 124.575 -38.067 1.00 0.00 H new ATOM 0 HG2 GLN A 88 94.517 123.007 -38.268 1.00 0.00 H new ATOM 0 HG3 GLN A 88 94.811 123.492 -39.926 1.00 0.00 H new ATOM 0 HE21 GLN A 88 96.977 123.776 -39.075 1.00 0.00 H new ATOM 0 HE22 GLN A 88 97.430 125.325 -38.357 1.00 0.00 H new ATOM 1350 N GLU A 89 93.341 122.679 -41.753 1.00 0.00 N ATOM 1351 CA GLU A 89 94.024 123.083 -42.972 1.00 0.00 C ATOM 1352 C GLU A 89 93.885 121.989 -44.038 1.00 0.00 C ATOM 1353 O GLU A 89 93.391 122.213 -45.136 1.00 0.00 O ATOM 1354 CB GLU A 89 95.502 123.292 -42.652 1.00 0.00 C ATOM 1355 CG GLU A 89 95.751 124.650 -41.995 1.00 0.00 C ATOM 1356 CD GLU A 89 96.347 125.645 -42.996 1.00 0.00 C ATOM 1357 OE1 GLU A 89 95.768 125.816 -44.067 1.00 0.00 O ATOM 1358 OE2 GLU A 89 97.382 126.235 -42.693 1.00 0.00 O ATOM 0 H GLU A 89 93.725 121.845 -41.309 1.00 0.00 H new ATOM 0 HA GLU A 89 93.584 124.005 -43.353 1.00 0.00 H new ATOM 0 HB2 GLU A 89 95.847 122.498 -41.989 1.00 0.00 H new ATOM 0 HB3 GLU A 89 96.087 123.218 -43.569 1.00 0.00 H new ATOM 0 HG2 GLU A 89 94.815 125.044 -41.600 1.00 0.00 H new ATOM 0 HG3 GLU A 89 96.428 124.530 -41.150 1.00 0.00 H new ATOM 1365 N ASN A 90 94.360 120.797 -43.632 1.00 0.00 N ATOM 1366 CA ASN A 90 94.328 119.660 -44.527 1.00 0.00 C ATOM 1367 C ASN A 90 92.868 119.296 -44.845 1.00 0.00 C ATOM 1368 O ASN A 90 92.426 119.352 -45.986 1.00 0.00 O ATOM 1369 CB ASN A 90 95.117 118.530 -43.849 1.00 0.00 C ATOM 1370 CG ASN A 90 94.781 117.130 -44.378 1.00 0.00 C ATOM 1371 OD1 ASN A 90 94.318 116.940 -45.496 1.00 0.00 O ATOM 1372 ND2 ASN A 90 95.061 116.179 -43.470 1.00 0.00 N ATOM 0 H ASN A 90 94.758 120.613 -42.711 1.00 0.00 H new ATOM 0 HA ASN A 90 94.795 119.871 -45.489 1.00 0.00 H new ATOM 0 HB2 ASN A 90 96.183 118.713 -43.985 1.00 0.00 H new ATOM 0 HB3 ASN A 90 94.923 118.558 -42.777 1.00 0.00 H new ATOM 0 HD21 ASN A 90 94.888 115.198 -43.689 1.00 0.00 H new ATOM 0 HD22 ASN A 90 95.446 116.439 -42.562 1.00 0.00 H new ATOM 1379 N ALA A 91 92.158 118.923 -43.762 1.00 0.00 N ATOM 1380 CA ALA A 91 90.713 119.107 -43.758 1.00 0.00 C ATOM 1381 C ALA A 91 90.064 118.388 -44.956 1.00 0.00 C ATOM 1382 O ALA A 91 89.788 118.986 -45.988 1.00 0.00 O ATOM 1383 CB ALA A 91 90.373 120.604 -43.760 1.00 0.00 C ATOM 0 H ALA A 91 92.551 118.510 -42.916 1.00 0.00 H new ATOM 0 HA ALA A 91 90.307 118.663 -42.849 1.00 0.00 H new ATOM 0 HB1 ALA A 91 89.290 120.731 -43.757 1.00 0.00 H new ATOM 0 HB2 ALA A 91 90.796 121.074 -42.872 1.00 0.00 H new ATOM 0 HB3 ALA A 91 90.791 121.071 -44.652 1.00 0.00 H new ATOM 1389 N PRO A 92 89.838 117.066 -44.759 1.00 0.00 N ATOM 1390 CA PRO A 92 88.918 116.303 -45.588 1.00 0.00 C ATOM 1391 C PRO A 92 87.458 116.604 -45.224 1.00 0.00 C ATOM 1392 O PRO A 92 87.118 116.824 -44.068 1.00 0.00 O ATOM 1393 CB PRO A 92 89.245 114.832 -45.292 1.00 0.00 C ATOM 1394 CG PRO A 92 90.228 114.814 -44.115 1.00 0.00 C ATOM 1395 CD PRO A 92 90.552 116.271 -43.776 1.00 0.00 C ATOM 0 HA PRO A 92 89.030 116.553 -46.643 1.00 0.00 H new ATOM 0 HB2 PRO A 92 88.339 114.279 -45.045 1.00 0.00 H new ATOM 0 HB3 PRO A 92 89.683 114.352 -46.167 1.00 0.00 H new ATOM 0 HG2 PRO A 92 89.790 114.307 -43.255 1.00 0.00 H new ATOM 0 HG3 PRO A 92 91.135 114.269 -44.379 1.00 0.00 H new ATOM 0 HD2 PRO A 92 90.232 116.519 -42.764 1.00 0.00 H new ATOM 0 HD3 PRO A 92 91.625 116.456 -43.826 1.00 0.00 H new ATOM 1403 N GLU A 93 86.623 116.596 -46.281 1.00 0.00 N ATOM 1404 CA GLU A 93 86.386 117.853 -46.965 1.00 0.00 C ATOM 1405 C GLU A 93 85.647 118.819 -46.028 1.00 0.00 C ATOM 1406 O GLU A 93 84.490 118.627 -45.673 1.00 0.00 O ATOM 1407 CB GLU A 93 85.582 117.615 -48.241 1.00 0.00 C ATOM 1408 CG GLU A 93 85.207 118.919 -48.945 1.00 0.00 C ATOM 1409 CD GLU A 93 84.250 118.625 -50.101 1.00 0.00 C ATOM 1410 OE1 GLU A 93 84.483 117.658 -50.824 1.00 0.00 O ATOM 1411 OE2 GLU A 93 83.281 119.366 -50.265 1.00 0.00 O ATOM 0 H GLU A 93 86.135 115.781 -46.652 1.00 0.00 H new ATOM 0 HA GLU A 93 87.341 118.298 -47.243 1.00 0.00 H new ATOM 0 HB2 GLU A 93 86.162 116.992 -48.922 1.00 0.00 H new ATOM 0 HB3 GLU A 93 84.674 117.063 -47.998 1.00 0.00 H new ATOM 0 HG2 GLU A 93 84.739 119.603 -48.238 1.00 0.00 H new ATOM 0 HG3 GLU A 93 86.104 119.412 -49.319 1.00 0.00 H new ATOM 1418 N LEU A 94 86.409 119.864 -45.662 1.00 0.00 N ATOM 1419 CA LEU A 94 86.200 120.578 -44.413 1.00 0.00 C ATOM 1420 C LEU A 94 86.237 122.097 -44.665 1.00 0.00 C ATOM 1421 O LEU A 94 85.339 122.837 -44.281 1.00 0.00 O ATOM 1422 CB LEU A 94 87.292 120.172 -43.412 1.00 0.00 C ATOM 1423 CG LEU A 94 86.754 119.301 -42.280 1.00 0.00 C ATOM 1424 CD1 LEU A 94 87.916 118.747 -41.460 1.00 0.00 C ATOM 1425 CD2 LEU A 94 85.782 120.081 -41.393 1.00 0.00 C ATOM 0 H LEU A 94 87.178 120.227 -46.225 1.00 0.00 H new ATOM 0 HA LEU A 94 85.224 120.322 -44.001 1.00 0.00 H new ATOM 0 HB2 LEU A 94 88.080 119.633 -43.938 1.00 0.00 H new ATOM 0 HB3 LEU A 94 87.746 121.069 -42.991 1.00 0.00 H new ATOM 0 HG LEU A 94 86.200 118.469 -42.715 1.00 0.00 H new ATOM 0 HD11 LEU A 94 87.528 118.126 -40.653 1.00 0.00 H new ATOM 0 HD12 LEU A 94 88.561 118.147 -42.102 1.00 0.00 H new ATOM 0 HD13 LEU A 94 88.490 119.572 -41.039 1.00 0.00 H new ATOM 0 HD21 LEU A 94 85.416 119.433 -40.596 1.00 0.00 H new ATOM 0 HD22 LEU A 94 86.295 120.938 -40.957 1.00 0.00 H new ATOM 0 HD23 LEU A 94 84.941 120.428 -41.993 1.00 0.00 H new ATOM 1437 N LEU A 95 87.336 122.497 -45.334 1.00 0.00 N ATOM 1438 CA LEU A 95 87.500 123.907 -45.655 1.00 0.00 C ATOM 1439 C LEU A 95 86.366 124.369 -46.582 1.00 0.00 C ATOM 1440 O LEU A 95 85.604 125.275 -46.267 1.00 0.00 O ATOM 1441 CB LEU A 95 88.850 124.160 -46.337 1.00 0.00 C ATOM 1442 CG LEU A 95 90.029 123.467 -45.642 1.00 0.00 C ATOM 1443 CD1 LEU A 95 90.508 122.267 -46.460 1.00 0.00 C ATOM 1444 CD2 LEU A 95 91.179 124.445 -45.394 1.00 0.00 C ATOM 0 H LEU A 95 88.089 121.884 -45.647 1.00 0.00 H new ATOM 0 HA LEU A 95 87.467 124.473 -44.724 1.00 0.00 H new ATOM 0 HB2 LEU A 95 88.796 123.817 -47.370 1.00 0.00 H new ATOM 0 HB3 LEU A 95 89.037 125.233 -46.367 1.00 0.00 H new ATOM 0 HG LEU A 95 89.681 123.108 -44.673 1.00 0.00 H new ATOM 0 HD11 LEU A 95 91.345 121.790 -45.950 1.00 0.00 H new ATOM 0 HD12 LEU A 95 89.693 121.552 -46.568 1.00 0.00 H new ATOM 0 HD13 LEU A 95 90.829 122.603 -47.446 1.00 0.00 H new ATOM 0 HD21 LEU A 95 91.999 123.924 -44.900 1.00 0.00 H new ATOM 0 HD22 LEU A 95 91.525 124.848 -46.346 1.00 0.00 H new ATOM 0 HD23 LEU A 95 90.833 125.260 -44.759 1.00 0.00 H new ATOM 1456 N LYS A 96 86.311 123.681 -47.740 1.00 0.00 N ATOM 1457 CA LYS A 96 86.591 124.376 -48.982 1.00 0.00 C ATOM 1458 C LYS A 96 85.375 125.208 -49.395 1.00 0.00 C ATOM 1459 O LYS A 96 84.479 124.659 -50.034 1.00 0.00 O ATOM 1460 CB LYS A 96 86.932 123.360 -50.073 1.00 0.00 C ATOM 1461 CG LYS A 96 88.187 122.555 -49.733 1.00 0.00 C ATOM 1462 CD LYS A 96 88.341 121.329 -50.635 1.00 0.00 C ATOM 1463 CE LYS A 96 88.824 121.706 -52.036 1.00 0.00 C ATOM 1464 NZ LYS A 96 87.728 122.104 -52.911 1.00 0.00 N ATOM 1465 OXT LYS A 96 85.381 126.414 -49.151 1.00 0.00 O ATOM 0 H LYS A 96 86.085 122.690 -47.828 1.00 0.00 H new ATOM 0 HA LYS A 96 87.441 125.043 -48.841 1.00 0.00 H new ATOM 0 HB2 LYS A 96 86.091 122.680 -50.211 1.00 0.00 H new ATOM 0 HB3 LYS A 96 87.080 123.880 -51.019 1.00 0.00 H new ATOM 0 HG2 LYS A 96 89.065 123.192 -49.834 1.00 0.00 H new ATOM 0 HG3 LYS A 96 88.143 122.236 -48.692 1.00 0.00 H new ATOM 0 HD2 LYS A 96 89.047 120.633 -50.183 1.00 0.00 H new ATOM 0 HD3 LYS A 96 87.385 120.810 -50.708 1.00 0.00 H new ATOM 0 HE2 LYS A 96 89.542 122.523 -51.963 1.00 0.00 H new ATOM 0 HE3 LYS A 96 89.349 120.859 -52.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 87.877 121.702 -53.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 86.829 121.753 -52.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 87.695 123.141 -52.976 1.00 0.00 H new TER 1479 LYS A 96