USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 534 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 12:sc= 0.674 USER MOD Single : A 10 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.0838) USER MOD Single : A 11 TYR OH : rot 180:sc=-0.00197 USER MOD Single : A 13 THR OG1 : rot 141:sc= 0.706 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 TYR OH : rot -169:sc= 1.18 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 43:sc= 0.0141 USER MOD Single : A 20 GLN : amide:sc= -0.0588 X(o=-0.059,f=-0.16) USER MOD Single : A 21 SER OG : rot -125:sc= -0.695 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -100:sc= -0.272 (180deg=-3.43!) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.113 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00157) USER MOD Single : A 62 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0259) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 35:sc= 0.131 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.860 21.186 -7.595 1.00 0.00 N ATOM 2 CA GLY A 1 8.461 20.003 -7.009 1.00 0.00 C ATOM 3 C GLY A 1 7.428 19.016 -6.504 1.00 0.00 C ATOM 4 O GLY A 1 7.421 17.852 -6.906 1.00 0.00 O ATOM 0 H1 GLY A 1 8.608 21.829 -7.925 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.262 20.909 -8.400 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.278 21.669 -6.881 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.093 19.515 -7.751 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.109 20.299 -6.184 1.00 0.00 H new ATOM 8 N SER A 2 6.551 19.480 -5.619 1.00 0.00 N ATOM 9 CA SER A 2 5.512 18.628 -5.053 1.00 0.00 C ATOM 10 C SER A 2 4.125 19.162 -5.401 1.00 0.00 C ATOM 11 O SER A 2 3.980 20.299 -5.848 1.00 0.00 O ATOM 12 CB SER A 2 5.670 18.535 -3.535 1.00 0.00 C ATOM 13 OG SER A 2 4.983 17.407 -3.019 1.00 0.00 O ATOM 0 H SER A 2 6.540 20.441 -5.279 1.00 0.00 H new ATOM 0 HA SER A 2 5.618 17.632 -5.483 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.728 18.469 -3.280 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.286 19.443 -3.070 1.00 0.00 H new ATOM 0 HG SER A 2 5.101 17.369 -2.047 1.00 0.00 H new ATOM 19 N SER A 3 3.109 18.331 -5.190 1.00 0.00 N ATOM 20 CA SER A 3 1.733 18.716 -5.483 1.00 0.00 C ATOM 21 C SER A 3 1.003 19.135 -4.211 1.00 0.00 C ATOM 22 O SER A 3 0.410 20.210 -4.148 1.00 0.00 O ATOM 23 CB SER A 3 0.990 17.560 -6.154 1.00 0.00 C ATOM 24 OG SER A 3 1.451 17.357 -7.479 1.00 0.00 O ATOM 0 H SER A 3 3.213 17.387 -4.817 1.00 0.00 H new ATOM 0 HA SER A 3 1.757 19.567 -6.164 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.130 16.648 -5.573 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.080 17.769 -6.166 1.00 0.00 H new ATOM 0 HG SER A 3 0.961 16.612 -7.885 1.00 0.00 H new ATOM 30 N GLY A 4 1.053 18.276 -3.197 1.00 0.00 N ATOM 31 CA GLY A 4 0.392 18.573 -1.940 1.00 0.00 C ATOM 32 C GLY A 4 0.523 17.445 -0.936 1.00 0.00 C ATOM 33 O GLY A 4 0.683 16.284 -1.313 1.00 0.00 O ATOM 0 H GLY A 4 1.540 17.380 -3.224 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.816 19.484 -1.516 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.664 18.769 -2.126 1.00 0.00 H new ATOM 37 N SER A 5 0.456 17.786 0.347 1.00 0.00 N ATOM 38 CA SER A 5 0.573 16.794 1.410 1.00 0.00 C ATOM 39 C SER A 5 -0.331 15.595 1.135 1.00 0.00 C ATOM 40 O SER A 5 -1.527 15.627 1.425 1.00 0.00 O ATOM 41 CB SER A 5 0.217 17.417 2.760 1.00 0.00 C ATOM 42 OG SER A 5 1.128 18.446 3.103 1.00 0.00 O ATOM 0 H SER A 5 0.321 18.742 0.676 1.00 0.00 H new ATOM 0 HA SER A 5 1.607 16.449 1.440 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.795 17.821 2.722 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.225 16.648 3.532 1.00 0.00 H new ATOM 0 HG SER A 5 0.877 18.829 3.969 1.00 0.00 H new ATOM 48 N SER A 6 0.250 14.540 0.574 1.00 0.00 N ATOM 49 CA SER A 6 -0.502 13.332 0.255 1.00 0.00 C ATOM 50 C SER A 6 0.421 12.120 0.185 1.00 0.00 C ATOM 51 O SER A 6 1.317 12.056 -0.656 1.00 0.00 O ATOM 52 CB SER A 6 -1.244 13.501 -1.073 1.00 0.00 C ATOM 53 OG SER A 6 -2.365 14.355 -0.926 1.00 0.00 O ATOM 0 H SER A 6 1.240 14.497 0.331 1.00 0.00 H new ATOM 0 HA SER A 6 -1.230 13.167 1.050 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.566 13.911 -1.822 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.570 12.527 -1.437 1.00 0.00 H new ATOM 0 HG SER A 6 -2.318 14.811 -0.060 1.00 0.00 H new ATOM 59 N GLY A 7 0.195 11.159 1.075 1.00 0.00 N ATOM 60 CA GLY A 7 1.014 9.961 1.097 1.00 0.00 C ATOM 61 C GLY A 7 2.390 10.210 1.683 1.00 0.00 C ATOM 62 O GLY A 7 3.309 10.616 0.972 1.00 0.00 O ATOM 0 H GLY A 7 -0.540 11.188 1.781 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.509 9.190 1.679 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.119 9.577 0.082 1.00 0.00 H new ATOM 66 N GLU A 8 2.532 9.968 2.982 1.00 0.00 N ATOM 67 CA GLU A 8 3.805 10.172 3.662 1.00 0.00 C ATOM 68 C GLU A 8 4.858 9.192 3.151 1.00 0.00 C ATOM 69 O GLU A 8 5.990 9.576 2.865 1.00 0.00 O ATOM 70 CB GLU A 8 3.632 10.010 5.174 1.00 0.00 C ATOM 71 CG GLU A 8 3.235 11.295 5.882 1.00 0.00 C ATOM 72 CD GLU A 8 1.733 11.501 5.915 1.00 0.00 C ATOM 73 OE1 GLU A 8 1.075 11.228 4.889 1.00 0.00 O ATOM 74 OE2 GLU A 8 1.216 11.937 6.964 1.00 0.00 O ATOM 0 H GLU A 8 1.781 9.630 3.584 1.00 0.00 H new ATOM 0 HA GLU A 8 4.144 11.186 3.449 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.874 9.251 5.365 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.565 9.643 5.601 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.618 11.277 6.902 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.703 12.142 5.380 1.00 0.00 H new ATOM 81 N GLU A 9 4.473 7.924 3.042 1.00 0.00 N ATOM 82 CA GLU A 9 5.384 6.889 2.567 1.00 0.00 C ATOM 83 C GLU A 9 4.750 6.083 1.437 1.00 0.00 C ATOM 84 O GLU A 9 3.603 5.647 1.537 1.00 0.00 O ATOM 85 CB GLU A 9 5.775 5.957 3.716 1.00 0.00 C ATOM 86 CG GLU A 9 6.893 6.503 4.588 1.00 0.00 C ATOM 87 CD GLU A 9 7.294 5.543 5.692 1.00 0.00 C ATOM 88 OE1 GLU A 9 7.537 4.356 5.387 1.00 0.00 O ATOM 89 OE2 GLU A 9 7.365 5.978 6.860 1.00 0.00 O ATOM 0 H GLU A 9 3.538 7.589 3.276 1.00 0.00 H new ATOM 0 HA GLU A 9 6.280 7.377 2.183 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.899 5.772 4.337 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.083 4.996 3.304 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.762 6.719 3.966 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.576 7.447 5.030 1.00 0.00 H new ATOM 96 N LYS A 10 5.505 5.887 0.362 1.00 0.00 N ATOM 97 CA LYS A 10 5.020 5.134 -0.788 1.00 0.00 C ATOM 98 C LYS A 10 5.712 3.777 -0.881 1.00 0.00 C ATOM 99 O LYS A 10 6.935 3.701 -1.004 1.00 0.00 O ATOM 100 CB LYS A 10 5.250 5.925 -2.078 1.00 0.00 C ATOM 101 CG LYS A 10 4.091 6.835 -2.449 1.00 0.00 C ATOM 102 CD LYS A 10 4.054 7.109 -3.942 1.00 0.00 C ATOM 103 CE LYS A 10 4.884 8.331 -4.306 1.00 0.00 C ATOM 104 NZ LYS A 10 6.314 7.982 -4.534 1.00 0.00 N ATOM 0 H LYS A 10 6.457 6.240 0.263 1.00 0.00 H new ATOM 0 HA LYS A 10 3.951 4.969 -0.657 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.153 6.526 -1.969 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.429 5.227 -2.896 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.153 6.375 -2.139 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.179 7.777 -1.907 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.429 6.239 -4.482 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.022 7.261 -4.260 1.00 0.00 H new ATOM 0 HE2 LYS A 10 4.475 8.793 -5.205 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.813 9.069 -3.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.921 8.645 -4.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.492 7.013 -4.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.529 8.045 -5.550 1.00 0.00 H new ATOM 118 N TYR A 11 4.923 2.710 -0.824 1.00 0.00 N ATOM 119 CA TYR A 11 5.461 1.357 -0.900 1.00 0.00 C ATOM 120 C TYR A 11 5.165 0.730 -2.260 1.00 0.00 C ATOM 121 O TYR A 11 4.582 1.368 -3.137 1.00 0.00 O ATOM 122 CB TYR A 11 4.874 0.489 0.213 1.00 0.00 C ATOM 123 CG TYR A 11 5.670 0.531 1.497 1.00 0.00 C ATOM 124 CD1 TYR A 11 5.892 1.731 2.161 1.00 0.00 C ATOM 125 CD2 TYR A 11 6.199 -0.631 2.047 1.00 0.00 C ATOM 126 CE1 TYR A 11 6.620 1.774 3.334 1.00 0.00 C ATOM 127 CE2 TYR A 11 6.927 -0.596 3.221 1.00 0.00 C ATOM 128 CZ TYR A 11 7.134 0.607 3.861 1.00 0.00 C ATOM 129 OH TYR A 11 7.860 0.645 5.030 1.00 0.00 O ATOM 0 H TYR A 11 3.909 2.756 -0.725 1.00 0.00 H new ATOM 0 HA TYR A 11 6.542 1.415 -0.774 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.854 0.815 0.417 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.815 -0.542 -0.135 1.00 0.00 H new ATOM 0 HD1 TYR A 11 5.488 2.646 1.753 1.00 0.00 H new ATOM 0 HD2 TYR A 11 6.038 -1.576 1.549 1.00 0.00 H new ATOM 0 HE1 TYR A 11 6.786 2.716 3.836 1.00 0.00 H new ATOM 0 HE2 TYR A 11 7.332 -1.507 3.635 1.00 0.00 H new ATOM 0 HH TYR A 11 8.149 -0.261 5.265 1.00 0.00 H new ATOM 139 N VAL A 12 5.572 -0.525 -2.426 1.00 0.00 N ATOM 140 CA VAL A 12 5.350 -1.240 -3.676 1.00 0.00 C ATOM 141 C VAL A 12 4.768 -2.626 -3.421 1.00 0.00 C ATOM 142 O VAL A 12 5.075 -3.265 -2.413 1.00 0.00 O ATOM 143 CB VAL A 12 6.656 -1.384 -4.479 1.00 0.00 C ATOM 144 CG1 VAL A 12 6.397 -2.099 -5.797 1.00 0.00 C ATOM 145 CG2 VAL A 12 7.286 -0.021 -4.719 1.00 0.00 C ATOM 0 H VAL A 12 6.057 -1.067 -1.710 1.00 0.00 H new ATOM 0 HA VAL A 12 4.638 -0.651 -4.255 1.00 0.00 H new ATOM 0 HB VAL A 12 7.355 -1.986 -3.898 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.331 -2.191 -6.351 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.993 -3.092 -5.599 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.681 -1.527 -6.387 1.00 0.00 H new ATOM 0 HG21 VAL A 12 8.208 -0.141 -5.288 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.593 0.606 -5.280 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.509 0.450 -3.762 1.00 0.00 H new ATOM 155 N THR A 13 3.925 -3.087 -4.340 1.00 0.00 N ATOM 156 CA THR A 13 3.299 -4.397 -4.214 1.00 0.00 C ATOM 157 C THR A 13 4.091 -5.459 -4.968 1.00 0.00 C ATOM 158 O THR A 13 4.231 -5.393 -6.190 1.00 0.00 O ATOM 159 CB THR A 13 1.852 -4.381 -4.742 1.00 0.00 C ATOM 160 OG1 THR A 13 1.849 -4.170 -6.158 1.00 0.00 O ATOM 161 CG2 THR A 13 1.039 -3.290 -4.061 1.00 0.00 C ATOM 0 H THR A 13 3.660 -2.572 -5.180 1.00 0.00 H new ATOM 0 HA THR A 13 3.288 -4.641 -3.152 1.00 0.00 H new ATOM 0 HB THR A 13 1.397 -5.346 -4.518 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.159 -4.730 -6.571 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.021 -3.298 -4.450 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.018 -3.469 -2.986 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.495 -2.320 -4.258 1.00 0.00 H new ATOM 169 N VAL A 14 4.607 -6.439 -4.233 1.00 0.00 N ATOM 170 CA VAL A 14 5.383 -7.517 -4.833 1.00 0.00 C ATOM 171 C VAL A 14 4.492 -8.700 -5.198 1.00 0.00 C ATOM 172 O VAL A 14 4.945 -9.663 -5.817 1.00 0.00 O ATOM 173 CB VAL A 14 6.497 -8.001 -3.885 1.00 0.00 C ATOM 174 CG1 VAL A 14 7.540 -6.912 -3.688 1.00 0.00 C ATOM 175 CG2 VAL A 14 5.910 -8.438 -2.553 1.00 0.00 C ATOM 0 H VAL A 14 4.501 -6.508 -3.221 1.00 0.00 H new ATOM 0 HA VAL A 14 5.836 -7.114 -5.739 1.00 0.00 H new ATOM 0 HB VAL A 14 6.988 -8.862 -4.338 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.319 -7.272 -3.016 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.982 -6.653 -4.650 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.068 -6.029 -3.257 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.711 -8.777 -1.896 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.392 -7.598 -2.090 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.205 -9.253 -2.716 1.00 0.00 H new ATOM 185 N GLN A 15 3.223 -8.619 -4.811 1.00 0.00 N ATOM 186 CA GLN A 15 2.268 -9.683 -5.097 1.00 0.00 C ATOM 187 C GLN A 15 0.839 -9.152 -5.074 1.00 0.00 C ATOM 188 O GLN A 15 0.487 -8.278 -4.281 1.00 0.00 O ATOM 189 CB GLN A 15 2.419 -10.818 -4.082 1.00 0.00 C ATOM 190 CG GLN A 15 3.839 -11.346 -3.966 1.00 0.00 C ATOM 191 CD GLN A 15 3.979 -12.418 -2.903 1.00 0.00 C ATOM 192 OE1 GLN A 15 4.312 -12.130 -1.754 1.00 0.00 O ATOM 193 NE2 GLN A 15 3.723 -13.665 -3.283 1.00 0.00 N ATOM 0 H GLN A 15 2.833 -7.828 -4.299 1.00 0.00 H new ATOM 0 HA GLN A 15 2.478 -10.067 -6.095 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.090 -10.466 -3.104 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.758 -11.637 -4.365 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.151 -11.751 -4.928 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.512 -10.520 -3.734 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.450 -13.859 -4.246 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.800 -14.429 -2.611 1.00 0.00 H new ATOM 202 N PRO A 16 -0.006 -9.690 -5.966 1.00 0.00 N ATOM 203 CA PRO A 16 -1.411 -9.286 -6.069 1.00 0.00 C ATOM 204 C PRO A 16 -2.235 -9.738 -4.868 1.00 0.00 C ATOM 205 O PRO A 16 -1.969 -10.788 -4.281 1.00 0.00 O ATOM 206 CB PRO A 16 -1.891 -9.989 -7.341 1.00 0.00 C ATOM 207 CG PRO A 16 -0.990 -11.166 -7.486 1.00 0.00 C ATOM 208 CD PRO A 16 0.344 -10.736 -6.942 1.00 0.00 C ATOM 0 HA PRO A 16 -1.521 -8.202 -6.097 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.933 -10.296 -7.254 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.824 -9.330 -8.207 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.377 -12.024 -6.936 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.907 -11.467 -8.530 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.872 -11.565 -6.470 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.993 -10.351 -7.728 1.00 0.00 H new ATOM 216 N TYR A 17 -3.234 -8.942 -4.507 1.00 0.00 N ATOM 217 CA TYR A 17 -4.095 -9.260 -3.374 1.00 0.00 C ATOM 218 C TYR A 17 -5.566 -9.210 -3.776 1.00 0.00 C ATOM 219 O TYR A 17 -6.000 -8.295 -4.477 1.00 0.00 O ATOM 220 CB TYR A 17 -3.837 -8.287 -2.222 1.00 0.00 C ATOM 221 CG TYR A 17 -4.621 -8.611 -0.970 1.00 0.00 C ATOM 222 CD1 TYR A 17 -4.237 -9.650 -0.134 1.00 0.00 C ATOM 223 CD2 TYR A 17 -5.748 -7.874 -0.624 1.00 0.00 C ATOM 224 CE1 TYR A 17 -4.951 -9.949 1.010 1.00 0.00 C ATOM 225 CE2 TYR A 17 -6.468 -8.165 0.519 1.00 0.00 C ATOM 226 CZ TYR A 17 -6.066 -9.203 1.333 1.00 0.00 C ATOM 227 OH TYR A 17 -6.779 -9.497 2.472 1.00 0.00 O ATOM 0 H TYR A 17 -3.468 -8.071 -4.983 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.861 -10.273 -3.046 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.773 -8.291 -1.986 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -4.088 -7.277 -2.547 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.364 -10.235 -0.382 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -6.066 -7.060 -1.259 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -4.638 -10.762 1.648 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.341 -7.582 0.774 1.00 0.00 H new ATOM 0 HH TYR A 17 -7.625 -9.002 2.466 1.00 0.00 H new ATOM 237 N THR A 18 -6.330 -10.201 -3.328 1.00 0.00 N ATOM 238 CA THR A 18 -7.751 -10.273 -3.640 1.00 0.00 C ATOM 239 C THR A 18 -8.601 -9.970 -2.411 1.00 0.00 C ATOM 240 O THR A 18 -8.764 -10.818 -1.534 1.00 0.00 O ATOM 241 CB THR A 18 -8.137 -11.660 -4.189 1.00 0.00 C ATOM 242 OG1 THR A 18 -7.265 -12.021 -5.265 1.00 0.00 O ATOM 243 CG2 THR A 18 -9.580 -11.667 -4.674 1.00 0.00 C ATOM 0 H THR A 18 -5.987 -10.966 -2.747 1.00 0.00 H new ATOM 0 HA THR A 18 -7.944 -9.521 -4.405 1.00 0.00 H new ATOM 0 HB THR A 18 -8.037 -12.387 -3.383 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.516 -12.904 -5.607 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.830 -12.656 -5.057 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.244 -11.420 -3.845 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.701 -10.929 -5.467 1.00 0.00 H new ATOM 251 N SER A 19 -9.140 -8.757 -2.353 1.00 0.00 N ATOM 252 CA SER A 19 -9.970 -8.342 -1.229 1.00 0.00 C ATOM 253 C SER A 19 -11.353 -8.981 -1.310 1.00 0.00 C ATOM 254 O SER A 19 -12.048 -8.855 -2.317 1.00 0.00 O ATOM 255 CB SER A 19 -10.102 -6.818 -1.199 1.00 0.00 C ATOM 256 OG SER A 19 -10.344 -6.302 -2.496 1.00 0.00 O ATOM 0 H SER A 19 -9.017 -8.044 -3.072 1.00 0.00 H new ATOM 0 HA SER A 19 -9.487 -8.676 -0.311 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.917 -6.533 -0.533 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.191 -6.379 -0.794 1.00 0.00 H new ATOM 0 HG SER A 19 -10.996 -6.870 -2.958 1.00 0.00 H new ATOM 262 N GLN A 20 -11.744 -9.668 -0.241 1.00 0.00 N ATOM 263 CA GLN A 20 -13.044 -10.329 -0.191 1.00 0.00 C ATOM 264 C GLN A 20 -14.099 -9.408 0.413 1.00 0.00 C ATOM 265 O GLN A 20 -15.291 -9.550 0.138 1.00 0.00 O ATOM 266 CB GLN A 20 -12.951 -11.621 0.623 1.00 0.00 C ATOM 267 CG GLN A 20 -12.540 -12.831 -0.202 1.00 0.00 C ATOM 268 CD GLN A 20 -11.036 -12.984 -0.305 1.00 0.00 C ATOM 269 OE1 GLN A 20 -10.333 -13.012 0.706 1.00 0.00 O ATOM 270 NE2 GLN A 20 -10.534 -13.085 -1.530 1.00 0.00 N ATOM 0 H GLN A 20 -11.180 -9.782 0.601 1.00 0.00 H new ATOM 0 HA GLN A 20 -13.341 -10.571 -1.211 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -12.232 -11.481 1.431 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -13.917 -11.819 1.087 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -12.963 -13.731 0.244 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -12.962 -12.743 -1.203 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.154 -13.057 -2.339 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -9.528 -13.191 -1.662 1.00 0.00 H new ATOM 279 N SER A 21 -13.653 -8.465 1.236 1.00 0.00 N ATOM 280 CA SER A 21 -14.560 -7.523 1.882 1.00 0.00 C ATOM 281 C SER A 21 -14.223 -6.088 1.488 1.00 0.00 C ATOM 282 O SER A 21 -13.124 -5.802 1.015 1.00 0.00 O ATOM 283 CB SER A 21 -14.490 -7.676 3.402 1.00 0.00 C ATOM 284 OG SER A 21 -13.152 -7.593 3.862 1.00 0.00 O ATOM 0 H SER A 21 -12.669 -8.333 1.471 1.00 0.00 H new ATOM 0 HA SER A 21 -15.574 -7.745 1.548 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.090 -6.900 3.877 1.00 0.00 H new ATOM 0 HB3 SER A 21 -14.920 -8.634 3.694 1.00 0.00 H new ATOM 0 HG SER A 21 -12.937 -8.391 4.389 1.00 0.00 H new ATOM 290 N LYS A 22 -15.181 -5.188 1.686 1.00 0.00 N ATOM 291 CA LYS A 22 -14.988 -3.782 1.353 1.00 0.00 C ATOM 292 C LYS A 22 -13.888 -3.164 2.211 1.00 0.00 C ATOM 293 O LYS A 22 -13.076 -2.378 1.724 1.00 0.00 O ATOM 294 CB LYS A 22 -16.295 -3.007 1.547 1.00 0.00 C ATOM 295 CG LYS A 22 -16.172 -1.523 1.250 1.00 0.00 C ATOM 296 CD LYS A 22 -17.523 -0.830 1.305 1.00 0.00 C ATOM 297 CE LYS A 22 -17.981 -0.612 2.739 1.00 0.00 C ATOM 298 NZ LYS A 22 -19.370 -0.081 2.804 1.00 0.00 N ATOM 0 H LYS A 22 -16.098 -5.408 2.075 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.686 -3.721 0.307 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -17.061 -3.436 0.901 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -16.635 -3.136 2.574 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -15.496 -1.062 1.970 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -15.730 -1.384 0.263 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -17.462 0.130 0.792 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -18.262 -1.429 0.773 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -17.927 -1.554 3.284 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -17.303 0.083 3.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -19.644 0.054 3.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -19.417 0.831 2.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -20.021 -0.756 2.354 1.00 0.00 H new ATOM 312 N ASP A 23 -13.867 -3.527 3.489 1.00 0.00 N ATOM 313 CA ASP A 23 -12.864 -3.012 4.414 1.00 0.00 C ATOM 314 C ASP A 23 -11.456 -3.238 3.870 1.00 0.00 C ATOM 315 O ASP A 23 -10.520 -2.526 4.232 1.00 0.00 O ATOM 316 CB ASP A 23 -13.010 -3.680 5.782 1.00 0.00 C ATOM 317 CG ASP A 23 -13.166 -5.185 5.678 1.00 0.00 C ATOM 318 OD1 ASP A 23 -12.150 -5.873 5.446 1.00 0.00 O ATOM 319 OD2 ASP A 23 -14.305 -5.674 5.828 1.00 0.00 O ATOM 0 H ASP A 23 -14.533 -4.176 3.908 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.023 -1.939 4.524 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.136 -3.450 6.391 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -13.876 -3.263 6.296 1.00 0.00 H new ATOM 324 N GLU A 24 -11.316 -4.234 3.001 1.00 0.00 N ATOM 325 CA GLU A 24 -10.022 -4.554 2.410 1.00 0.00 C ATOM 326 C GLU A 24 -9.971 -4.125 0.946 1.00 0.00 C ATOM 327 O GLU A 24 -11.003 -4.024 0.282 1.00 0.00 O ATOM 328 CB GLU A 24 -9.741 -6.053 2.523 1.00 0.00 C ATOM 329 CG GLU A 24 -9.153 -6.463 3.863 1.00 0.00 C ATOM 330 CD GLU A 24 -9.499 -7.890 4.241 1.00 0.00 C ATOM 331 OE1 GLU A 24 -9.050 -8.817 3.535 1.00 0.00 O ATOM 332 OE2 GLU A 24 -10.221 -8.080 5.242 1.00 0.00 O ATOM 0 H GLU A 24 -12.082 -4.832 2.691 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.256 -4.006 2.958 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.669 -6.601 2.360 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.054 -6.346 1.729 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.069 -6.353 3.829 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.517 -5.788 4.637 1.00 0.00 H new ATOM 339 N ILE A 25 -8.764 -3.872 0.452 1.00 0.00 N ATOM 340 CA ILE A 25 -8.578 -3.454 -0.932 1.00 0.00 C ATOM 341 C ILE A 25 -7.666 -4.421 -1.681 1.00 0.00 C ATOM 342 O ILE A 25 -6.688 -4.922 -1.128 1.00 0.00 O ATOM 343 CB ILE A 25 -7.985 -2.036 -1.017 1.00 0.00 C ATOM 344 CG1 ILE A 25 -8.157 -1.471 -2.429 1.00 0.00 C ATOM 345 CG2 ILE A 25 -6.516 -2.052 -0.623 1.00 0.00 C ATOM 346 CD1 ILE A 25 -7.747 -0.021 -2.555 1.00 0.00 C ATOM 0 H ILE A 25 -7.900 -3.949 0.989 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.564 -3.455 -1.397 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.521 -1.392 -0.320 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.568 -2.068 -3.125 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.201 -1.572 -2.727 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.111 -1.042 -0.688 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.417 -2.417 0.399 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.966 -2.708 -1.297 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -7.896 0.311 -3.582 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.354 0.588 -1.885 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.695 0.084 -2.289 1.00 0.00 H new ATOM 358 N GLY A 26 -7.993 -4.677 -2.944 1.00 0.00 N ATOM 359 CA GLY A 26 -7.192 -5.581 -3.748 1.00 0.00 C ATOM 360 C GLY A 26 -6.376 -4.854 -4.799 1.00 0.00 C ATOM 361 O GLY A 26 -6.908 -4.037 -5.552 1.00 0.00 O ATOM 0 H GLY A 26 -8.798 -4.275 -3.424 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.522 -6.144 -3.098 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.845 -6.304 -4.236 1.00 0.00 H new ATOM 365 N PHE A 27 -5.083 -5.150 -4.852 1.00 0.00 N ATOM 366 CA PHE A 27 -4.191 -4.517 -5.817 1.00 0.00 C ATOM 367 C PHE A 27 -3.403 -5.564 -6.598 1.00 0.00 C ATOM 368 O PHE A 27 -3.377 -6.738 -6.230 1.00 0.00 O ATOM 369 CB PHE A 27 -3.229 -3.564 -5.106 1.00 0.00 C ATOM 370 CG PHE A 27 -2.638 -4.136 -3.848 1.00 0.00 C ATOM 371 CD1 PHE A 27 -1.771 -5.215 -3.904 1.00 0.00 C ATOM 372 CD2 PHE A 27 -2.950 -3.595 -2.611 1.00 0.00 C ATOM 373 CE1 PHE A 27 -1.225 -5.744 -2.750 1.00 0.00 C ATOM 374 CE2 PHE A 27 -2.407 -4.119 -1.454 1.00 0.00 C ATOM 375 CZ PHE A 27 -1.545 -5.196 -1.523 1.00 0.00 C ATOM 0 H PHE A 27 -4.628 -5.825 -4.238 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.801 -3.949 -6.519 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.422 -3.299 -5.789 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.757 -2.642 -4.863 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.519 -5.648 -4.861 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.625 -2.754 -2.551 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.549 -6.584 -2.807 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.656 -3.687 -0.496 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.122 -5.609 -0.619 1.00 0.00 H new ATOM 385 N GLU A 28 -2.763 -5.129 -7.679 1.00 0.00 N ATOM 386 CA GLU A 28 -1.975 -6.030 -8.513 1.00 0.00 C ATOM 387 C GLU A 28 -0.492 -5.932 -8.169 1.00 0.00 C ATOM 388 O GLU A 28 -0.084 -5.101 -7.357 1.00 0.00 O ATOM 389 CB GLU A 28 -2.189 -5.708 -9.994 1.00 0.00 C ATOM 390 CG GLU A 28 -1.595 -4.375 -10.418 1.00 0.00 C ATOM 391 CD GLU A 28 -2.134 -3.895 -11.752 1.00 0.00 C ATOM 392 OE1 GLU A 28 -2.412 -4.747 -12.622 1.00 0.00 O ATOM 393 OE2 GLU A 28 -2.277 -2.666 -11.926 1.00 0.00 O ATOM 0 H GLU A 28 -2.774 -4.160 -7.998 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.309 -7.049 -8.318 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.748 -6.501 -10.597 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.258 -5.704 -10.206 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.807 -3.627 -9.654 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.511 -4.468 -10.480 1.00 0.00 H new ATOM 400 N LYS A 29 0.312 -6.787 -8.793 1.00 0.00 N ATOM 401 CA LYS A 29 1.750 -6.797 -8.555 1.00 0.00 C ATOM 402 C LYS A 29 2.478 -5.937 -9.584 1.00 0.00 C ATOM 403 O LYS A 29 2.391 -6.182 -10.786 1.00 0.00 O ATOM 404 CB LYS A 29 2.285 -8.231 -8.604 1.00 0.00 C ATOM 405 CG LYS A 29 3.768 -8.316 -8.921 1.00 0.00 C ATOM 406 CD LYS A 29 4.209 -9.754 -9.141 1.00 0.00 C ATOM 407 CE LYS A 29 5.722 -9.860 -9.264 1.00 0.00 C ATOM 408 NZ LYS A 29 6.183 -11.276 -9.229 1.00 0.00 N ATOM 0 H LYS A 29 -0.009 -7.482 -9.467 1.00 0.00 H new ATOM 0 HA LYS A 29 1.932 -6.380 -7.565 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.099 -8.712 -7.644 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.729 -8.792 -9.355 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.985 -7.727 -9.812 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.342 -7.879 -8.103 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.866 -10.372 -8.311 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.741 -10.145 -10.044 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.044 -9.396 -10.196 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.192 -9.305 -8.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.219 -11.306 -9.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.898 -11.712 -8.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.754 -11.800 -10.018 1.00 0.00 H new ATOM 422 N GLY A 30 3.199 -4.929 -9.101 1.00 0.00 N ATOM 423 CA GLY A 30 3.932 -4.049 -9.992 1.00 0.00 C ATOM 424 C GLY A 30 3.350 -2.650 -10.035 1.00 0.00 C ATOM 425 O GLY A 30 3.402 -1.979 -11.066 1.00 0.00 O ATOM 0 H GLY A 30 3.288 -4.707 -8.110 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.972 -3.996 -9.671 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.930 -4.471 -10.997 1.00 0.00 H new ATOM 429 N VAL A 31 2.792 -2.209 -8.913 1.00 0.00 N ATOM 430 CA VAL A 31 2.196 -0.881 -8.826 1.00 0.00 C ATOM 431 C VAL A 31 2.704 -0.130 -7.600 1.00 0.00 C ATOM 432 O VAL A 31 3.554 -0.628 -6.860 1.00 0.00 O ATOM 433 CB VAL A 31 0.659 -0.958 -8.766 1.00 0.00 C ATOM 434 CG1 VAL A 31 0.096 -1.440 -10.094 1.00 0.00 C ATOM 435 CG2 VAL A 31 0.215 -1.866 -7.629 1.00 0.00 C ATOM 0 H VAL A 31 2.740 -2.752 -8.051 1.00 0.00 H new ATOM 0 HA VAL A 31 2.491 -0.343 -9.727 1.00 0.00 H new ATOM 0 HB VAL A 31 0.270 0.042 -8.575 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.991 -1.488 -10.032 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.384 -0.747 -10.884 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.491 -2.431 -10.318 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.874 -1.909 -7.601 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.614 -2.868 -7.787 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.587 -1.473 -6.683 1.00 0.00 H new ATOM 445 N THR A 32 2.178 1.073 -7.389 1.00 0.00 N ATOM 446 CA THR A 32 2.578 1.894 -6.254 1.00 0.00 C ATOM 447 C THR A 32 1.397 2.173 -5.333 1.00 0.00 C ATOM 448 O THR A 32 0.293 2.466 -5.794 1.00 0.00 O ATOM 449 CB THR A 32 3.182 3.234 -6.715 1.00 0.00 C ATOM 450 OG1 THR A 32 4.354 2.998 -7.504 1.00 0.00 O ATOM 451 CG2 THR A 32 3.538 4.107 -5.520 1.00 0.00 C ATOM 0 H THR A 32 1.473 1.500 -7.990 1.00 0.00 H new ATOM 0 HA THR A 32 3.335 1.331 -5.709 1.00 0.00 H new ATOM 0 HB THR A 32 2.437 3.754 -7.317 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.731 3.855 -7.794 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.963 5.048 -5.870 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.640 4.309 -4.937 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.267 3.590 -4.896 1.00 0.00 H new ATOM 459 N VAL A 33 1.634 2.080 -4.028 1.00 0.00 N ATOM 460 CA VAL A 33 0.588 2.325 -3.042 1.00 0.00 C ATOM 461 C VAL A 33 1.026 3.374 -2.025 1.00 0.00 C ATOM 462 O VAL A 33 2.216 3.532 -1.757 1.00 0.00 O ATOM 463 CB VAL A 33 0.205 1.032 -2.298 1.00 0.00 C ATOM 464 CG1 VAL A 33 -0.409 0.025 -3.258 1.00 0.00 C ATOM 465 CG2 VAL A 33 1.421 0.441 -1.598 1.00 0.00 C ATOM 0 H VAL A 33 2.541 1.837 -3.629 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.281 2.693 -3.587 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.540 1.276 -1.541 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.673 -0.882 -2.714 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.305 0.452 -3.709 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.310 -0.218 -4.040 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.133 -0.472 -1.077 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.189 0.211 -2.336 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.812 1.161 -0.879 1.00 0.00 H new ATOM 475 N GLU A 34 0.055 4.086 -1.463 1.00 0.00 N ATOM 476 CA GLU A 34 0.341 5.119 -0.474 1.00 0.00 C ATOM 477 C GLU A 34 -0.070 4.665 0.923 1.00 0.00 C ATOM 478 O GLU A 34 -1.258 4.559 1.229 1.00 0.00 O ATOM 479 CB GLU A 34 -0.386 6.416 -0.836 1.00 0.00 C ATOM 480 CG GLU A 34 0.297 7.210 -1.938 1.00 0.00 C ATOM 481 CD GLU A 34 -0.037 6.690 -3.323 1.00 0.00 C ATOM 482 OE1 GLU A 34 -1.136 6.124 -3.497 1.00 0.00 O ATOM 483 OE2 GLU A 34 0.803 6.848 -4.234 1.00 0.00 O ATOM 0 H GLU A 34 -0.936 3.967 -1.675 1.00 0.00 H new ATOM 0 HA GLU A 34 1.416 5.300 -0.475 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.403 6.178 -1.148 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.464 7.040 0.055 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.000 8.256 -1.865 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.376 7.175 -1.791 1.00 0.00 H new ATOM 490 N VAL A 35 0.921 4.398 1.768 1.00 0.00 N ATOM 491 CA VAL A 35 0.664 3.956 3.133 1.00 0.00 C ATOM 492 C VAL A 35 0.142 5.101 3.993 1.00 0.00 C ATOM 493 O VAL A 35 0.854 6.074 4.246 1.00 0.00 O ATOM 494 CB VAL A 35 1.933 3.376 3.783 1.00 0.00 C ATOM 495 CG1 VAL A 35 1.649 2.941 5.213 1.00 0.00 C ATOM 496 CG2 VAL A 35 2.471 2.215 2.961 1.00 0.00 C ATOM 0 H VAL A 35 1.910 4.480 1.531 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.094 3.175 3.075 1.00 0.00 H new ATOM 0 HB VAL A 35 2.695 4.155 3.809 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.557 2.534 5.657 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.315 3.800 5.795 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.871 2.177 5.213 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.368 1.818 3.436 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.716 1.432 2.900 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.715 2.562 1.957 1.00 0.00 H new ATOM 506 N ILE A 36 -1.103 4.980 4.439 1.00 0.00 N ATOM 507 CA ILE A 36 -1.719 6.006 5.272 1.00 0.00 C ATOM 508 C ILE A 36 -1.429 5.761 6.749 1.00 0.00 C ATOM 509 O ILE A 36 -0.831 6.601 7.422 1.00 0.00 O ATOM 510 CB ILE A 36 -3.243 6.061 5.063 1.00 0.00 C ATOM 511 CG1 ILE A 36 -3.569 6.273 3.582 1.00 0.00 C ATOM 512 CG2 ILE A 36 -3.855 7.168 5.908 1.00 0.00 C ATOM 513 CD1 ILE A 36 -4.928 5.744 3.181 1.00 0.00 C ATOM 0 H ILE A 36 -1.706 4.182 4.238 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.285 6.959 4.971 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.672 5.110 5.379 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.522 7.338 3.357 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.805 5.785 2.977 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.933 7.194 5.749 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.648 6.978 6.961 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.423 8.126 5.620 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.091 5.928 2.119 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.973 4.672 3.374 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.701 6.250 3.760 1.00 0.00 H new ATOM 525 N ARG A 37 -1.854 4.605 7.247 1.00 0.00 N ATOM 526 CA ARG A 37 -1.640 4.250 8.644 1.00 0.00 C ATOM 527 C ARG A 37 -0.813 2.972 8.759 1.00 0.00 C ATOM 528 O ARG A 37 -0.665 2.227 7.791 1.00 0.00 O ATOM 529 CB ARG A 37 -2.980 4.069 9.358 1.00 0.00 C ATOM 530 CG ARG A 37 -3.804 5.344 9.439 1.00 0.00 C ATOM 531 CD ARG A 37 -3.450 6.158 10.674 1.00 0.00 C ATOM 532 NE ARG A 37 -2.226 6.933 10.487 1.00 0.00 N ATOM 533 CZ ARG A 37 -1.705 7.719 11.422 1.00 0.00 C ATOM 534 NH1 ARG A 37 -2.296 7.834 12.603 1.00 0.00 N ATOM 535 NH2 ARG A 37 -0.588 8.392 11.176 1.00 0.00 N ATOM 0 H ARG A 37 -2.349 3.898 6.703 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.090 5.063 9.119 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.558 3.305 8.839 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.797 3.700 10.367 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.636 5.945 8.545 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.864 5.093 9.459 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.273 6.832 10.912 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -3.329 5.489 11.526 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.745 6.867 9.590 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.154 7.318 12.796 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.893 8.439 13.318 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.130 8.306 10.269 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.188 8.996 11.894 1.00 0.00 H new ATOM 549 N LYS A 38 -0.278 2.726 9.950 1.00 0.00 N ATOM 550 CA LYS A 38 0.533 1.538 10.193 1.00 0.00 C ATOM 551 C LYS A 38 0.202 0.922 11.549 1.00 0.00 C ATOM 552 O LYS A 38 0.279 1.589 12.579 1.00 0.00 O ATOM 553 CB LYS A 38 2.021 1.890 10.131 1.00 0.00 C ATOM 554 CG LYS A 38 2.517 2.191 8.727 1.00 0.00 C ATOM 555 CD LYS A 38 3.969 2.636 8.733 1.00 0.00 C ATOM 556 CE LYS A 38 4.338 3.351 7.442 1.00 0.00 C ATOM 557 NZ LYS A 38 5.775 3.740 7.413 1.00 0.00 N ATOM 0 H LYS A 38 -0.391 3.333 10.762 1.00 0.00 H new ATOM 0 HA LYS A 38 0.306 0.808 9.416 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.208 2.756 10.767 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.599 1.062 10.542 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.410 1.303 8.104 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.899 2.970 8.281 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.144 3.299 9.580 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.616 1.769 8.868 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.120 2.703 6.593 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.719 4.241 7.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.867 4.747 7.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.304 3.166 8.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.159 3.579 6.460 1.00 0.00 H new ATOM 571 N ASN A 39 -0.166 -0.356 11.539 1.00 0.00 N ATOM 572 CA ASN A 39 -0.508 -1.062 12.769 1.00 0.00 C ATOM 573 C ASN A 39 0.530 -2.135 13.086 1.00 0.00 C ATOM 574 O ASN A 39 1.533 -2.271 12.384 1.00 0.00 O ATOM 575 CB ASN A 39 -1.894 -1.696 12.648 1.00 0.00 C ATOM 576 CG ASN A 39 -3.001 -0.759 13.090 1.00 0.00 C ATOM 577 OD1 ASN A 39 -3.066 0.391 12.654 1.00 0.00 O ATOM 578 ND2 ASN A 39 -3.876 -1.246 13.960 1.00 0.00 N ATOM 0 H ASN A 39 -0.235 -0.923 10.694 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.517 -0.339 13.584 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -2.065 -1.993 11.613 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -1.929 -2.604 13.250 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -4.642 -0.661 14.295 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -3.783 -2.205 14.294 1.00 0.00 H new ATOM 585 N LEU A 40 0.281 -2.894 14.147 1.00 0.00 N ATOM 586 CA LEU A 40 1.193 -3.956 14.558 1.00 0.00 C ATOM 587 C LEU A 40 0.689 -5.317 14.089 1.00 0.00 C ATOM 588 O LEU A 40 1.478 -6.233 13.853 1.00 0.00 O ATOM 589 CB LEU A 40 1.355 -3.956 16.080 1.00 0.00 C ATOM 590 CG LEU A 40 2.002 -5.201 16.686 1.00 0.00 C ATOM 591 CD1 LEU A 40 3.449 -5.324 16.235 1.00 0.00 C ATOM 592 CD2 LEU A 40 1.916 -5.162 18.204 1.00 0.00 C ATOM 0 H LEU A 40 -0.544 -2.794 14.738 1.00 0.00 H new ATOM 0 HA LEU A 40 2.162 -3.768 14.096 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.951 -3.088 16.362 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.371 -3.827 16.530 1.00 0.00 H new ATOM 0 HG LEU A 40 1.458 -6.077 16.334 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.893 -6.216 16.676 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.486 -5.400 15.148 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.006 -4.444 16.557 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.382 -6.056 18.618 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.434 -4.278 18.575 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.870 -5.124 18.508 1.00 0.00 H new ATOM 604 N GLU A 41 -0.627 -5.442 13.954 1.00 0.00 N ATOM 605 CA GLU A 41 -1.235 -6.691 13.511 1.00 0.00 C ATOM 606 C GLU A 41 -1.086 -6.864 12.003 1.00 0.00 C ATOM 607 O GLU A 41 -2.070 -7.043 11.286 1.00 0.00 O ATOM 608 CB GLU A 41 -2.714 -6.729 13.897 1.00 0.00 C ATOM 609 CG GLU A 41 -2.952 -6.919 15.385 1.00 0.00 C ATOM 610 CD GLU A 41 -2.315 -8.188 15.920 1.00 0.00 C ATOM 611 OE1 GLU A 41 -1.094 -8.174 16.179 1.00 0.00 O ATOM 612 OE2 GLU A 41 -3.038 -9.192 16.080 1.00 0.00 O ATOM 0 H GLU A 41 -1.293 -4.693 14.145 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.717 -7.513 14.006 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.188 -5.801 13.578 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.201 -7.539 13.354 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.553 -6.061 15.926 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.025 -6.946 15.577 1.00 0.00 H new ATOM 619 N GLY A 42 0.155 -6.808 11.525 1.00 0.00 N ATOM 620 CA GLY A 42 0.411 -6.959 10.106 1.00 0.00 C ATOM 621 C GLY A 42 -0.657 -6.306 9.251 1.00 0.00 C ATOM 622 O GLY A 42 -1.106 -6.881 8.259 1.00 0.00 O ATOM 0 H GLY A 42 0.987 -6.661 12.097 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.381 -6.523 9.867 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.470 -8.020 9.861 1.00 0.00 H new ATOM 626 N TRP A 43 -1.068 -5.104 9.636 1.00 0.00 N ATOM 627 CA TRP A 43 -2.092 -4.372 8.899 1.00 0.00 C ATOM 628 C TRP A 43 -1.624 -2.959 8.573 1.00 0.00 C ATOM 629 O TRP A 43 -1.387 -2.151 9.471 1.00 0.00 O ATOM 630 CB TRP A 43 -3.391 -4.319 9.706 1.00 0.00 C ATOM 631 CG TRP A 43 -4.289 -5.493 9.462 1.00 0.00 C ATOM 632 CD1 TRP A 43 -4.849 -6.307 10.405 1.00 0.00 C ATOM 633 CD2 TRP A 43 -4.733 -5.983 8.191 1.00 0.00 C ATOM 634 NE1 TRP A 43 -5.613 -7.274 9.798 1.00 0.00 N ATOM 635 CE2 TRP A 43 -5.558 -7.097 8.440 1.00 0.00 C ATOM 636 CE3 TRP A 43 -4.514 -5.590 6.869 1.00 0.00 C ATOM 637 CZ2 TRP A 43 -6.162 -7.820 7.415 1.00 0.00 C ATOM 638 CZ3 TRP A 43 -5.113 -6.307 5.852 1.00 0.00 C ATOM 639 CH2 TRP A 43 -5.931 -7.412 6.130 1.00 0.00 C ATOM 0 H TRP A 43 -0.708 -4.615 10.455 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.275 -4.898 7.962 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.149 -4.270 10.768 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -3.927 -3.403 9.459 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.711 -6.205 11.471 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.136 -8.005 10.280 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.887 -4.740 6.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -6.790 -8.672 7.627 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.949 -6.012 4.826 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -6.388 -7.951 5.313 1.00 0.00 H new ATOM 650 N TRP A 44 -1.492 -2.667 7.284 1.00 0.00 N ATOM 651 CA TRP A 44 -1.051 -1.349 6.841 1.00 0.00 C ATOM 652 C TRP A 44 -2.091 -0.706 5.929 1.00 0.00 C ATOM 653 O TRP A 44 -2.230 -1.086 4.766 1.00 0.00 O ATOM 654 CB TRP A 44 0.289 -1.455 6.110 1.00 0.00 C ATOM 655 CG TRP A 44 1.468 -1.487 7.036 1.00 0.00 C ATOM 656 CD1 TRP A 44 1.533 -2.088 8.260 1.00 0.00 C ATOM 657 CD2 TRP A 44 2.750 -0.891 6.810 1.00 0.00 C ATOM 658 NE1 TRP A 44 2.779 -1.901 8.811 1.00 0.00 N ATOM 659 CE2 TRP A 44 3.543 -1.170 7.940 1.00 0.00 C ATOM 660 CE3 TRP A 44 3.305 -0.149 5.763 1.00 0.00 C ATOM 661 CZ2 TRP A 44 4.861 -0.733 8.051 1.00 0.00 C ATOM 662 CZ3 TRP A 44 4.613 0.284 5.875 1.00 0.00 C ATOM 663 CH2 TRP A 44 5.379 -0.010 7.011 1.00 0.00 C ATOM 0 H TRP A 44 -1.684 -3.324 6.528 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.927 -0.720 7.722 1.00 0.00 H new ATOM 0 HB2 TRP A 44 0.291 -2.357 5.499 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.392 -0.609 5.430 1.00 0.00 H new ATOM 0 HD1 TRP A 44 0.724 -2.631 8.727 1.00 0.00 H new ATOM 0 HE1 TRP A 44 3.084 -2.250 9.720 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.723 0.082 4.883 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.453 -0.957 8.926 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 5.052 0.859 5.073 1.00 0.00 H new ATOM 0 HH2 TRP A 44 6.399 0.341 7.067 1.00 0.00 H new ATOM 674 N TYR A 45 -2.818 0.269 6.463 1.00 0.00 N ATOM 675 CA TYR A 45 -3.846 0.963 5.698 1.00 0.00 C ATOM 676 C TYR A 45 -3.235 1.705 4.513 1.00 0.00 C ATOM 677 O TYR A 45 -2.610 2.754 4.678 1.00 0.00 O ATOM 678 CB TYR A 45 -4.602 1.946 6.594 1.00 0.00 C ATOM 679 CG TYR A 45 -6.015 2.222 6.131 1.00 0.00 C ATOM 680 CD1 TYR A 45 -6.899 1.182 5.874 1.00 0.00 C ATOM 681 CD2 TYR A 45 -6.465 3.525 5.952 1.00 0.00 C ATOM 682 CE1 TYR A 45 -8.190 1.432 5.449 1.00 0.00 C ATOM 683 CE2 TYR A 45 -7.755 3.783 5.530 1.00 0.00 C ATOM 684 CZ TYR A 45 -8.614 2.732 5.280 1.00 0.00 C ATOM 685 OH TYR A 45 -9.899 2.984 4.859 1.00 0.00 O ATOM 0 H TYR A 45 -2.714 0.597 7.423 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.544 0.218 5.317 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.632 1.550 7.609 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.051 2.886 6.634 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.572 0.161 6.008 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.795 4.349 6.146 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -8.864 0.612 5.250 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.089 4.801 5.397 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.037 3.952 4.791 1.00 0.00 H new ATOM 695 N ILE A 46 -3.421 1.154 3.318 1.00 0.00 N ATOM 696 CA ILE A 46 -2.891 1.763 2.105 1.00 0.00 C ATOM 697 C ILE A 46 -4.016 2.223 1.183 1.00 0.00 C ATOM 698 O ILE A 46 -5.159 1.784 1.315 1.00 0.00 O ATOM 699 CB ILE A 46 -1.980 0.787 1.337 1.00 0.00 C ATOM 700 CG1 ILE A 46 -2.769 -0.452 0.908 1.00 0.00 C ATOM 701 CG2 ILE A 46 -0.787 0.392 2.193 1.00 0.00 C ATOM 702 CD1 ILE A 46 -2.181 -1.157 -0.294 1.00 0.00 C ATOM 0 H ILE A 46 -3.935 0.287 3.164 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.304 2.627 2.417 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.610 1.287 0.441 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.814 -1.151 1.743 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.794 -0.159 0.682 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.153 -0.298 1.637 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.215 1.283 2.452 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.138 -0.092 3.104 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.792 -2.025 -0.541 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.161 -0.474 -1.143 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.166 -1.481 -0.065 1.00 0.00 H new ATOM 714 N ARG A 47 -3.684 3.108 0.249 1.00 0.00 N ATOM 715 CA ARG A 47 -4.667 3.626 -0.695 1.00 0.00 C ATOM 716 C ARG A 47 -4.254 3.321 -2.132 1.00 0.00 C ATOM 717 O ARG A 47 -3.147 3.658 -2.555 1.00 0.00 O ATOM 718 CB ARG A 47 -4.834 5.136 -0.511 1.00 0.00 C ATOM 719 CG ARG A 47 -5.577 5.809 -1.653 1.00 0.00 C ATOM 720 CD ARG A 47 -6.139 7.159 -1.233 1.00 0.00 C ATOM 721 NE ARG A 47 -5.090 8.071 -0.782 1.00 0.00 N ATOM 722 CZ ARG A 47 -5.260 9.383 -0.659 1.00 0.00 C ATOM 723 NH1 ARG A 47 -6.430 9.933 -0.953 1.00 0.00 N ATOM 724 NH2 ARG A 47 -4.258 10.146 -0.242 1.00 0.00 N ATOM 0 H ARG A 47 -2.743 3.481 0.126 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.619 3.134 -0.497 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.369 5.323 0.420 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.849 5.592 -0.410 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.903 5.942 -2.499 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.389 5.165 -1.990 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.673 7.606 -2.071 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.865 7.017 -0.432 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.178 7.679 -0.549 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.202 9.349 -1.274 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.558 10.940 -0.858 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.357 9.725 -0.016 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.389 11.153 -0.148 1.00 0.00 H new ATOM 738 N TYR A 48 -5.148 2.681 -2.876 1.00 0.00 N ATOM 739 CA TYR A 48 -4.876 2.328 -4.264 1.00 0.00 C ATOM 740 C TYR A 48 -6.107 2.553 -5.135 1.00 0.00 C ATOM 741 O TYR A 48 -7.211 2.129 -4.793 1.00 0.00 O ATOM 742 CB TYR A 48 -4.428 0.868 -4.362 1.00 0.00 C ATOM 743 CG TYR A 48 -4.489 0.309 -5.766 1.00 0.00 C ATOM 744 CD1 TYR A 48 -3.747 0.877 -6.794 1.00 0.00 C ATOM 745 CD2 TYR A 48 -5.288 -0.787 -6.064 1.00 0.00 C ATOM 746 CE1 TYR A 48 -3.800 0.370 -8.078 1.00 0.00 C ATOM 747 CE2 TYR A 48 -5.347 -1.302 -7.345 1.00 0.00 C ATOM 748 CZ TYR A 48 -4.602 -0.720 -8.348 1.00 0.00 C ATOM 749 OH TYR A 48 -4.657 -1.228 -9.625 1.00 0.00 O ATOM 0 H TYR A 48 -6.068 2.396 -2.541 1.00 0.00 H new ATOM 0 HA TYR A 48 -4.075 2.973 -4.626 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -3.407 0.784 -3.991 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.055 0.260 -3.710 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.118 1.730 -6.586 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.874 -1.245 -5.281 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.217 0.824 -8.866 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.973 -2.156 -7.559 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.267 -1.995 -9.646 1.00 0.00 H new ATOM 759 N LEU A 49 -5.910 3.224 -6.265 1.00 0.00 N ATOM 760 CA LEU A 49 -7.004 3.507 -7.188 1.00 0.00 C ATOM 761 C LEU A 49 -8.082 4.348 -6.513 1.00 0.00 C ATOM 762 O LEU A 49 -9.275 4.118 -6.706 1.00 0.00 O ATOM 763 CB LEU A 49 -7.609 2.202 -7.707 1.00 0.00 C ATOM 764 CG LEU A 49 -6.880 1.543 -8.879 1.00 0.00 C ATOM 765 CD1 LEU A 49 -7.438 0.154 -9.142 1.00 0.00 C ATOM 766 CD2 LEU A 49 -6.988 2.408 -10.128 1.00 0.00 C ATOM 0 H LEU A 49 -5.003 3.582 -6.564 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.601 4.073 -8.028 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.648 1.490 -6.883 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.638 2.397 -8.009 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.826 1.445 -8.618 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.907 -0.299 -9.979 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.309 -0.464 -8.253 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.499 0.227 -9.382 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.464 1.924 -10.952 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.038 2.537 -10.392 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.540 3.383 -9.935 1.00 0.00 H new ATOM 778 N GLY A 50 -7.654 5.328 -5.722 1.00 0.00 N ATOM 779 CA GLY A 50 -8.595 6.190 -5.032 1.00 0.00 C ATOM 780 C GLY A 50 -9.487 5.425 -4.074 1.00 0.00 C ATOM 781 O GLY A 50 -10.667 5.743 -3.924 1.00 0.00 O ATOM 0 H GLY A 50 -6.672 5.540 -5.547 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -8.047 6.954 -4.481 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.214 6.708 -5.765 1.00 0.00 H new ATOM 785 N LYS A 51 -8.923 4.413 -3.424 1.00 0.00 N ATOM 786 CA LYS A 51 -9.674 3.600 -2.475 1.00 0.00 C ATOM 787 C LYS A 51 -8.803 3.206 -1.287 1.00 0.00 C ATOM 788 O LYS A 51 -7.685 2.721 -1.459 1.00 0.00 O ATOM 789 CB LYS A 51 -10.213 2.344 -3.163 1.00 0.00 C ATOM 790 CG LYS A 51 -11.588 2.531 -3.779 1.00 0.00 C ATOM 791 CD LYS A 51 -12.690 2.371 -2.746 1.00 0.00 C ATOM 792 CE LYS A 51 -13.030 0.906 -2.517 1.00 0.00 C ATOM 793 NZ LYS A 51 -14.438 0.727 -2.066 1.00 0.00 N ATOM 0 H LYS A 51 -7.948 4.136 -3.537 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.511 4.195 -2.109 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.514 2.038 -3.941 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.257 1.532 -2.437 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.653 3.521 -4.231 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.731 1.805 -4.579 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.377 2.824 -1.805 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -13.581 2.905 -3.077 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.870 0.348 -3.439 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.354 0.489 -1.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -14.630 -0.285 -1.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -14.584 1.239 -1.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -15.085 1.102 -2.789 1.00 0.00 H new ATOM 807 N GLU A 52 -9.323 3.418 -0.081 1.00 0.00 N ATOM 808 CA GLU A 52 -8.591 3.085 1.135 1.00 0.00 C ATOM 809 C GLU A 52 -9.063 1.751 1.706 1.00 0.00 C ATOM 810 O GLU A 52 -10.254 1.550 1.939 1.00 0.00 O ATOM 811 CB GLU A 52 -8.763 4.189 2.180 1.00 0.00 C ATOM 812 CG GLU A 52 -8.266 5.549 1.717 1.00 0.00 C ATOM 813 CD GLU A 52 -8.800 6.685 2.566 1.00 0.00 C ATOM 814 OE1 GLU A 52 -9.114 6.445 3.750 1.00 0.00 O ATOM 815 OE2 GLU A 52 -8.904 7.816 2.046 1.00 0.00 O ATOM 0 H GLU A 52 -10.247 3.818 0.079 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.535 2.998 0.880 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.818 4.267 2.443 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.229 3.906 3.087 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.176 5.562 1.743 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.561 5.706 0.680 1.00 0.00 H new ATOM 822 N GLY A 53 -8.119 0.841 1.929 1.00 0.00 N ATOM 823 CA GLY A 53 -8.458 -0.463 2.470 1.00 0.00 C ATOM 824 C GLY A 53 -7.323 -1.072 3.267 1.00 0.00 C ATOM 825 O GLY A 53 -6.205 -0.557 3.261 1.00 0.00 O ATOM 0 H GLY A 53 -7.126 0.983 1.745 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.337 -0.371 3.108 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.725 -1.134 1.653 1.00 0.00 H new ATOM 829 N TRP A 54 -7.609 -2.171 3.956 1.00 0.00 N ATOM 830 CA TRP A 54 -6.603 -2.851 4.764 1.00 0.00 C ATOM 831 C TRP A 54 -5.845 -3.881 3.935 1.00 0.00 C ATOM 832 O TRP A 54 -6.447 -4.750 3.305 1.00 0.00 O ATOM 833 CB TRP A 54 -7.259 -3.529 5.968 1.00 0.00 C ATOM 834 CG TRP A 54 -7.541 -2.587 7.098 1.00 0.00 C ATOM 835 CD1 TRP A 54 -8.768 -2.182 7.542 1.00 0.00 C ATOM 836 CD2 TRP A 54 -6.577 -1.931 7.929 1.00 0.00 C ATOM 837 NE1 TRP A 54 -8.624 -1.314 8.597 1.00 0.00 N ATOM 838 CE2 TRP A 54 -7.290 -1.144 8.854 1.00 0.00 C ATOM 839 CE3 TRP A 54 -5.180 -1.934 7.982 1.00 0.00 C ATOM 840 CZ2 TRP A 54 -6.653 -0.369 9.819 1.00 0.00 C ATOM 841 CZ3 TRP A 54 -4.550 -1.163 8.940 1.00 0.00 C ATOM 842 CH2 TRP A 54 -5.285 -0.390 9.849 1.00 0.00 C ATOM 0 H TRP A 54 -8.529 -2.610 3.971 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.893 -2.105 5.119 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -8.192 -3.994 5.650 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -6.610 -4.329 6.324 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -9.713 -2.498 7.125 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -9.387 -0.868 9.106 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -4.604 -2.528 7.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -7.218 0.228 10.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.471 -1.156 8.989 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -4.762 0.200 10.587 1.00 0.00 H new ATOM 853 N ALA A 55 -4.520 -3.779 3.939 1.00 0.00 N ATOM 854 CA ALA A 55 -3.679 -4.705 3.189 1.00 0.00 C ATOM 855 C ALA A 55 -2.528 -5.219 4.046 1.00 0.00 C ATOM 856 O ALA A 55 -1.973 -4.501 4.878 1.00 0.00 O ATOM 857 CB ALA A 55 -3.146 -4.032 1.932 1.00 0.00 C ATOM 0 H ALA A 55 -4.005 -3.064 4.453 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.290 -5.560 2.899 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.520 -4.734 1.381 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.981 -3.721 1.304 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.555 -3.159 2.209 1.00 0.00 H new ATOM 863 N PRO A 56 -2.160 -6.492 3.842 1.00 0.00 N ATOM 864 CA PRO A 56 -1.071 -7.131 4.587 1.00 0.00 C ATOM 865 C PRO A 56 0.297 -6.571 4.209 1.00 0.00 C ATOM 866 O PRO A 56 0.675 -6.569 3.038 1.00 0.00 O ATOM 867 CB PRO A 56 -1.178 -8.602 4.179 1.00 0.00 C ATOM 868 CG PRO A 56 -1.836 -8.579 2.843 1.00 0.00 C ATOM 869 CD PRO A 56 -2.777 -7.406 2.865 1.00 0.00 C ATOM 0 HA PRO A 56 -1.159 -6.965 5.661 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.195 -9.071 4.128 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.766 -9.171 4.900 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.099 -8.473 2.047 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.375 -9.508 2.657 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.866 -6.943 1.882 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.781 -7.702 3.170 1.00 0.00 H new ATOM 877 N ALA A 57 1.033 -6.099 5.208 1.00 0.00 N ATOM 878 CA ALA A 57 2.360 -5.539 4.980 1.00 0.00 C ATOM 879 C ALA A 57 3.245 -6.517 4.214 1.00 0.00 C ATOM 880 O ALA A 57 4.224 -6.119 3.584 1.00 0.00 O ATOM 881 CB ALA A 57 3.009 -5.163 6.304 1.00 0.00 C ATOM 0 H ALA A 57 0.734 -6.093 6.183 1.00 0.00 H new ATOM 0 HA ALA A 57 2.248 -4.640 4.374 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.999 -4.746 6.119 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.393 -4.422 6.814 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.100 -6.051 6.930 1.00 0.00 H new ATOM 887 N SER A 58 2.893 -7.797 4.273 1.00 0.00 N ATOM 888 CA SER A 58 3.657 -8.833 3.588 1.00 0.00 C ATOM 889 C SER A 58 3.619 -8.626 2.077 1.00 0.00 C ATOM 890 O SER A 58 4.554 -8.992 1.365 1.00 0.00 O ATOM 891 CB SER A 58 3.109 -10.217 3.939 1.00 0.00 C ATOM 892 OG SER A 58 3.965 -11.240 3.461 1.00 0.00 O ATOM 0 H SER A 58 2.083 -8.142 4.788 1.00 0.00 H new ATOM 0 HA SER A 58 4.693 -8.766 3.920 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.000 -10.305 5.020 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.115 -10.339 3.507 1.00 0.00 H new ATOM 0 HG SER A 58 3.594 -12.115 3.699 1.00 0.00 H new ATOM 898 N TYR A 59 2.531 -8.037 1.594 1.00 0.00 N ATOM 899 CA TYR A 59 2.368 -7.783 0.167 1.00 0.00 C ATOM 900 C TYR A 59 2.802 -6.364 -0.187 1.00 0.00 C ATOM 901 O TYR A 59 2.484 -5.856 -1.263 1.00 0.00 O ATOM 902 CB TYR A 59 0.911 -8.002 -0.248 1.00 0.00 C ATOM 903 CG TYR A 59 0.511 -9.458 -0.310 1.00 0.00 C ATOM 904 CD1 TYR A 59 0.553 -10.260 0.824 1.00 0.00 C ATOM 905 CD2 TYR A 59 0.092 -10.034 -1.503 1.00 0.00 C ATOM 906 CE1 TYR A 59 0.190 -11.592 0.772 1.00 0.00 C ATOM 907 CE2 TYR A 59 -0.275 -11.364 -1.564 1.00 0.00 C ATOM 908 CZ TYR A 59 -0.224 -12.139 -0.424 1.00 0.00 C ATOM 909 OH TYR A 59 -0.588 -13.465 -0.481 1.00 0.00 O ATOM 0 H TYR A 59 1.748 -7.726 2.170 1.00 0.00 H new ATOM 0 HA TYR A 59 3.003 -8.483 -0.376 1.00 0.00 H new ATOM 0 HB2 TYR A 59 0.260 -7.485 0.457 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.748 -7.547 -1.225 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.875 -9.834 1.763 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.053 -9.431 -2.398 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.230 -12.201 1.663 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.600 -11.795 -2.499 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.855 -13.692 -1.396 1.00 0.00 H new ATOM 919 N LEU A 60 3.531 -5.731 0.725 1.00 0.00 N ATOM 920 CA LEU A 60 4.011 -4.371 0.511 1.00 0.00 C ATOM 921 C LEU A 60 5.484 -4.247 0.888 1.00 0.00 C ATOM 922 O LEU A 60 5.918 -4.765 1.916 1.00 0.00 O ATOM 923 CB LEU A 60 3.180 -3.380 1.328 1.00 0.00 C ATOM 924 CG LEU A 60 1.665 -3.591 1.299 1.00 0.00 C ATOM 925 CD1 LEU A 60 0.990 -2.764 2.381 1.00 0.00 C ATOM 926 CD2 LEU A 60 1.104 -3.240 -0.071 1.00 0.00 C ATOM 0 H LEU A 60 3.803 -6.138 1.620 1.00 0.00 H new ATOM 0 HA LEU A 60 3.905 -4.138 -0.549 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.513 -3.425 2.365 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.394 -2.374 0.968 1.00 0.00 H new ATOM 0 HG LEU A 60 1.460 -4.644 1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.087 -2.927 2.345 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.370 -3.063 3.358 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.203 -1.708 2.217 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.025 -3.396 -0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.320 -2.196 -0.296 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.564 -3.877 -0.827 1.00 0.00 H new ATOM 938 N LYS A 61 6.248 -3.555 0.048 1.00 0.00 N ATOM 939 CA LYS A 61 7.671 -3.360 0.294 1.00 0.00 C ATOM 940 C LYS A 61 8.026 -1.877 0.289 1.00 0.00 C ATOM 941 O LYS A 61 7.459 -1.094 -0.475 1.00 0.00 O ATOM 942 CB LYS A 61 8.498 -4.096 -0.763 1.00 0.00 C ATOM 943 CG LYS A 61 8.194 -3.660 -2.186 1.00 0.00 C ATOM 944 CD LYS A 61 9.128 -4.322 -3.184 1.00 0.00 C ATOM 945 CE LYS A 61 10.398 -3.509 -3.383 1.00 0.00 C ATOM 946 NZ LYS A 61 10.249 -2.506 -4.474 1.00 0.00 N ATOM 0 H LYS A 61 5.905 -3.120 -0.809 1.00 0.00 H new ATOM 0 HA LYS A 61 7.903 -3.768 1.278 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.557 -3.934 -0.561 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.316 -5.167 -0.673 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.162 -3.910 -2.431 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.287 -2.577 -2.263 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.386 -5.322 -2.835 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.617 -4.440 -4.139 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.653 -3.000 -2.454 1.00 0.00 H new ATOM 0 HE3 LYS A 61 11.225 -4.179 -3.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.141 -1.984 -4.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.014 -2.992 -5.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.487 -1.840 -4.232 1.00 0.00 H new ATOM 960 N LYS A 62 8.968 -1.494 1.144 1.00 0.00 N ATOM 961 CA LYS A 62 9.401 -0.104 1.237 1.00 0.00 C ATOM 962 C LYS A 62 10.167 0.311 -0.014 1.00 0.00 C ATOM 963 O LYS A 62 11.312 -0.096 -0.216 1.00 0.00 O ATOM 964 CB LYS A 62 10.277 0.096 2.476 1.00 0.00 C ATOM 965 CG LYS A 62 10.199 1.498 3.053 1.00 0.00 C ATOM 966 CD LYS A 62 10.861 2.516 2.139 1.00 0.00 C ATOM 967 CE LYS A 62 10.656 3.936 2.645 1.00 0.00 C ATOM 968 NZ LYS A 62 11.356 4.170 3.938 1.00 0.00 N ATOM 0 H LYS A 62 9.447 -2.128 1.784 1.00 0.00 H new ATOM 0 HA LYS A 62 8.514 0.523 1.322 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.979 -0.620 3.241 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.313 -0.125 2.218 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.155 1.771 3.207 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.681 1.517 4.030 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.928 2.304 2.069 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.451 2.424 1.133 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.022 4.643 1.901 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.590 4.127 2.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.249 5.167 4.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.943 3.560 4.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.366 3.947 3.831 1.00 0.00 H new ATOM 982 N ALA A 63 9.530 1.123 -0.851 1.00 0.00 N ATOM 983 CA ALA A 63 10.155 1.597 -2.080 1.00 0.00 C ATOM 984 C ALA A 63 11.395 2.432 -1.780 1.00 0.00 C ATOM 985 O ALA A 63 11.445 3.150 -0.780 1.00 0.00 O ATOM 986 CB ALA A 63 9.158 2.402 -2.901 1.00 0.00 C ATOM 0 H ALA A 63 8.581 1.466 -0.701 1.00 0.00 H new ATOM 0 HA ALA A 63 10.468 0.728 -2.659 1.00 0.00 H new ATOM 0 HB1 ALA A 63 9.637 2.750 -3.816 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.304 1.774 -3.155 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.817 3.260 -2.321 1.00 0.00 H new ATOM 992 N LYS A 64 12.393 2.334 -2.650 1.00 0.00 N ATOM 993 CA LYS A 64 13.633 3.082 -2.480 1.00 0.00 C ATOM 994 C LYS A 64 14.344 2.670 -1.194 1.00 0.00 C ATOM 995 O LYS A 64 14.937 3.503 -0.508 1.00 0.00 O ATOM 996 CB LYS A 64 13.348 4.585 -2.460 1.00 0.00 C ATOM 997 CG LYS A 64 14.587 5.441 -2.660 1.00 0.00 C ATOM 998 CD LYS A 64 14.244 6.922 -2.682 1.00 0.00 C ATOM 999 CE LYS A 64 14.229 7.511 -1.279 1.00 0.00 C ATOM 1000 NZ LYS A 64 14.321 8.997 -1.301 1.00 0.00 N ATOM 0 H LYS A 64 12.368 1.743 -3.481 1.00 0.00 H new ATOM 0 HA LYS A 64 14.285 2.854 -3.324 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.624 4.820 -3.241 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.886 4.846 -1.508 1.00 0.00 H new ATOM 0 HG2 LYS A 64 15.300 5.244 -1.859 1.00 0.00 H new ATOM 0 HG3 LYS A 64 15.074 5.165 -3.596 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.971 7.456 -3.294 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.269 7.064 -3.148 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.314 7.211 -0.769 1.00 0.00 H new ATOM 0 HE3 LYS A 64 15.062 7.104 -0.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 14.308 9.360 -0.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 15.207 9.283 -1.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.513 9.387 -1.827 1.00 0.00 H new ATOM 1014 N ASP A 65 14.281 1.382 -0.875 1.00 0.00 N ATOM 1015 CA ASP A 65 14.921 0.861 0.327 1.00 0.00 C ATOM 1016 C ASP A 65 16.262 1.546 0.571 1.00 0.00 C ATOM 1017 O ASP A 65 16.907 2.020 -0.364 1.00 0.00 O ATOM 1018 CB ASP A 65 15.121 -0.651 0.209 1.00 0.00 C ATOM 1019 CG ASP A 65 13.899 -1.355 -0.348 1.00 0.00 C ATOM 1020 OD1 ASP A 65 13.560 -1.112 -1.525 1.00 0.00 O ATOM 1021 OD2 ASP A 65 13.282 -2.149 0.394 1.00 0.00 O ATOM 0 H ASP A 65 13.794 0.680 -1.432 1.00 0.00 H new ATOM 0 HA ASP A 65 14.268 1.069 1.175 1.00 0.00 H new ATOM 0 HB2 ASP A 65 15.977 -0.852 -0.435 1.00 0.00 H new ATOM 0 HB3 ASP A 65 15.357 -1.061 1.191 1.00 0.00 H new ATOM 1026 N SER A 66 16.674 1.596 1.833 1.00 0.00 N ATOM 1027 CA SER A 66 17.936 2.228 2.201 1.00 0.00 C ATOM 1028 C SER A 66 18.731 1.341 3.154 1.00 0.00 C ATOM 1029 O SER A 66 18.286 1.046 4.262 1.00 0.00 O ATOM 1030 CB SER A 66 17.679 3.590 2.848 1.00 0.00 C ATOM 1031 OG SER A 66 18.887 4.171 3.308 1.00 0.00 O ATOM 0 H SER A 66 16.153 1.207 2.618 1.00 0.00 H new ATOM 0 HA SER A 66 18.521 2.370 1.292 1.00 0.00 H new ATOM 0 HB2 SER A 66 17.203 4.255 2.127 1.00 0.00 H new ATOM 0 HB3 SER A 66 16.986 3.475 3.682 1.00 0.00 H new ATOM 0 HG SER A 66 18.697 5.041 3.716 1.00 0.00 H new ATOM 1037 N GLY A 67 19.913 0.918 2.713 1.00 0.00 N ATOM 1038 CA GLY A 67 20.751 0.068 3.537 1.00 0.00 C ATOM 1039 C GLY A 67 20.083 -1.247 3.882 1.00 0.00 C ATOM 1040 O GLY A 67 19.510 -1.415 4.960 1.00 0.00 O ATOM 0 H GLY A 67 20.304 1.149 1.800 1.00 0.00 H new ATOM 0 HA2 GLY A 67 21.687 -0.130 3.015 1.00 0.00 H new ATOM 0 HA3 GLY A 67 21.005 0.595 4.457 1.00 0.00 H new ATOM 1044 N PRO A 68 20.150 -2.211 2.952 1.00 0.00 N ATOM 1045 CA PRO A 68 19.550 -3.536 3.139 1.00 0.00 C ATOM 1046 C PRO A 68 20.287 -4.362 4.188 1.00 0.00 C ATOM 1047 O PRO A 68 19.708 -5.255 4.807 1.00 0.00 O ATOM 1048 CB PRO A 68 19.682 -4.183 1.759 1.00 0.00 C ATOM 1049 CG PRO A 68 20.840 -3.492 1.126 1.00 0.00 C ATOM 1050 CD PRO A 68 20.816 -2.082 1.645 1.00 0.00 C ATOM 0 HA PRO A 68 18.523 -3.472 3.498 1.00 0.00 H new ATOM 0 HB2 PRO A 68 19.857 -5.256 1.840 1.00 0.00 H new ATOM 0 HB3 PRO A 68 18.773 -4.052 1.172 1.00 0.00 H new ATOM 0 HG2 PRO A 68 21.777 -3.986 1.383 1.00 0.00 H new ATOM 0 HG3 PRO A 68 20.758 -3.509 0.039 1.00 0.00 H new ATOM 0 HD2 PRO A 68 21.822 -1.673 1.745 1.00 0.00 H new ATOM 0 HD3 PRO A 68 20.267 -1.418 0.978 1.00 0.00 H new ATOM 1058 N SER A 69 21.565 -4.057 4.384 1.00 0.00 N ATOM 1059 CA SER A 69 22.383 -4.775 5.355 1.00 0.00 C ATOM 1060 C SER A 69 22.577 -3.944 6.620 1.00 0.00 C ATOM 1061 O SER A 69 23.043 -2.806 6.563 1.00 0.00 O ATOM 1062 CB SER A 69 23.742 -5.128 4.750 1.00 0.00 C ATOM 1063 OG SER A 69 24.389 -3.974 4.240 1.00 0.00 O ATOM 0 H SER A 69 22.057 -3.317 3.883 1.00 0.00 H new ATOM 0 HA SER A 69 21.863 -5.696 5.620 1.00 0.00 H new ATOM 0 HB2 SER A 69 24.370 -5.596 5.508 1.00 0.00 H new ATOM 0 HB3 SER A 69 23.609 -5.857 3.951 1.00 0.00 H new ATOM 0 HG SER A 69 24.179 -3.203 4.808 1.00 0.00 H new ATOM 1069 N SER A 70 22.217 -4.521 7.761 1.00 0.00 N ATOM 1070 CA SER A 70 22.347 -3.834 9.041 1.00 0.00 C ATOM 1071 C SER A 70 23.635 -4.244 9.749 1.00 0.00 C ATOM 1072 O SER A 70 23.627 -5.107 10.625 1.00 0.00 O ATOM 1073 CB SER A 70 21.142 -4.137 9.933 1.00 0.00 C ATOM 1074 OG SER A 70 19.941 -3.666 9.346 1.00 0.00 O ATOM 0 H SER A 70 21.833 -5.464 7.826 1.00 0.00 H new ATOM 0 HA SER A 70 22.385 -2.762 8.847 1.00 0.00 H new ATOM 0 HB2 SER A 70 21.071 -5.212 10.101 1.00 0.00 H new ATOM 0 HB3 SER A 70 21.281 -3.670 10.908 1.00 0.00 H new ATOM 0 HG SER A 70 19.186 -3.874 9.935 1.00 0.00 H new ATOM 1080 N GLY A 71 24.742 -3.617 9.362 1.00 0.00 N ATOM 1081 CA GLY A 71 26.023 -3.930 9.969 1.00 0.00 C ATOM 1082 C GLY A 71 26.612 -2.752 10.717 1.00 0.00 C ATOM 1083 O GLY A 71 26.602 -2.722 11.948 1.00 0.00 O ATOM 0 H GLY A 71 24.775 -2.898 8.639 1.00 0.00 H new ATOM 0 HA2 GLY A 71 25.902 -4.768 10.655 1.00 0.00 H new ATOM 0 HA3 GLY A 71 26.720 -4.250 9.195 1.00 0.00 H new TER 1087 GLY A 71