USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 623 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -141:sc= -0.0383 (180deg=-2.34) USER MOD Single : A 3 ASN : amide:sc= -1.03 K(o=-1,f=-4.9!) USER MOD Single : A 5 TYR OH : rot 110:sc= 1.94 USER MOD Single : A 8 ASN : amide:sc= -0.381 X(o=-0.38,f=-0.16) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -130:sc= -2.13 USER MOD Single : A 15 SER OG : rot 150:sc= -0.0051 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0.0363 USER MOD Single : A 24 GLN : amide:sc= -0.288 K(o=-0.29,f=-2.5!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0676 X(o=-0.068,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.00915 USER MOD Single : A 40 LYS NZ :NH3+ 170:sc= -0.0196 (180deg=-0.0318) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -151:sc= -5.08! (180deg=-7.96!) USER MOD Single : A 51 GLN : amide:sc= 0.294 K(o=0.29,f=-6.9!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.431 X(o=-0.43,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 54:sc= 1.55 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.0896 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.179 5.280 -15.511 1.00 0.00 N ATOM 2 CA MET A 1 2.140 4.317 -14.379 1.00 0.00 C ATOM 3 C MET A 1 3.165 4.680 -13.311 1.00 0.00 C ATOM 4 O MET A 1 4.353 4.391 -13.452 1.00 0.00 O ATOM 5 CB MET A 1 2.418 2.914 -14.923 1.00 0.00 C ATOM 6 CG MET A 1 1.303 2.372 -15.806 1.00 0.00 C ATOM 7 SD MET A 1 1.900 1.778 -17.400 1.00 0.00 S ATOM 8 CE MET A 1 1.557 0.026 -17.258 1.00 0.00 C ATOM 0 H1 MET A 1 1.210 5.470 -15.839 1.00 0.00 H new ATOM 0 H2 MET A 1 2.618 6.168 -15.196 1.00 0.00 H new ATOM 0 H3 MET A 1 2.736 4.876 -16.291 1.00 0.00 H new ATOM 0 HA MET A 1 1.155 4.352 -13.913 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.346 2.932 -15.494 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.572 2.233 -14.086 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.797 1.558 -15.286 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.562 3.155 -15.969 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.872 -0.481 -18.170 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.103 -0.384 -16.408 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.488 -0.125 -17.110 1.00 0.00 H new ATOM 20 N ARG A 2 2.698 5.317 -12.242 1.00 0.00 N ATOM 21 CA ARG A 2 3.575 5.721 -11.149 1.00 0.00 C ATOM 22 C ARG A 2 3.694 4.613 -10.107 1.00 0.00 C ATOM 23 O ARG A 2 3.027 3.583 -10.203 1.00 0.00 O ATOM 24 CB ARG A 2 3.054 7.000 -10.492 1.00 0.00 C ATOM 25 CG ARG A 2 2.902 8.164 -11.458 1.00 0.00 C ATOM 26 CD ARG A 2 4.211 8.476 -12.165 1.00 0.00 C ATOM 27 NE ARG A 2 5.239 8.938 -11.236 1.00 0.00 N ATOM 28 CZ ARG A 2 6.400 9.464 -11.617 1.00 0.00 C ATOM 29 NH1 ARG A 2 6.686 9.594 -12.907 1.00 0.00 N ATOM 30 NH2 ARG A 2 7.279 9.861 -10.707 1.00 0.00 N ATOM 0 H ARG A 2 1.717 5.564 -12.109 1.00 0.00 H new ATOM 0 HA ARG A 2 4.564 5.912 -11.565 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.088 6.794 -10.031 1.00 0.00 H new ATOM 0 HB3 ARG A 2 3.734 7.290 -9.691 1.00 0.00 H new ATOM 0 HG2 ARG A 2 2.136 7.928 -12.196 1.00 0.00 H new ATOM 0 HG3 ARG A 2 2.561 9.046 -10.916 1.00 0.00 H new ATOM 0 HD2 ARG A 2 4.565 7.584 -12.683 1.00 0.00 H new ATOM 0 HD3 ARG A 2 4.040 9.239 -12.925 1.00 0.00 H new ATOM 0 HE ARG A 2 5.056 8.852 -10.236 1.00 0.00 H new ATOM 0 HH11 ARG A 2 6.014 9.290 -13.612 1.00 0.00 H new ATOM 0 HH12 ARG A 2 7.578 9.998 -13.193 1.00 0.00 H new ATOM 0 HH21 ARG A 2 7.065 9.763 -9.715 1.00 0.00 H new ATOM 0 HH22 ARG A 2 8.169 10.264 -11.000 1.00 0.00 H new ATOM 44 N ASN A 3 4.547 4.834 -9.112 1.00 0.00 N ATOM 45 CA ASN A 3 4.754 3.857 -8.050 1.00 0.00 C ATOM 46 C ASN A 3 4.449 4.465 -6.686 1.00 0.00 C ATOM 47 O ASN A 3 4.946 5.540 -6.350 1.00 0.00 O ATOM 48 CB ASN A 3 6.193 3.339 -8.080 1.00 0.00 C ATOM 49 CG ASN A 3 6.464 2.450 -9.278 1.00 0.00 C ATOM 50 OD1 ASN A 3 5.633 2.331 -10.178 1.00 0.00 O ATOM 51 ND2 ASN A 3 7.632 1.820 -9.294 1.00 0.00 N ATOM 0 H ASN A 3 5.106 5.682 -9.019 1.00 0.00 H new ATOM 0 HA ASN A 3 4.071 3.024 -8.217 1.00 0.00 H new ATOM 0 HB2 ASN A 3 6.880 4.185 -8.096 1.00 0.00 H new ATOM 0 HB3 ASN A 3 6.395 2.782 -7.165 1.00 0.00 H new ATOM 0 HD21 ASN A 3 7.871 1.208 -10.074 1.00 0.00 H new ATOM 0 HD22 ASN A 3 8.291 1.948 -8.526 1.00 0.00 H new ATOM 58 N ILE A 4 3.628 3.772 -5.904 1.00 0.00 N ATOM 59 CA ILE A 4 3.256 4.246 -4.577 1.00 0.00 C ATOM 60 C ILE A 4 4.061 3.536 -3.493 1.00 0.00 C ATOM 61 O ILE A 4 4.405 2.362 -3.629 1.00 0.00 O ATOM 62 CB ILE A 4 1.754 4.036 -4.306 1.00 0.00 C ATOM 63 CG1 ILE A 4 0.924 4.557 -5.480 1.00 0.00 C ATOM 64 CG2 ILE A 4 1.347 4.728 -3.013 1.00 0.00 C ATOM 65 CD1 ILE A 4 -0.551 4.239 -5.366 1.00 0.00 C ATOM 0 H ILE A 4 3.208 2.880 -6.167 1.00 0.00 H new ATOM 0 HA ILE A 4 3.477 5.313 -4.549 1.00 0.00 H new ATOM 0 HB ILE A 4 1.565 2.968 -4.198 1.00 0.00 H new ATOM 0 HG12 ILE A 4 1.050 5.637 -5.552 1.00 0.00 H new ATOM 0 HG13 ILE A 4 1.309 4.129 -6.405 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.283 4.571 -2.835 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.919 4.313 -2.183 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.547 5.796 -3.094 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.077 4.639 -6.233 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -0.688 3.158 -5.325 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -0.951 4.691 -4.458 1.00 0.00 H new ATOM 77 N TYR A 5 4.356 4.258 -2.416 1.00 0.00 N ATOM 78 CA TYR A 5 5.119 3.699 -1.305 1.00 0.00 C ATOM 79 C TYR A 5 4.367 3.867 0.010 1.00 0.00 C ATOM 80 O TYR A 5 4.124 4.987 0.460 1.00 0.00 O ATOM 81 CB TYR A 5 6.489 4.373 -1.211 1.00 0.00 C ATOM 82 CG TYR A 5 7.485 3.607 -0.369 1.00 0.00 C ATOM 83 CD1 TYR A 5 7.304 3.469 1.001 1.00 0.00 C ATOM 84 CD2 TYR A 5 8.605 3.021 -0.946 1.00 0.00 C ATOM 85 CE1 TYR A 5 8.212 2.769 1.774 1.00 0.00 C ATOM 86 CE2 TYR A 5 9.517 2.320 -0.180 1.00 0.00 C ATOM 87 CZ TYR A 5 9.316 2.197 1.179 1.00 0.00 C ATOM 88 OH TYR A 5 10.222 1.500 1.944 1.00 0.00 O ATOM 0 H TYR A 5 4.078 5.231 -2.289 1.00 0.00 H new ATOM 0 HA TYR A 5 5.257 2.634 -1.491 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.894 4.496 -2.216 1.00 0.00 H new ATOM 0 HB3 TYR A 5 6.365 5.372 -0.793 1.00 0.00 H new ATOM 0 HD1 TYR A 5 6.440 3.916 1.470 1.00 0.00 H new ATOM 0 HD2 TYR A 5 8.765 3.115 -2.010 1.00 0.00 H new ATOM 0 HE1 TYR A 5 8.057 2.671 2.838 1.00 0.00 H new ATOM 0 HE2 TYR A 5 10.383 1.871 -0.643 1.00 0.00 H new ATOM 0 HH TYR A 5 10.163 0.545 1.732 1.00 0.00 H new ATOM 98 N VAL A 6 3.999 2.746 0.624 1.00 0.00 N ATOM 99 CA VAL A 6 3.273 2.770 1.888 1.00 0.00 C ATOM 100 C VAL A 6 4.046 2.035 2.979 1.00 0.00 C ATOM 101 O VAL A 6 4.554 0.936 2.761 1.00 0.00 O ATOM 102 CB VAL A 6 1.874 2.137 1.742 1.00 0.00 C ATOM 103 CG1 VAL A 6 1.985 0.677 1.329 1.00 0.00 C ATOM 104 CG2 VAL A 6 1.085 2.276 3.035 1.00 0.00 C ATOM 0 H VAL A 6 4.192 1.811 0.266 1.00 0.00 H new ATOM 0 HA VAL A 6 3.161 3.816 2.172 1.00 0.00 H new ATOM 0 HB VAL A 6 1.337 2.670 0.958 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.987 0.250 1.232 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.504 0.608 0.373 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.543 0.126 2.086 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.101 1.823 2.911 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.617 1.772 3.842 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.970 3.332 3.280 1.00 0.00 H new ATOM 114 N GLY A 7 4.130 2.652 4.154 1.00 0.00 N ATOM 115 CA GLY A 7 4.842 2.043 5.263 1.00 0.00 C ATOM 116 C GLY A 7 3.938 1.765 6.448 1.00 0.00 C ATOM 117 O GLY A 7 2.715 1.853 6.339 1.00 0.00 O ATOM 0 H GLY A 7 3.718 3.562 4.358 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.297 1.110 4.930 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.653 2.700 5.575 1.00 0.00 H new ATOM 121 N ASN A 8 4.541 1.428 7.584 1.00 0.00 N ATOM 122 CA ASN A 8 3.782 1.136 8.794 1.00 0.00 C ATOM 123 C ASN A 8 2.834 -0.039 8.571 1.00 0.00 C ATOM 124 O ASN A 8 1.744 -0.088 9.142 1.00 0.00 O ATOM 125 CB ASN A 8 2.992 2.370 9.235 1.00 0.00 C ATOM 126 CG ASN A 8 3.744 3.204 10.254 1.00 0.00 C ATOM 127 OD1 ASN A 8 4.058 2.735 11.348 1.00 0.00 O ATOM 128 ND2 ASN A 8 4.038 4.449 9.898 1.00 0.00 N ATOM 0 H ASN A 8 5.552 1.351 7.691 1.00 0.00 H new ATOM 0 HA ASN A 8 4.487 0.865 9.580 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.766 2.984 8.363 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.039 2.055 9.660 1.00 0.00 H new ATOM 0 HD21 ASN A 8 4.544 5.058 10.542 1.00 0.00 H new ATOM 0 HD22 ASN A 8 3.758 4.797 8.981 1.00 0.00 H new ATOM 135 N LEU A 9 3.257 -0.983 7.737 1.00 0.00 N ATOM 136 CA LEU A 9 2.446 -2.158 7.438 1.00 0.00 C ATOM 137 C LEU A 9 2.703 -3.269 8.450 1.00 0.00 C ATOM 138 O LEU A 9 3.847 -3.544 8.810 1.00 0.00 O ATOM 139 CB LEU A 9 2.742 -2.662 6.024 1.00 0.00 C ATOM 140 CG LEU A 9 2.278 -1.738 4.896 1.00 0.00 C ATOM 141 CD1 LEU A 9 2.535 -2.379 3.541 1.00 0.00 C ATOM 142 CD2 LEU A 9 0.803 -1.400 5.057 1.00 0.00 C ATOM 0 H LEU A 9 4.156 -0.958 7.256 1.00 0.00 H new ATOM 0 HA LEU A 9 1.397 -1.869 7.501 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.817 -2.817 5.927 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.267 -3.635 5.895 1.00 0.00 H new ATOM 0 HG LEU A 9 2.851 -0.812 4.951 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.199 -1.707 2.751 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.602 -2.570 3.425 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.989 -3.320 3.474 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.490 -0.742 4.246 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.214 -2.317 5.028 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.647 -0.899 6.012 1.00 0.00 H new ATOM 154 N VAL A 10 1.628 -3.905 8.906 1.00 0.00 N ATOM 155 CA VAL A 10 1.733 -4.987 9.877 1.00 0.00 C ATOM 156 C VAL A 10 1.486 -6.342 9.209 1.00 0.00 C ATOM 157 O VAL A 10 1.232 -6.410 8.006 1.00 0.00 O ATOM 158 CB VAL A 10 0.741 -4.780 11.048 1.00 0.00 C ATOM 159 CG1 VAL A 10 -0.642 -5.320 10.708 1.00 0.00 C ATOM 160 CG2 VAL A 10 1.274 -5.419 12.322 1.00 0.00 C ATOM 0 H VAL A 10 0.674 -3.689 8.618 1.00 0.00 H new ATOM 0 HA VAL A 10 2.746 -4.976 10.279 1.00 0.00 H new ATOM 0 HB VAL A 10 0.643 -3.707 11.216 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.313 -5.158 11.552 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.030 -4.801 9.831 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.574 -6.387 10.498 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.563 -5.262 13.133 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.413 -6.488 12.162 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.229 -4.965 12.585 1.00 0.00 H new ATOM 170 N TYR A 11 1.564 -7.416 9.992 1.00 0.00 N ATOM 171 CA TYR A 11 1.349 -8.766 9.471 1.00 0.00 C ATOM 172 C TYR A 11 0.104 -8.824 8.589 1.00 0.00 C ATOM 173 O TYR A 11 0.161 -9.274 7.445 1.00 0.00 O ATOM 174 CB TYR A 11 1.216 -9.767 10.622 1.00 0.00 C ATOM 175 CG TYR A 11 2.243 -9.579 11.716 1.00 0.00 C ATOM 176 CD1 TYR A 11 3.586 -9.395 11.412 1.00 0.00 C ATOM 177 CD2 TYR A 11 1.868 -9.586 13.054 1.00 0.00 C ATOM 178 CE1 TYR A 11 4.526 -9.223 12.410 1.00 0.00 C ATOM 179 CE2 TYR A 11 2.802 -9.413 14.058 1.00 0.00 C ATOM 180 CZ TYR A 11 4.129 -9.233 13.730 1.00 0.00 C ATOM 181 OH TYR A 11 5.063 -9.061 14.727 1.00 0.00 O ATOM 0 H TYR A 11 1.774 -7.379 10.989 1.00 0.00 H new ATOM 0 HA TYR A 11 2.214 -9.031 8.864 1.00 0.00 H new ATOM 0 HB2 TYR A 11 0.219 -9.680 11.054 1.00 0.00 H new ATOM 0 HB3 TYR A 11 1.304 -10.778 10.224 1.00 0.00 H new ATOM 0 HD1 TYR A 11 3.900 -9.386 10.379 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.829 -9.729 13.314 1.00 0.00 H new ATOM 0 HE1 TYR A 11 5.566 -9.081 12.157 1.00 0.00 H new ATOM 0 HE2 TYR A 11 2.494 -9.419 15.093 1.00 0.00 H new ATOM 0 HH TYR A 11 4.619 -9.093 15.600 1.00 0.00 H new ATOM 191 N SER A 12 -1.019 -8.363 9.131 1.00 0.00 N ATOM 192 CA SER A 12 -2.279 -8.358 8.396 1.00 0.00 C ATOM 193 C SER A 12 -3.125 -7.152 8.791 1.00 0.00 C ATOM 194 O SER A 12 -4.172 -7.292 9.423 1.00 0.00 O ATOM 195 CB SER A 12 -3.052 -9.652 8.658 1.00 0.00 C ATOM 196 OG SER A 12 -3.766 -10.062 7.504 1.00 0.00 O ATOM 0 H SER A 12 -1.082 -7.988 10.077 1.00 0.00 H new ATOM 0 HA SER A 12 -2.055 -8.291 7.331 1.00 0.00 H new ATOM 0 HB2 SER A 12 -2.360 -10.438 8.960 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.746 -9.504 9.485 1.00 0.00 H new ATOM 0 HG SER A 12 -4.250 -10.892 7.697 1.00 0.00 H new ATOM 202 N ALA A 13 -2.658 -5.965 8.419 1.00 0.00 N ATOM 203 CA ALA A 13 -3.364 -4.730 8.738 1.00 0.00 C ATOM 204 C ALA A 13 -4.559 -4.518 7.814 1.00 0.00 C ATOM 205 O ALA A 13 -5.705 -4.726 8.210 1.00 0.00 O ATOM 206 CB ALA A 13 -2.414 -3.545 8.655 1.00 0.00 C ATOM 0 H ALA A 13 -1.793 -5.832 7.896 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.741 -4.812 9.757 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.953 -2.629 8.895 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.598 -3.682 9.364 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.009 -3.473 7.646 1.00 0.00 H new ATOM 212 N THR A 14 -4.284 -4.098 6.583 1.00 0.00 N ATOM 213 CA THR A 14 -5.342 -3.852 5.608 1.00 0.00 C ATOM 214 C THR A 14 -4.796 -3.775 4.183 1.00 0.00 C ATOM 215 O THR A 14 -5.532 -3.990 3.222 1.00 0.00 O ATOM 216 CB THR A 14 -6.085 -2.558 5.946 1.00 0.00 C ATOM 217 OG1 THR A 14 -5.949 -2.242 7.320 1.00 0.00 O ATOM 218 CG2 THR A 14 -7.565 -2.620 5.634 1.00 0.00 C ATOM 0 H THR A 14 -3.341 -3.921 6.237 1.00 0.00 H new ATOM 0 HA THR A 14 -6.032 -4.694 5.659 1.00 0.00 H new ATOM 0 HB THR A 14 -5.628 -1.792 5.319 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.832 -2.054 7.701 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.032 -1.671 5.897 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.705 -2.811 4.570 1.00 0.00 H new ATOM 0 HG23 THR A 14 -8.025 -3.423 6.210 1.00 0.00 H new ATOM 226 N SER A 15 -3.508 -3.463 4.043 1.00 0.00 N ATOM 227 CA SER A 15 -2.885 -3.356 2.726 1.00 0.00 C ATOM 228 C SER A 15 -3.238 -4.549 1.843 1.00 0.00 C ATOM 229 O SER A 15 -3.805 -4.386 0.763 1.00 0.00 O ATOM 230 CB SER A 15 -1.366 -3.238 2.863 1.00 0.00 C ATOM 231 OG SER A 15 -0.852 -4.241 3.723 1.00 0.00 O ATOM 0 H SER A 15 -2.878 -3.280 4.824 1.00 0.00 H new ATOM 0 HA SER A 15 -3.273 -2.456 2.249 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.901 -3.324 1.881 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.108 -2.253 3.253 1.00 0.00 H new ATOM 0 HG SER A 15 0.060 -4.471 3.448 1.00 0.00 H new ATOM 237 N GLU A 16 -2.908 -5.746 2.310 1.00 0.00 N ATOM 238 CA GLU A 16 -3.204 -6.960 1.559 1.00 0.00 C ATOM 239 C GLU A 16 -4.711 -7.196 1.480 1.00 0.00 C ATOM 240 O GLU A 16 -5.179 -8.028 0.702 1.00 0.00 O ATOM 241 CB GLU A 16 -2.520 -8.166 2.207 1.00 0.00 C ATOM 242 CG GLU A 16 -2.476 -9.394 1.313 1.00 0.00 C ATOM 243 CD GLU A 16 -1.106 -9.625 0.706 1.00 0.00 C ATOM 244 OE1 GLU A 16 -0.833 -9.059 -0.374 1.00 0.00 O ATOM 245 OE2 GLU A 16 -0.307 -10.370 1.309 1.00 0.00 O ATOM 0 H GLU A 16 -2.437 -5.903 3.201 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.820 -6.835 0.547 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.502 -7.891 2.482 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.043 -8.417 3.130 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.765 -10.271 1.892 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.209 -9.284 0.514 1.00 0.00 H new ATOM 252 N GLN A 17 -5.466 -6.460 2.292 1.00 0.00 N ATOM 253 CA GLN A 17 -6.918 -6.587 2.316 1.00 0.00 C ATOM 254 C GLN A 17 -7.572 -5.623 1.328 1.00 0.00 C ATOM 255 O GLN A 17 -8.649 -5.897 0.798 1.00 0.00 O ATOM 256 CB GLN A 17 -7.444 -6.327 3.730 1.00 0.00 C ATOM 257 CG GLN A 17 -8.960 -6.361 3.837 1.00 0.00 C ATOM 258 CD GLN A 17 -9.446 -6.252 5.270 1.00 0.00 C ATOM 259 OE1 GLN A 17 -8.819 -6.775 6.192 1.00 0.00 O ATOM 260 NE2 GLN A 17 -10.569 -5.570 5.464 1.00 0.00 N ATOM 0 H GLN A 17 -5.094 -5.768 2.943 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.175 -7.604 2.018 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.025 -7.072 4.406 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.087 -5.354 4.067 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.380 -5.543 3.251 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.331 -7.289 3.401 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.056 -5.153 4.671 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.944 -5.463 6.406 1.00 0.00 H new ATOM 269 N VAL A 18 -6.919 -4.488 1.095 1.00 0.00 N ATOM 270 CA VAL A 18 -7.442 -3.477 0.183 1.00 0.00 C ATOM 271 C VAL A 18 -7.008 -3.736 -1.258 1.00 0.00 C ATOM 272 O VAL A 18 -7.679 -3.314 -2.199 1.00 0.00 O ATOM 273 CB VAL A 18 -6.991 -2.062 0.601 1.00 0.00 C ATOM 274 CG1 VAL A 18 -5.475 -1.941 0.543 1.00 0.00 C ATOM 275 CG2 VAL A 18 -7.652 -1.008 -0.276 1.00 0.00 C ATOM 0 H VAL A 18 -6.027 -4.246 1.526 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.529 -3.540 0.238 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.305 -1.893 1.631 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.179 -0.935 0.842 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.026 -2.668 1.220 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.133 -2.133 -0.474 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.321 -0.017 0.034 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.374 -1.174 -1.317 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -8.735 -1.077 -0.175 1.00 0.00 H new ATOM 285 N LYS A 19 -5.883 -4.427 -1.428 1.00 0.00 N ATOM 286 CA LYS A 19 -5.369 -4.731 -2.762 1.00 0.00 C ATOM 287 C LYS A 19 -6.452 -5.351 -3.644 1.00 0.00 C ATOM 288 O LYS A 19 -6.412 -5.230 -4.868 1.00 0.00 O ATOM 289 CB LYS A 19 -4.169 -5.674 -2.671 1.00 0.00 C ATOM 290 CG LYS A 19 -4.474 -6.980 -1.959 1.00 0.00 C ATOM 291 CD LYS A 19 -3.711 -8.143 -2.575 1.00 0.00 C ATOM 292 CE LYS A 19 -4.428 -9.465 -2.350 1.00 0.00 C ATOM 293 NZ LYS A 19 -5.017 -9.999 -3.609 1.00 0.00 N ATOM 0 H LYS A 19 -5.312 -4.786 -0.663 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.052 -3.793 -3.217 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.813 -5.893 -3.678 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.358 -5.166 -2.149 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.213 -6.890 -0.905 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.544 -7.180 -2.006 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.588 -7.973 -3.645 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.711 -8.193 -2.143 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.728 -10.193 -1.940 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.216 -9.329 -1.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.497 -10.901 -3.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.704 -9.316 -3.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.262 -10.153 -4.307 1.00 0.00 H new ATOM 307 N GLU A 20 -7.419 -6.011 -3.014 1.00 0.00 N ATOM 308 CA GLU A 20 -8.511 -6.644 -3.744 1.00 0.00 C ATOM 309 C GLU A 20 -9.505 -5.601 -4.243 1.00 0.00 C ATOM 310 O GLU A 20 -10.086 -5.748 -5.319 1.00 0.00 O ATOM 311 CB GLU A 20 -9.226 -7.662 -2.853 1.00 0.00 C ATOM 312 CG GLU A 20 -8.420 -8.926 -2.606 1.00 0.00 C ATOM 313 CD GLU A 20 -9.172 -9.943 -1.769 1.00 0.00 C ATOM 314 OE1 GLU A 20 -10.398 -10.080 -1.962 1.00 0.00 O ATOM 315 OE2 GLU A 20 -8.534 -10.602 -0.921 1.00 0.00 O ATOM 0 H GLU A 20 -7.468 -6.121 -2.001 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.089 -7.161 -4.606 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.457 -7.195 -1.895 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.176 -7.931 -3.314 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.153 -9.375 -3.563 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.488 -8.666 -2.104 1.00 0.00 H new ATOM 322 N LEU A 21 -9.696 -4.548 -3.455 1.00 0.00 N ATOM 323 CA LEU A 21 -10.620 -3.479 -3.816 1.00 0.00 C ATOM 324 C LEU A 21 -9.913 -2.395 -4.624 1.00 0.00 C ATOM 325 O LEU A 21 -10.523 -1.736 -5.465 1.00 0.00 O ATOM 326 CB LEU A 21 -11.242 -2.869 -2.559 1.00 0.00 C ATOM 327 CG LEU A 21 -12.237 -1.735 -2.813 1.00 0.00 C ATOM 328 CD1 LEU A 21 -13.390 -2.221 -3.676 1.00 0.00 C ATOM 329 CD2 LEU A 21 -12.752 -1.175 -1.495 1.00 0.00 C ATOM 0 H LEU A 21 -9.223 -4.412 -2.562 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.409 -3.909 -4.433 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.748 -3.658 -2.003 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.441 -2.493 -1.922 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.723 -0.937 -3.348 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -14.088 -1.401 -3.846 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.005 -2.574 -4.633 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -13.905 -3.037 -3.169 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -13.459 -0.369 -1.693 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -13.251 -1.965 -0.934 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.916 -0.789 -0.912 1.00 0.00 H new ATOM 341 N PHE A 22 -8.622 -2.218 -4.363 1.00 0.00 N ATOM 342 CA PHE A 22 -7.829 -1.214 -5.066 1.00 0.00 C ATOM 343 C PHE A 22 -7.855 -1.451 -6.575 1.00 0.00 C ATOM 344 O PHE A 22 -7.603 -0.536 -7.358 1.00 0.00 O ATOM 345 CB PHE A 22 -6.385 -1.229 -4.558 1.00 0.00 C ATOM 346 CG PHE A 22 -5.963 0.054 -3.898 1.00 0.00 C ATOM 347 CD1 PHE A 22 -6.835 0.745 -3.070 1.00 0.00 C ATOM 348 CD2 PHE A 22 -4.693 0.569 -4.105 1.00 0.00 C ATOM 349 CE1 PHE A 22 -6.448 1.925 -2.463 1.00 0.00 C ATOM 350 CE2 PHE A 22 -4.301 1.748 -3.501 1.00 0.00 C ATOM 351 CZ PHE A 22 -5.179 2.426 -2.679 1.00 0.00 C ATOM 0 H PHE A 22 -8.102 -2.756 -3.670 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.268 -0.237 -4.866 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -6.267 -2.048 -3.848 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -5.717 -1.434 -5.395 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.828 0.357 -2.897 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.002 0.042 -4.746 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.137 2.454 -1.821 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.309 2.139 -3.672 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.874 3.347 -2.205 1.00 0.00 H new ATOM 361 N SER A 23 -8.158 -2.682 -6.976 1.00 0.00 N ATOM 362 CA SER A 23 -8.212 -3.033 -8.391 1.00 0.00 C ATOM 363 C SER A 23 -9.555 -2.645 -9.005 1.00 0.00 C ATOM 364 O SER A 23 -9.658 -2.440 -10.214 1.00 0.00 O ATOM 365 CB SER A 23 -7.969 -4.532 -8.574 1.00 0.00 C ATOM 366 OG SER A 23 -8.468 -5.268 -7.471 1.00 0.00 O ATOM 0 H SER A 23 -8.370 -3.452 -6.342 1.00 0.00 H new ATOM 0 HA SER A 23 -7.428 -2.477 -8.905 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.451 -4.872 -9.490 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.901 -4.719 -8.687 1.00 0.00 H new ATOM 0 HG SER A 23 -8.302 -6.223 -7.613 1.00 0.00 H new ATOM 372 N GLN A 24 -10.583 -2.550 -8.166 1.00 0.00 N ATOM 373 CA GLN A 24 -11.918 -2.192 -8.633 1.00 0.00 C ATOM 374 C GLN A 24 -12.089 -0.677 -8.709 1.00 0.00 C ATOM 375 O GLN A 24 -12.898 -0.175 -9.490 1.00 0.00 O ATOM 376 CB GLN A 24 -12.980 -2.789 -7.707 1.00 0.00 C ATOM 377 CG GLN A 24 -12.887 -4.300 -7.571 1.00 0.00 C ATOM 378 CD GLN A 24 -13.390 -5.028 -8.802 1.00 0.00 C ATOM 379 OE1 GLN A 24 -12.886 -4.823 -9.907 1.00 0.00 O ATOM 380 NE2 GLN A 24 -14.388 -5.883 -8.617 1.00 0.00 N ATOM 0 H GLN A 24 -10.517 -2.716 -7.162 1.00 0.00 H new ATOM 0 HA GLN A 24 -12.043 -2.601 -9.636 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -12.885 -2.337 -6.720 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -13.968 -2.526 -8.084 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -11.850 -4.581 -7.385 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -13.464 -4.619 -6.703 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -14.775 -6.021 -7.683 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -14.768 -6.402 -9.408 1.00 0.00 H new ATOM 389 N PHE A 25 -11.330 0.047 -7.892 1.00 0.00 N ATOM 390 CA PHE A 25 -11.408 1.504 -7.870 1.00 0.00 C ATOM 391 C PHE A 25 -10.130 2.135 -8.417 1.00 0.00 C ATOM 392 O PHE A 25 -10.158 3.234 -8.971 1.00 0.00 O ATOM 393 CB PHE A 25 -11.668 1.998 -6.444 1.00 0.00 C ATOM 394 CG PHE A 25 -12.905 2.839 -6.317 1.00 0.00 C ATOM 395 CD1 PHE A 25 -14.109 2.412 -6.854 1.00 0.00 C ATOM 396 CD2 PHE A 25 -12.865 4.058 -5.658 1.00 0.00 C ATOM 397 CE1 PHE A 25 -15.249 3.184 -6.738 1.00 0.00 C ATOM 398 CE2 PHE A 25 -14.002 4.835 -5.539 1.00 0.00 C ATOM 399 CZ PHE A 25 -15.195 4.397 -6.080 1.00 0.00 C ATOM 0 H PHE A 25 -10.656 -0.350 -7.238 1.00 0.00 H new ATOM 0 HA PHE A 25 -12.236 1.806 -8.511 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -11.754 1.138 -5.780 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -10.808 2.577 -6.106 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -14.157 1.464 -7.369 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -11.935 4.405 -5.233 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -16.181 2.839 -7.161 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -13.958 5.783 -5.024 1.00 0.00 H new ATOM 0 HZ PHE A 25 -16.085 5.002 -5.989 1.00 0.00 H new ATOM 409 N GLY A 26 -9.011 1.437 -8.254 1.00 0.00 N ATOM 410 CA GLY A 26 -7.741 1.952 -8.734 1.00 0.00 C ATOM 411 C GLY A 26 -7.166 1.127 -9.869 1.00 0.00 C ATOM 412 O GLY A 26 -6.410 1.638 -10.695 1.00 0.00 O ATOM 0 H GLY A 26 -8.960 0.526 -7.799 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -7.874 2.981 -9.069 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.028 1.975 -7.910 1.00 0.00 H new ATOM 416 N LYS A 27 -7.521 -0.153 -9.910 1.00 0.00 N ATOM 417 CA LYS A 27 -7.032 -1.050 -10.952 1.00 0.00 C ATOM 418 C LYS A 27 -5.517 -1.217 -10.858 1.00 0.00 C ATOM 419 O LYS A 27 -4.801 -1.054 -11.846 1.00 0.00 O ATOM 420 CB LYS A 27 -7.416 -0.519 -12.335 1.00 0.00 C ATOM 421 CG LYS A 27 -7.653 -1.614 -13.363 1.00 0.00 C ATOM 422 CD LYS A 27 -8.199 -1.049 -14.664 1.00 0.00 C ATOM 423 CE LYS A 27 -9.092 -2.053 -15.376 1.00 0.00 C ATOM 424 NZ LYS A 27 -10.227 -1.390 -16.076 1.00 0.00 N ATOM 0 H LYS A 27 -8.145 -0.593 -9.234 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.497 -2.025 -10.805 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.319 0.085 -12.245 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.626 0.140 -12.694 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.718 -2.140 -13.558 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.353 -2.346 -12.961 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.764 -0.140 -14.458 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.372 -0.770 -15.316 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.501 -2.617 -16.097 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.481 -2.770 -14.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.811 -2.109 -16.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.807 -0.873 -15.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.857 -0.725 -16.784 1.00 0.00 H new ATOM 438 N VAL A 28 -5.036 -1.544 -9.662 1.00 0.00 N ATOM 439 CA VAL A 28 -3.607 -1.734 -9.436 1.00 0.00 C ATOM 440 C VAL A 28 -3.026 -2.761 -10.404 1.00 0.00 C ATOM 441 O VAL A 28 -3.618 -3.816 -10.635 1.00 0.00 O ATOM 442 CB VAL A 28 -3.325 -2.186 -7.988 1.00 0.00 C ATOM 443 CG1 VAL A 28 -4.017 -3.509 -7.694 1.00 0.00 C ATOM 444 CG2 VAL A 28 -1.827 -2.292 -7.741 1.00 0.00 C ATOM 0 H VAL A 28 -5.615 -1.683 -8.834 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.127 -0.770 -9.608 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.728 -1.434 -7.310 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.805 -3.810 -6.668 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.093 -3.393 -7.824 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.649 -4.272 -8.379 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.649 -2.612 -6.714 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.396 -3.020 -8.428 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.362 -1.320 -7.904 1.00 0.00 H new ATOM 454 N PHE A 29 -1.865 -2.444 -10.967 1.00 0.00 N ATOM 455 CA PHE A 29 -1.203 -3.337 -11.910 1.00 0.00 C ATOM 456 C PHE A 29 -0.245 -4.279 -11.188 1.00 0.00 C ATOM 457 O PHE A 29 -0.184 -5.470 -11.491 1.00 0.00 O ATOM 458 CB PHE A 29 -0.443 -2.527 -12.963 1.00 0.00 C ATOM 459 CG PHE A 29 -1.340 -1.802 -13.925 1.00 0.00 C ATOM 460 CD1 PHE A 29 -2.160 -0.774 -13.488 1.00 0.00 C ATOM 461 CD2 PHE A 29 -1.362 -2.148 -15.266 1.00 0.00 C ATOM 462 CE1 PHE A 29 -2.986 -0.105 -14.371 1.00 0.00 C ATOM 463 CE2 PHE A 29 -2.186 -1.482 -16.154 1.00 0.00 C ATOM 464 CZ PHE A 29 -2.999 -0.459 -15.706 1.00 0.00 C ATOM 0 H PHE A 29 -1.363 -1.575 -10.786 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.969 -3.936 -12.404 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.198 -1.803 -12.460 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.211 -3.196 -13.522 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.153 -0.492 -12.445 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.728 -2.947 -15.622 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.621 0.694 -14.018 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.194 -1.761 -17.197 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.643 0.063 -16.398 1.00 0.00 H new ATOM 474 N ASN A 30 0.502 -3.736 -10.231 1.00 0.00 N ATOM 475 CA ASN A 30 1.457 -4.529 -9.466 1.00 0.00 C ATOM 476 C ASN A 30 1.423 -4.148 -7.989 1.00 0.00 C ATOM 477 O ASN A 30 1.590 -2.981 -7.634 1.00 0.00 O ATOM 478 CB ASN A 30 2.870 -4.340 -10.022 1.00 0.00 C ATOM 479 CG ASN A 30 3.657 -5.635 -10.049 1.00 0.00 C ATOM 480 OD1 ASN A 30 4.696 -5.758 -9.399 1.00 0.00 O ATOM 481 ND2 ASN A 30 3.167 -6.610 -10.805 1.00 0.00 N ATOM 0 H ASN A 30 0.464 -2.751 -9.968 1.00 0.00 H new ATOM 0 HA ASN A 30 1.175 -5.578 -9.558 1.00 0.00 H new ATOM 0 HB2 ASN A 30 2.809 -3.934 -11.032 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.402 -3.607 -9.415 1.00 0.00 H new ATOM 0 HD21 ASN A 30 3.655 -7.504 -10.864 1.00 0.00 H new ATOM 0 HD22 ASN A 30 2.303 -6.465 -11.327 1.00 0.00 H new ATOM 488 N VAL A 31 1.206 -5.141 -7.132 1.00 0.00 N ATOM 489 CA VAL A 31 1.152 -4.911 -5.694 1.00 0.00 C ATOM 490 C VAL A 31 1.930 -5.984 -4.938 1.00 0.00 C ATOM 491 O VAL A 31 1.637 -7.174 -5.054 1.00 0.00 O ATOM 492 CB VAL A 31 -0.303 -4.886 -5.184 1.00 0.00 C ATOM 493 CG1 VAL A 31 -0.987 -6.221 -5.442 1.00 0.00 C ATOM 494 CG2 VAL A 31 -0.347 -4.533 -3.704 1.00 0.00 C ATOM 0 H VAL A 31 1.065 -6.112 -7.409 1.00 0.00 H new ATOM 0 HA VAL A 31 1.609 -3.939 -5.509 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.845 -4.116 -5.734 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.012 -6.181 -5.074 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.993 -6.426 -6.513 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.446 -7.013 -4.924 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.382 -4.521 -3.364 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.213 -5.276 -3.136 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.097 -3.549 -3.551 1.00 0.00 H new ATOM 504 N LYS A 32 2.924 -5.556 -4.167 1.00 0.00 N ATOM 505 CA LYS A 32 3.744 -6.481 -3.394 1.00 0.00 C ATOM 506 C LYS A 32 4.020 -5.932 -1.999 1.00 0.00 C ATOM 507 O LYS A 32 3.589 -4.831 -1.657 1.00 0.00 O ATOM 508 CB LYS A 32 5.064 -6.751 -4.119 1.00 0.00 C ATOM 509 CG LYS A 32 4.884 -7.244 -5.546 1.00 0.00 C ATOM 510 CD LYS A 32 6.210 -7.660 -6.165 1.00 0.00 C ATOM 511 CE LYS A 32 6.310 -9.171 -6.309 1.00 0.00 C ATOM 512 NZ LYS A 32 6.605 -9.836 -5.010 1.00 0.00 N ATOM 0 H LYS A 32 3.181 -4.575 -4.061 1.00 0.00 H new ATOM 0 HA LYS A 32 3.194 -7.416 -3.292 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.656 -5.836 -4.131 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.633 -7.491 -3.557 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.196 -8.089 -5.556 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.431 -6.457 -6.149 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.318 -7.193 -7.144 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.031 -7.298 -5.546 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.374 -9.560 -6.711 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.092 -9.416 -7.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.665 -10.864 -5.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.510 -9.485 -4.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.846 -9.624 -4.331 1.00 0.00 H new ATOM 526 N LEU A 33 4.742 -6.708 -1.196 1.00 0.00 N ATOM 527 CA LEU A 33 5.077 -6.302 0.164 1.00 0.00 C ATOM 528 C LEU A 33 6.461 -6.808 0.556 1.00 0.00 C ATOM 529 O LEU A 33 7.093 -7.559 -0.187 1.00 0.00 O ATOM 530 CB LEU A 33 4.030 -6.827 1.148 1.00 0.00 C ATOM 531 CG LEU A 33 2.662 -6.148 1.063 1.00 0.00 C ATOM 532 CD1 LEU A 33 1.554 -7.132 1.404 1.00 0.00 C ATOM 533 CD2 LEU A 33 2.609 -4.942 1.988 1.00 0.00 C ATOM 0 H LEU A 33 5.106 -7.622 -1.464 1.00 0.00 H new ATOM 0 HA LEU A 33 5.084 -5.213 0.201 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.899 -7.896 0.979 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.415 -6.709 2.161 1.00 0.00 H new ATOM 0 HG LEU A 33 2.511 -5.805 0.040 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.589 -6.630 1.338 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.579 -7.965 0.702 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.699 -7.507 2.417 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.629 -4.470 1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.782 -5.263 3.015 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.378 -4.227 1.697 1.00 0.00 H new ATOM 545 N ILE A 34 6.926 -6.390 1.729 1.00 0.00 N ATOM 546 CA ILE A 34 8.236 -6.800 2.222 1.00 0.00 C ATOM 547 C ILE A 34 8.105 -7.743 3.413 1.00 0.00 C ATOM 548 O ILE A 34 6.998 -8.054 3.853 1.00 0.00 O ATOM 549 CB ILE A 34 9.090 -5.584 2.632 1.00 0.00 C ATOM 550 CG1 ILE A 34 8.401 -4.794 3.747 1.00 0.00 C ATOM 551 CG2 ILE A 34 9.353 -4.692 1.428 1.00 0.00 C ATOM 552 CD1 ILE A 34 8.885 -5.157 5.133 1.00 0.00 C ATOM 0 H ILE A 34 6.415 -5.768 2.356 1.00 0.00 H new ATOM 0 HA ILE A 34 8.732 -7.321 1.403 1.00 0.00 H new ATOM 0 HB ILE A 34 10.046 -5.945 3.010 1.00 0.00 H new ATOM 0 HG12 ILE A 34 8.565 -3.729 3.581 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.326 -4.964 3.690 1.00 0.00 H new ATOM 0 HG21 ILE A 34 9.957 -3.838 1.733 1.00 0.00 H new ATOM 0 HG22 ILE A 34 9.886 -5.259 0.665 1.00 0.00 H new ATOM 0 HG23 ILE A 34 8.405 -4.339 1.022 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.353 -4.558 5.872 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.696 -6.214 5.319 1.00 0.00 H new ATOM 0 HD13 ILE A 34 9.955 -4.961 5.208 1.00 0.00 H new ATOM 564 N TYR A 35 9.242 -8.197 3.931 1.00 0.00 N ATOM 565 CA TYR A 35 9.254 -9.106 5.072 1.00 0.00 C ATOM 566 C TYR A 35 10.039 -8.512 6.237 1.00 0.00 C ATOM 567 O TYR A 35 10.668 -7.462 6.105 1.00 0.00 O ATOM 568 CB TYR A 35 9.857 -10.453 4.669 1.00 0.00 C ATOM 569 CG TYR A 35 9.073 -11.171 3.594 1.00 0.00 C ATOM 570 CD1 TYR A 35 7.918 -11.879 3.905 1.00 0.00 C ATOM 571 CD2 TYR A 35 9.487 -11.140 2.268 1.00 0.00 C ATOM 572 CE1 TYR A 35 7.199 -12.535 2.924 1.00 0.00 C ATOM 573 CE2 TYR A 35 8.772 -11.794 1.283 1.00 0.00 C ATOM 574 CZ TYR A 35 7.630 -12.490 1.616 1.00 0.00 C ATOM 575 OH TYR A 35 6.916 -13.142 0.637 1.00 0.00 O ATOM 0 H TYR A 35 10.167 -7.950 3.579 1.00 0.00 H new ATOM 0 HA TYR A 35 8.224 -9.257 5.394 1.00 0.00 H new ATOM 0 HB2 TYR A 35 10.877 -10.294 4.318 1.00 0.00 H new ATOM 0 HB3 TYR A 35 9.919 -11.092 5.550 1.00 0.00 H new ATOM 0 HD1 TYR A 35 7.577 -11.917 4.929 1.00 0.00 H new ATOM 0 HD2 TYR A 35 10.382 -10.596 2.003 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.303 -13.081 3.181 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.107 -11.760 0.257 1.00 0.00 H new ATOM 0 HH TYR A 35 7.354 -13.010 -0.230 1.00 0.00 H new ATOM 585 N ASP A 36 9.998 -9.193 7.377 1.00 0.00 N ATOM 586 CA ASP A 36 10.706 -8.736 8.569 1.00 0.00 C ATOM 587 C ASP A 36 12.219 -8.885 8.409 1.00 0.00 C ATOM 588 O ASP A 36 12.988 -8.371 9.222 1.00 0.00 O ATOM 589 CB ASP A 36 10.231 -9.516 9.797 1.00 0.00 C ATOM 590 CG ASP A 36 9.841 -8.605 10.945 1.00 0.00 C ATOM 591 OD1 ASP A 36 10.609 -7.666 11.245 1.00 0.00 O ATOM 592 OD2 ASP A 36 8.769 -8.831 11.545 1.00 0.00 O ATOM 0 H ASP A 36 9.482 -10.064 7.502 1.00 0.00 H new ATOM 0 HA ASP A 36 10.483 -7.678 8.706 1.00 0.00 H new ATOM 0 HB2 ASP A 36 9.377 -10.136 9.523 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.022 -10.190 10.124 1.00 0.00 H new ATOM 597 N ARG A 37 12.642 -9.591 7.362 1.00 0.00 N ATOM 598 CA ARG A 37 14.064 -9.806 7.106 1.00 0.00 C ATOM 599 C ARG A 37 14.684 -10.683 8.189 1.00 0.00 C ATOM 600 O ARG A 37 15.853 -10.524 8.540 1.00 0.00 O ATOM 601 CB ARG A 37 14.803 -8.466 7.021 1.00 0.00 C ATOM 602 CG ARG A 37 15.108 -8.031 5.596 1.00 0.00 C ATOM 603 CD ARG A 37 14.630 -6.613 5.328 1.00 0.00 C ATOM 604 NE ARG A 37 15.627 -5.617 5.712 1.00 0.00 N ATOM 605 CZ ARG A 37 16.685 -5.302 4.968 1.00 0.00 C ATOM 606 NH1 ARG A 37 16.889 -5.905 3.803 1.00 0.00 N ATOM 607 NH2 ARG A 37 17.542 -4.382 5.390 1.00 0.00 N ATOM 0 H ARG A 37 12.021 -10.023 6.678 1.00 0.00 H new ATOM 0 HA ARG A 37 14.162 -10.320 6.150 1.00 0.00 H new ATOM 0 HB2 ARG A 37 14.202 -7.697 7.506 1.00 0.00 H new ATOM 0 HB3 ARG A 37 15.737 -8.539 7.578 1.00 0.00 H new ATOM 0 HG2 ARG A 37 16.182 -8.093 5.418 1.00 0.00 H new ATOM 0 HG3 ARG A 37 14.629 -8.715 4.896 1.00 0.00 H new ATOM 0 HD2 ARG A 37 14.397 -6.503 4.269 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.706 -6.432 5.878 1.00 0.00 H new ATOM 0 HE ARG A 37 15.505 -5.135 6.602 1.00 0.00 H new ATOM 0 HH11 ARG A 37 16.233 -6.614 3.474 1.00 0.00 H new ATOM 0 HH12 ARG A 37 17.701 -5.660 3.237 1.00 0.00 H new ATOM 0 HH21 ARG A 37 17.390 -3.916 6.285 1.00 0.00 H new ATOM 0 HH22 ARG A 37 18.353 -4.141 4.820 1.00 0.00 H new ATOM 621 N GLU A 38 13.892 -11.614 8.712 1.00 0.00 N ATOM 622 CA GLU A 38 14.361 -12.523 9.753 1.00 0.00 C ATOM 623 C GLU A 38 13.404 -13.700 9.918 1.00 0.00 C ATOM 624 O GLU A 38 13.832 -14.847 10.048 1.00 0.00 O ATOM 625 CB GLU A 38 14.514 -11.782 11.084 1.00 0.00 C ATOM 626 CG GLU A 38 13.382 -10.811 11.378 1.00 0.00 C ATOM 627 CD GLU A 38 13.478 -10.207 12.765 1.00 0.00 C ATOM 628 OE1 GLU A 38 14.170 -10.796 13.623 1.00 0.00 O ATOM 629 OE2 GLU A 38 12.860 -9.146 12.995 1.00 0.00 O ATOM 0 H GLU A 38 12.922 -11.759 8.432 1.00 0.00 H new ATOM 0 HA GLU A 38 15.335 -12.908 9.450 1.00 0.00 H new ATOM 0 HB2 GLU A 38 14.573 -12.512 11.891 1.00 0.00 H new ATOM 0 HB3 GLU A 38 15.457 -11.236 11.079 1.00 0.00 H new ATOM 0 HG2 GLU A 38 13.392 -10.012 10.636 1.00 0.00 H new ATOM 0 HG3 GLU A 38 12.428 -11.329 11.276 1.00 0.00 H new ATOM 636 N THR A 39 12.106 -13.409 9.909 1.00 0.00 N ATOM 637 CA THR A 39 11.089 -14.446 10.054 1.00 0.00 C ATOM 638 C THR A 39 10.316 -14.653 8.752 1.00 0.00 C ATOM 639 O THR A 39 9.433 -15.508 8.677 1.00 0.00 O ATOM 640 CB THR A 39 10.118 -14.083 11.179 1.00 0.00 C ATOM 641 OG1 THR A 39 9.953 -12.678 11.267 1.00 0.00 O ATOM 642 CG2 THR A 39 10.564 -14.580 12.538 1.00 0.00 C ATOM 0 H THR A 39 11.734 -12.465 9.803 1.00 0.00 H new ATOM 0 HA THR A 39 11.598 -15.378 10.302 1.00 0.00 H new ATOM 0 HB THR A 39 9.180 -14.574 10.920 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.327 -12.467 11.991 1.00 0.00 H new ATOM 0 HG21 THR A 39 9.831 -14.289 13.290 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.651 -15.666 12.518 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.531 -14.143 12.786 1.00 0.00 H new ATOM 650 N LYS A 40 10.647 -13.868 7.728 1.00 0.00 N ATOM 651 CA LYS A 40 9.978 -13.973 6.436 1.00 0.00 C ATOM 652 C LYS A 40 8.497 -13.631 6.562 1.00 0.00 C ATOM 653 O LYS A 40 7.658 -14.185 5.852 1.00 0.00 O ATOM 654 CB LYS A 40 10.145 -15.382 5.863 1.00 0.00 C ATOM 655 CG LYS A 40 11.348 -15.526 4.944 1.00 0.00 C ATOM 656 CD LYS A 40 12.645 -15.628 5.733 1.00 0.00 C ATOM 657 CE LYS A 40 13.626 -14.534 5.339 1.00 0.00 C ATOM 658 NZ LYS A 40 13.512 -13.342 6.224 1.00 0.00 N ATOM 0 H LYS A 40 11.374 -13.154 7.770 1.00 0.00 H new ATOM 0 HA LYS A 40 10.440 -13.258 5.756 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.240 -16.091 6.686 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.243 -15.651 5.313 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.228 -16.414 4.323 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.397 -14.670 4.271 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.430 -15.558 6.799 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.100 -16.604 5.563 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.643 -14.924 5.385 1.00 0.00 H new ATOM 0 HE3 LYS A 40 13.444 -14.238 4.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.302 -12.693 6.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.612 -12.855 6.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.542 -13.644 7.219 1.00 0.00 H new ATOM 672 N LYS A 41 8.183 -12.712 7.470 1.00 0.00 N ATOM 673 CA LYS A 41 6.804 -12.293 7.690 1.00 0.00 C ATOM 674 C LYS A 41 6.604 -10.839 7.264 1.00 0.00 C ATOM 675 O LYS A 41 7.520 -10.023 7.367 1.00 0.00 O ATOM 676 CB LYS A 41 6.425 -12.464 9.163 1.00 0.00 C ATOM 677 CG LYS A 41 5.594 -13.708 9.437 1.00 0.00 C ATOM 678 CD LYS A 41 4.267 -13.362 10.095 1.00 0.00 C ATOM 679 CE LYS A 41 4.472 -12.685 11.440 1.00 0.00 C ATOM 680 NZ LYS A 41 4.648 -13.675 12.539 1.00 0.00 N ATOM 0 H LYS A 41 8.866 -12.243 8.065 1.00 0.00 H new ATOM 0 HA LYS A 41 6.156 -12.924 7.082 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.335 -12.506 9.761 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.868 -11.586 9.491 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.410 -14.236 8.502 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.154 -14.386 10.081 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.695 -12.705 9.439 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.679 -14.270 10.229 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.348 -12.038 11.391 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.616 -12.047 11.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.785 -13.173 13.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.802 -14.277 12.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.480 -14.267 12.343 1.00 0.00 H new ATOM 694 N PRO A 42 5.397 -10.495 6.781 1.00 0.00 N ATOM 695 CA PRO A 42 5.083 -9.131 6.341 1.00 0.00 C ATOM 696 C PRO A 42 5.083 -8.137 7.498 1.00 0.00 C ATOM 697 O PRO A 42 4.233 -8.204 8.386 1.00 0.00 O ATOM 698 CB PRO A 42 3.679 -9.259 5.744 1.00 0.00 C ATOM 699 CG PRO A 42 3.097 -10.469 6.388 1.00 0.00 C ATOM 700 CD PRO A 42 4.248 -11.405 6.627 1.00 0.00 C ATOM 0 HA PRO A 42 5.823 -8.750 5.637 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.079 -8.373 5.953 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.719 -9.369 4.660 1.00 0.00 H new ATOM 0 HG2 PRO A 42 2.602 -10.213 7.324 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.346 -10.930 5.746 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.094 -12.013 7.518 1.00 0.00 H new ATOM 0 HD3 PRO A 42 4.388 -12.092 5.793 1.00 0.00 H new ATOM 708 N LYS A 43 6.041 -7.216 7.480 1.00 0.00 N ATOM 709 CA LYS A 43 6.151 -6.208 8.528 1.00 0.00 C ATOM 710 C LYS A 43 7.171 -5.139 8.148 1.00 0.00 C ATOM 711 O LYS A 43 8.375 -5.394 8.129 1.00 0.00 O ATOM 712 CB LYS A 43 6.548 -6.862 9.853 1.00 0.00 C ATOM 713 CG LYS A 43 6.697 -5.875 11.001 1.00 0.00 C ATOM 714 CD LYS A 43 8.149 -5.468 11.203 1.00 0.00 C ATOM 715 CE LYS A 43 8.562 -5.581 12.662 1.00 0.00 C ATOM 716 NZ LYS A 43 8.352 -4.305 13.400 1.00 0.00 N ATOM 0 H LYS A 43 6.752 -7.147 6.752 1.00 0.00 H new ATOM 0 HA LYS A 43 5.178 -5.731 8.644 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.798 -7.606 10.120 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.490 -7.394 9.718 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.094 -4.989 10.801 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.312 -6.321 11.918 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.793 -6.100 10.591 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.291 -4.443 10.862 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.989 -6.375 13.141 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.613 -5.865 12.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.646 -4.424 14.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.918 -3.552 12.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.345 -4.046 13.366 1.00 0.00 H new ATOM 730 N GLY A 44 6.681 -3.940 7.847 1.00 0.00 N ATOM 731 CA GLY A 44 7.564 -2.851 7.472 1.00 0.00 C ATOM 732 C GLY A 44 6.904 -1.867 6.527 1.00 0.00 C ATOM 733 O GLY A 44 6.587 -0.742 6.914 1.00 0.00 O ATOM 0 H GLY A 44 5.689 -3.704 7.856 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.889 -2.325 8.370 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.458 -3.259 7.000 1.00 0.00 H new ATOM 737 N PHE A 45 6.698 -2.289 5.284 1.00 0.00 N ATOM 738 CA PHE A 45 6.073 -1.435 4.281 1.00 0.00 C ATOM 739 C PHE A 45 5.632 -2.250 3.069 1.00 0.00 C ATOM 740 O PHE A 45 5.834 -3.463 3.017 1.00 0.00 O ATOM 741 CB PHE A 45 7.041 -0.335 3.844 1.00 0.00 C ATOM 742 CG PHE A 45 8.415 -0.843 3.512 1.00 0.00 C ATOM 743 CD1 PHE A 45 9.321 -1.138 4.518 1.00 0.00 C ATOM 744 CD2 PHE A 45 8.800 -1.027 2.193 1.00 0.00 C ATOM 745 CE1 PHE A 45 10.586 -1.606 4.215 1.00 0.00 C ATOM 746 CE2 PHE A 45 10.063 -1.495 1.885 1.00 0.00 C ATOM 747 CZ PHE A 45 10.957 -1.785 2.897 1.00 0.00 C ATOM 0 H PHE A 45 6.955 -3.217 4.947 1.00 0.00 H new ATOM 0 HA PHE A 45 5.191 -0.978 4.729 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.630 0.174 2.972 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.119 0.407 4.639 1.00 0.00 H new ATOM 0 HD1 PHE A 45 9.036 -1.001 5.551 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.105 -0.802 1.397 1.00 0.00 H new ATOM 0 HE1 PHE A 45 11.283 -1.831 5.008 1.00 0.00 H new ATOM 0 HE2 PHE A 45 10.351 -1.634 0.853 1.00 0.00 H new ATOM 0 HZ PHE A 45 11.945 -2.151 2.658 1.00 0.00 H new ATOM 757 N GLY A 46 5.030 -1.574 2.096 1.00 0.00 N ATOM 758 CA GLY A 46 4.570 -2.249 0.897 1.00 0.00 C ATOM 759 C GLY A 46 4.750 -1.406 -0.350 1.00 0.00 C ATOM 760 O GLY A 46 5.311 -0.312 -0.292 1.00 0.00 O ATOM 0 H GLY A 46 4.852 -0.570 2.117 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.115 -3.186 0.780 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.516 -2.505 1.010 1.00 0.00 H new ATOM 764 N PHE A 47 4.274 -1.916 -1.481 1.00 0.00 N ATOM 765 CA PHE A 47 4.386 -1.203 -2.748 1.00 0.00 C ATOM 766 C PHE A 47 3.117 -1.366 -3.579 1.00 0.00 C ATOM 767 O PHE A 47 2.379 -2.339 -3.419 1.00 0.00 O ATOM 768 CB PHE A 47 5.595 -1.711 -3.537 1.00 0.00 C ATOM 769 CG PHE A 47 6.350 -0.623 -4.245 1.00 0.00 C ATOM 770 CD1 PHE A 47 7.146 0.261 -3.535 1.00 0.00 C ATOM 771 CD2 PHE A 47 6.266 -0.486 -5.622 1.00 0.00 C ATOM 772 CE1 PHE A 47 7.843 1.263 -4.183 1.00 0.00 C ATOM 773 CE2 PHE A 47 6.961 0.514 -6.276 1.00 0.00 C ATOM 774 CZ PHE A 47 7.750 1.389 -5.556 1.00 0.00 C ATOM 0 H PHE A 47 3.807 -2.820 -1.546 1.00 0.00 H new ATOM 0 HA PHE A 47 4.521 -0.144 -2.530 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.272 -2.228 -2.856 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.258 -2.444 -4.270 1.00 0.00 H new ATOM 0 HD1 PHE A 47 7.223 0.166 -2.462 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.651 -1.168 -6.190 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.459 1.946 -3.617 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.887 0.611 -7.349 1.00 0.00 H new ATOM 0 HZ PHE A 47 8.294 2.171 -6.065 1.00 0.00 H new ATOM 784 N VAL A 48 2.869 -0.407 -4.465 1.00 0.00 N ATOM 785 CA VAL A 48 1.690 -0.444 -5.322 1.00 0.00 C ATOM 786 C VAL A 48 1.948 0.276 -6.641 1.00 0.00 C ATOM 787 O VAL A 48 2.452 1.399 -6.659 1.00 0.00 O ATOM 788 CB VAL A 48 0.472 0.197 -4.630 1.00 0.00 C ATOM 789 CG1 VAL A 48 -0.786 -0.014 -5.457 1.00 0.00 C ATOM 790 CG2 VAL A 48 0.298 -0.366 -3.227 1.00 0.00 C ATOM 0 H VAL A 48 3.469 0.405 -4.608 1.00 0.00 H new ATOM 0 HA VAL A 48 1.475 -1.494 -5.520 1.00 0.00 H new ATOM 0 HB VAL A 48 0.647 1.270 -4.547 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.635 0.446 -4.951 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.657 0.443 -6.438 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.969 -1.082 -5.575 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.567 0.098 -2.753 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.146 -1.444 -3.284 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.191 -0.156 -2.637 1.00 0.00 H new ATOM 800 N GLU A 49 1.600 -0.379 -7.744 1.00 0.00 N ATOM 801 CA GLU A 49 1.793 0.197 -9.070 1.00 0.00 C ATOM 802 C GLU A 49 0.455 0.538 -9.715 1.00 0.00 C ATOM 803 O GLU A 49 -0.361 -0.344 -9.981 1.00 0.00 O ATOM 804 CB GLU A 49 2.570 -0.774 -9.961 1.00 0.00 C ATOM 805 CG GLU A 49 3.487 -0.084 -10.958 1.00 0.00 C ATOM 806 CD GLU A 49 4.881 -0.679 -10.978 1.00 0.00 C ATOM 807 OE1 GLU A 49 5.723 -0.247 -10.162 1.00 0.00 O ATOM 808 OE2 GLU A 49 5.132 -1.576 -11.810 1.00 0.00 O ATOM 0 H GLU A 49 1.183 -1.310 -7.746 1.00 0.00 H new ATOM 0 HA GLU A 49 2.367 1.117 -8.960 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.164 -1.436 -9.331 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.863 -1.401 -10.504 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.052 -0.154 -11.955 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.552 0.976 -10.713 1.00 0.00 H new ATOM 815 N MET A 50 0.236 1.825 -9.964 1.00 0.00 N ATOM 816 CA MET A 50 -1.004 2.285 -10.578 1.00 0.00 C ATOM 817 C MET A 50 -0.739 3.428 -11.553 1.00 0.00 C ATOM 818 O MET A 50 0.356 3.989 -11.583 1.00 0.00 O ATOM 819 CB MET A 50 -1.993 2.738 -9.503 1.00 0.00 C ATOM 820 CG MET A 50 -2.536 1.598 -8.657 1.00 0.00 C ATOM 821 SD MET A 50 -3.118 2.148 -7.041 1.00 0.00 S ATOM 822 CE MET A 50 -4.764 1.441 -7.019 1.00 0.00 C ATOM 0 H MET A 50 0.901 2.568 -9.750 1.00 0.00 H new ATOM 0 HA MET A 50 -1.435 1.451 -11.132 1.00 0.00 H new ATOM 0 HB2 MET A 50 -1.503 3.461 -8.851 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.826 3.253 -9.981 1.00 0.00 H new ATOM 0 HG2 MET A 50 -3.356 1.115 -9.189 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.757 0.848 -8.522 1.00 0.00 H new ATOM 0 HE1 MET A 50 -5.417 2.059 -6.404 1.00 0.00 H new ATOM 0 HE2 MET A 50 -5.156 1.399 -8.035 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.722 0.434 -6.605 1.00 0.00 H new ATOM 832 N GLN A 51 -1.748 3.766 -12.348 1.00 0.00 N ATOM 833 CA GLN A 51 -1.625 4.842 -13.325 1.00 0.00 C ATOM 834 C GLN A 51 -1.299 6.166 -12.639 1.00 0.00 C ATOM 835 O GLN A 51 -1.178 6.229 -11.416 1.00 0.00 O ATOM 836 CB GLN A 51 -2.917 4.974 -14.135 1.00 0.00 C ATOM 837 CG GLN A 51 -2.687 5.065 -15.635 1.00 0.00 C ATOM 838 CD GLN A 51 -3.099 6.407 -16.209 1.00 0.00 C ATOM 839 OE1 GLN A 51 -2.883 7.451 -15.594 1.00 0.00 O ATOM 840 NE2 GLN A 51 -3.696 6.384 -17.395 1.00 0.00 N ATOM 0 H GLN A 51 -2.661 3.310 -12.335 1.00 0.00 H new ATOM 0 HA GLN A 51 -0.806 4.595 -14.001 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.557 4.117 -13.925 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.455 5.862 -13.804 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.632 4.892 -15.848 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.247 4.274 -16.133 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.855 5.495 -17.869 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.996 7.256 -17.832 1.00 0.00 H new ATOM 849 N GLU A 52 -1.158 7.221 -13.435 1.00 0.00 N ATOM 850 CA GLU A 52 -0.845 8.544 -12.905 1.00 0.00 C ATOM 851 C GLU A 52 -2.112 9.375 -12.726 1.00 0.00 C ATOM 852 O GLU A 52 -2.102 10.590 -12.928 1.00 0.00 O ATOM 853 CB GLU A 52 0.128 9.275 -13.834 1.00 0.00 C ATOM 854 CG GLU A 52 1.194 8.373 -14.438 1.00 0.00 C ATOM 855 CD GLU A 52 1.065 8.242 -15.943 1.00 0.00 C ATOM 856 OE1 GLU A 52 -0.073 8.327 -16.451 1.00 0.00 O ATOM 857 OE2 GLU A 52 2.101 8.055 -16.614 1.00 0.00 O ATOM 0 H GLU A 52 -1.255 7.186 -14.450 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.377 8.412 -11.930 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.437 9.745 -14.640 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.615 10.076 -13.277 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.180 8.769 -14.195 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.127 7.384 -13.984 1.00 0.00 H new ATOM 864 N GLU A 53 -3.200 8.715 -12.346 1.00 0.00 N ATOM 865 CA GLU A 53 -4.474 9.394 -12.139 1.00 0.00 C ATOM 866 C GLU A 53 -5.003 9.142 -10.731 1.00 0.00 C ATOM 867 O GLU A 53 -5.526 10.048 -10.082 1.00 0.00 O ATOM 868 CB GLU A 53 -5.500 8.926 -13.174 1.00 0.00 C ATOM 869 CG GLU A 53 -6.859 9.592 -13.029 1.00 0.00 C ATOM 870 CD GLU A 53 -8.003 8.598 -13.061 1.00 0.00 C ATOM 871 OE1 GLU A 53 -7.843 7.490 -12.506 1.00 0.00 O ATOM 872 OE2 GLU A 53 -9.059 8.927 -13.641 1.00 0.00 O ATOM 0 H GLU A 53 -3.226 7.710 -12.175 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.310 10.465 -12.259 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.112 9.125 -14.173 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.623 7.846 -13.089 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.890 10.145 -12.090 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.991 10.318 -13.831 1.00 0.00 H new ATOM 879 N SER A 54 -4.866 7.905 -10.265 1.00 0.00 N ATOM 880 CA SER A 54 -5.332 7.533 -8.934 1.00 0.00 C ATOM 881 C SER A 54 -4.256 7.788 -7.882 1.00 0.00 C ATOM 882 O SER A 54 -4.562 7.976 -6.706 1.00 0.00 O ATOM 883 CB SER A 54 -5.743 6.060 -8.910 1.00 0.00 C ATOM 884 OG SER A 54 -4.609 5.215 -8.821 1.00 0.00 O ATOM 0 H SER A 54 -4.436 7.143 -10.789 1.00 0.00 H new ATOM 0 HA SER A 54 -6.197 8.152 -8.696 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.404 5.877 -8.063 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.308 5.822 -9.811 1.00 0.00 H new ATOM 0 HG SER A 54 -4.899 4.279 -8.806 1.00 0.00 H new ATOM 890 N VAL A 55 -2.997 7.791 -8.309 1.00 0.00 N ATOM 891 CA VAL A 55 -1.883 8.020 -7.397 1.00 0.00 C ATOM 892 C VAL A 55 -1.918 9.434 -6.822 1.00 0.00 C ATOM 893 O VAL A 55 -1.445 9.674 -5.711 1.00 0.00 O ATOM 894 CB VAL A 55 -0.527 7.795 -8.095 1.00 0.00 C ATOM 895 CG1 VAL A 55 0.618 7.931 -7.104 1.00 0.00 C ATOM 896 CG2 VAL A 55 -0.496 6.433 -8.772 1.00 0.00 C ATOM 0 H VAL A 55 -2.724 7.638 -9.280 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.990 7.300 -6.586 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.404 8.561 -8.861 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.565 7.768 -7.618 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.607 8.931 -6.671 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.503 7.191 -6.312 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.468 6.291 -9.260 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.644 5.652 -8.026 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.290 6.378 -9.516 1.00 0.00 H new ATOM 906 N SER A 56 -2.476 10.367 -7.584 1.00 0.00 N ATOM 907 CA SER A 56 -2.566 11.756 -7.147 1.00 0.00 C ATOM 908 C SER A 56 -3.480 11.892 -5.932 1.00 0.00 C ATOM 909 O SER A 56 -3.132 12.551 -4.952 1.00 0.00 O ATOM 910 CB SER A 56 -3.080 12.638 -8.286 1.00 0.00 C ATOM 911 OG SER A 56 -2.173 12.645 -9.375 1.00 0.00 O ATOM 0 H SER A 56 -2.873 10.188 -8.506 1.00 0.00 H new ATOM 0 HA SER A 56 -1.566 12.084 -6.863 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.052 12.275 -8.621 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.227 13.656 -7.924 1.00 0.00 H new ATOM 0 HG SER A 56 -2.525 13.214 -10.091 1.00 0.00 H new ATOM 917 N GLU A 57 -4.652 11.270 -6.006 1.00 0.00 N ATOM 918 CA GLU A 57 -5.618 11.325 -4.915 1.00 0.00 C ATOM 919 C GLU A 57 -5.406 10.178 -3.931 1.00 0.00 C ATOM 920 O GLU A 57 -5.776 10.276 -2.761 1.00 0.00 O ATOM 921 CB GLU A 57 -7.044 11.280 -5.468 1.00 0.00 C ATOM 922 CG GLU A 57 -7.987 12.265 -4.796 1.00 0.00 C ATOM 923 CD GLU A 57 -9.404 12.167 -5.324 1.00 0.00 C ATOM 924 OE1 GLU A 57 -9.577 12.144 -6.561 1.00 0.00 O ATOM 925 OE2 GLU A 57 -10.342 12.113 -4.501 1.00 0.00 O ATOM 0 H GLU A 57 -4.956 10.722 -6.811 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.468 12.264 -4.382 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.017 11.487 -6.538 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.440 10.271 -5.349 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.990 12.084 -3.721 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.616 13.279 -4.947 1.00 0.00 H new ATOM 932 N ALA A 58 -4.815 9.088 -4.413 1.00 0.00 N ATOM 933 CA ALA A 58 -4.561 7.919 -3.578 1.00 0.00 C ATOM 934 C ALA A 58 -3.862 8.301 -2.278 1.00 0.00 C ATOM 935 O ALA A 58 -4.236 7.837 -1.208 1.00 0.00 O ATOM 936 CB ALA A 58 -3.732 6.897 -4.341 1.00 0.00 C ATOM 0 H ALA A 58 -4.503 8.991 -5.379 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.524 7.478 -3.321 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.550 6.030 -3.706 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.272 6.585 -5.235 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.780 7.343 -4.629 1.00 0.00 H new ATOM 942 N ILE A 59 -2.846 9.149 -2.382 1.00 0.00 N ATOM 943 CA ILE A 59 -2.093 9.596 -1.214 1.00 0.00 C ATOM 944 C ILE A 59 -2.704 10.866 -0.624 1.00 0.00 C ATOM 945 O ILE A 59 -2.587 11.131 0.573 1.00 0.00 O ATOM 946 CB ILE A 59 -0.614 9.860 -1.578 1.00 0.00 C ATOM 947 CG1 ILE A 59 0.010 8.609 -2.201 1.00 0.00 C ATOM 948 CG2 ILE A 59 0.184 10.295 -0.355 1.00 0.00 C ATOM 949 CD1 ILE A 59 0.102 8.665 -3.710 1.00 0.00 C ATOM 0 H ILE A 59 -2.523 9.543 -3.266 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.140 8.800 -0.471 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.585 10.671 -2.306 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.009 8.468 -1.789 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.579 7.738 -1.913 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.220 10.474 -0.641 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.243 11.212 0.051 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.147 9.511 0.402 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.554 7.745 -4.081 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.897 8.774 -4.132 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.716 9.516 -4.006 1.00 0.00 H new ATOM 961 N ALA A 60 -3.345 11.651 -1.480 1.00 0.00 N ATOM 962 CA ALA A 60 -3.965 12.906 -1.070 1.00 0.00 C ATOM 963 C ALA A 60 -4.906 12.738 0.122 1.00 0.00 C ATOM 964 O ALA A 60 -4.729 13.382 1.156 1.00 0.00 O ATOM 965 CB ALA A 60 -4.721 13.511 -2.241 1.00 0.00 C ATOM 0 H ALA A 60 -3.450 11.439 -2.472 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.163 13.573 -0.754 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.183 14.448 -1.931 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.029 13.701 -3.061 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.494 12.818 -2.572 1.00 0.00 H new ATOM 971 N LYS A 61 -5.921 11.896 -0.037 1.00 0.00 N ATOM 972 CA LYS A 61 -6.906 11.680 1.020 1.00 0.00 C ATOM 973 C LYS A 61 -6.516 10.540 1.957 1.00 0.00 C ATOM 974 O LYS A 61 -7.123 10.371 3.015 1.00 0.00 O ATOM 975 CB LYS A 61 -8.278 11.395 0.407 1.00 0.00 C ATOM 976 CG LYS A 61 -9.041 12.650 0.011 1.00 0.00 C ATOM 977 CD LYS A 61 -8.359 13.378 -1.136 1.00 0.00 C ATOM 978 CE LYS A 61 -9.337 14.260 -1.895 1.00 0.00 C ATOM 979 NZ LYS A 61 -9.494 15.595 -1.254 1.00 0.00 N ATOM 0 H LYS A 61 -6.084 11.353 -0.885 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.944 12.593 1.614 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.150 10.765 -0.473 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.875 10.827 1.121 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.057 12.383 -0.279 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.119 13.316 0.870 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.543 13.988 -0.748 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.917 12.652 -1.818 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.990 14.388 -2.920 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.307 13.766 -1.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.169 16.166 -1.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.850 15.475 -0.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.573 16.078 -1.228 1.00 0.00 H new ATOM 993 N LEU A 62 -5.522 9.749 1.572 1.00 0.00 N ATOM 994 CA LEU A 62 -5.097 8.625 2.399 1.00 0.00 C ATOM 995 C LEU A 62 -4.005 9.026 3.386 1.00 0.00 C ATOM 996 O LEU A 62 -4.258 9.161 4.583 1.00 0.00 O ATOM 997 CB LEU A 62 -4.607 7.480 1.518 1.00 0.00 C ATOM 998 CG LEU A 62 -5.701 6.762 0.724 1.00 0.00 C ATOM 999 CD1 LEU A 62 -5.130 5.546 0.011 1.00 0.00 C ATOM 1000 CD2 LEU A 62 -6.848 6.356 1.637 1.00 0.00 C ATOM 0 H LEU A 62 -5.000 9.862 0.703 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.962 8.297 2.976 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.868 7.870 0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.097 6.750 2.147 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.089 7.451 -0.026 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.921 5.047 -0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.344 5.862 -0.675 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.714 4.856 0.745 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.615 5.847 1.053 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.477 5.685 2.411 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.275 7.245 2.101 1.00 0.00 H new ATOM 1012 N ASP A 63 -2.787 9.198 2.881 1.00 0.00 N ATOM 1013 CA ASP A 63 -1.651 9.565 3.722 1.00 0.00 C ATOM 1014 C ASP A 63 -2.000 10.711 4.672 1.00 0.00 C ATOM 1015 O ASP A 63 -2.576 11.719 4.263 1.00 0.00 O ATOM 1016 CB ASP A 63 -0.439 9.924 2.848 1.00 0.00 C ATOM 1017 CG ASP A 63 -0.196 11.420 2.734 1.00 0.00 C ATOM 1018 OD1 ASP A 63 -1.118 12.141 2.296 1.00 0.00 O ATOM 1019 OD2 ASP A 63 0.916 11.869 3.083 1.00 0.00 O ATOM 0 H ASP A 63 -2.561 9.089 1.892 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.395 8.703 4.338 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.451 9.450 3.262 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.585 9.511 1.850 1.00 0.00 H new ATOM 1024 N ASN A 64 -1.643 10.544 5.942 1.00 0.00 N ATOM 1025 CA ASN A 64 -1.912 11.556 6.957 1.00 0.00 C ATOM 1026 C ASN A 64 -1.398 11.104 8.320 1.00 0.00 C ATOM 1027 O ASN A 64 -0.451 11.676 8.859 1.00 0.00 O ATOM 1028 CB ASN A 64 -3.412 11.848 7.036 1.00 0.00 C ATOM 1029 CG ASN A 64 -3.705 13.321 7.244 1.00 0.00 C ATOM 1030 OD1 ASN A 64 -4.596 13.885 6.610 1.00 0.00 O ATOM 1031 ND2 ASN A 64 -2.952 13.953 8.138 1.00 0.00 N ATOM 0 H ASN A 64 -1.165 9.714 6.293 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.388 12.469 6.672 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -3.894 11.511 6.118 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.848 11.275 7.854 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.102 14.945 8.321 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -2.224 13.446 8.641 1.00 0.00 H new ATOM 1038 N THR A 65 -2.029 10.072 8.870 1.00 0.00 N ATOM 1039 CA THR A 65 -1.636 9.539 10.170 1.00 0.00 C ATOM 1040 C THR A 65 -1.608 8.013 10.142 1.00 0.00 C ATOM 1041 O THR A 65 -1.661 7.401 9.075 1.00 0.00 O ATOM 1042 CB THR A 65 -2.596 10.026 11.260 1.00 0.00 C ATOM 1043 OG1 THR A 65 -3.446 11.046 10.764 1.00 0.00 O ATOM 1044 CG2 THR A 65 -1.887 10.573 12.479 1.00 0.00 C ATOM 0 H THR A 65 -2.815 9.588 8.436 1.00 0.00 H new ATOM 0 HA THR A 65 -0.633 9.901 10.396 1.00 0.00 H new ATOM 0 HB THR A 65 -3.168 9.146 11.555 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.052 11.341 11.475 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.624 10.900 13.212 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.262 9.795 12.916 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.264 11.419 12.188 1.00 0.00 H new ATOM 1052 N ASP A 66 -1.526 7.405 11.321 1.00 0.00 N ATOM 1053 CA ASP A 66 -1.493 5.951 11.430 1.00 0.00 C ATOM 1054 C ASP A 66 -2.811 5.417 11.982 1.00 0.00 C ATOM 1055 O ASP A 66 -3.140 5.633 13.148 1.00 0.00 O ATOM 1056 CB ASP A 66 -0.335 5.512 12.328 1.00 0.00 C ATOM 1057 CG ASP A 66 0.989 5.481 11.590 1.00 0.00 C ATOM 1058 OD1 ASP A 66 1.113 6.180 10.563 1.00 0.00 O ATOM 1059 OD2 ASP A 66 1.903 4.757 12.040 1.00 0.00 O ATOM 0 H ASP A 66 -1.481 7.896 12.214 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.345 5.540 10.431 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.259 6.192 13.177 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.547 4.522 12.731 1.00 0.00 H new ATOM 1064 N PHE A 67 -3.562 4.720 11.135 1.00 0.00 N ATOM 1065 CA PHE A 67 -4.846 4.157 11.538 1.00 0.00 C ATOM 1066 C PHE A 67 -4.938 2.682 11.159 1.00 0.00 C ATOM 1067 O PHE A 67 -3.937 2.057 10.809 1.00 0.00 O ATOM 1068 CB PHE A 67 -5.993 4.939 10.894 1.00 0.00 C ATOM 1069 CG PHE A 67 -6.921 5.572 11.891 1.00 0.00 C ATOM 1070 CD1 PHE A 67 -6.602 6.785 12.480 1.00 0.00 C ATOM 1071 CD2 PHE A 67 -8.109 4.952 12.241 1.00 0.00 C ATOM 1072 CE1 PHE A 67 -7.453 7.369 13.399 1.00 0.00 C ATOM 1073 CE2 PHE A 67 -8.964 5.532 13.160 1.00 0.00 C ATOM 1074 CZ PHE A 67 -8.635 6.742 13.740 1.00 0.00 C ATOM 0 H PHE A 67 -3.304 4.532 10.166 1.00 0.00 H new ATOM 0 HA PHE A 67 -4.927 4.237 12.622 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -5.577 5.716 10.252 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -6.565 4.268 10.253 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -5.678 7.279 12.218 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -8.370 4.005 11.791 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -7.194 8.315 13.850 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -9.888 5.040 13.424 1.00 0.00 H new ATOM 0 HZ PHE A 67 -9.301 7.196 14.459 1.00 0.00 H new ATOM 1084 N MET A 68 -6.145 2.131 11.233 1.00 0.00 N ATOM 1085 CA MET A 68 -6.369 0.729 10.899 1.00 0.00 C ATOM 1086 C MET A 68 -6.626 0.560 9.405 1.00 0.00 C ATOM 1087 O MET A 68 -7.652 0.014 8.997 1.00 0.00 O ATOM 1088 CB MET A 68 -7.549 0.176 11.702 1.00 0.00 C ATOM 1089 CG MET A 68 -7.219 -0.092 13.161 1.00 0.00 C ATOM 1090 SD MET A 68 -6.854 -1.828 13.483 1.00 0.00 S ATOM 1091 CE MET A 68 -6.386 -1.762 15.210 1.00 0.00 C ATOM 0 H MET A 68 -6.984 2.634 11.522 1.00 0.00 H new ATOM 0 HA MET A 68 -5.470 0.169 11.157 1.00 0.00 H new ATOM 0 HB2 MET A 68 -8.377 0.883 11.649 1.00 0.00 H new ATOM 0 HB3 MET A 68 -7.891 -0.750 11.239 1.00 0.00 H new ATOM 0 HG2 MET A 68 -6.363 0.516 13.453 1.00 0.00 H new ATOM 0 HG3 MET A 68 -8.058 0.220 13.783 1.00 0.00 H new ATOM 0 HE1 MET A 68 -6.131 -2.764 15.556 1.00 0.00 H new ATOM 0 HE2 MET A 68 -5.523 -1.106 15.328 1.00 0.00 H new ATOM 0 HE3 MET A 68 -7.219 -1.376 15.798 1.00 0.00 H new ATOM 1101 N GLY A 69 -5.687 1.031 8.591 1.00 0.00 N ATOM 1102 CA GLY A 69 -5.829 0.922 7.152 1.00 0.00 C ATOM 1103 C GLY A 69 -6.764 1.970 6.580 1.00 0.00 C ATOM 1104 O GLY A 69 -7.460 1.720 5.596 1.00 0.00 O ATOM 0 H GLY A 69 -4.830 1.487 8.903 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -4.849 1.020 6.685 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -6.204 -0.070 6.901 1.00 0.00 H new ATOM 1108 N ARG A 70 -6.780 3.146 7.199 1.00 0.00 N ATOM 1109 CA ARG A 70 -7.637 4.235 6.746 1.00 0.00 C ATOM 1110 C ARG A 70 -6.811 5.358 6.126 1.00 0.00 C ATOM 1111 O ARG A 70 -7.283 6.074 5.243 1.00 0.00 O ATOM 1112 CB ARG A 70 -8.467 4.777 7.913 1.00 0.00 C ATOM 1113 CG ARG A 70 -9.916 4.318 7.893 1.00 0.00 C ATOM 1114 CD ARG A 70 -10.024 2.802 7.848 1.00 0.00 C ATOM 1115 NE ARG A 70 -10.643 2.333 6.611 1.00 0.00 N ATOM 1116 CZ ARG A 70 -11.955 2.342 6.388 1.00 0.00 C ATOM 1117 NH1 ARG A 70 -12.790 2.800 7.313 1.00 0.00 N ATOM 1118 NH2 ARG A 70 -12.435 1.893 5.236 1.00 0.00 N ATOM 0 H ARG A 70 -6.210 3.369 8.015 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.309 3.842 5.983 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.008 4.464 8.851 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.439 5.866 7.893 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.429 4.693 8.778 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -10.421 4.745 7.027 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.030 2.365 7.944 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -10.609 2.455 8.700 1.00 0.00 H new ATOM 0 HE ARG A 70 -10.034 1.977 5.874 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.427 3.148 8.201 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -13.795 2.804 7.136 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -11.799 1.541 4.521 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -13.441 1.900 5.065 1.00 0.00 H new ATOM 1132 N THR A 71 -5.575 5.507 6.592 1.00 0.00 N ATOM 1133 CA THR A 71 -4.685 6.544 6.079 1.00 0.00 C ATOM 1134 C THR A 71 -3.270 6.004 5.887 1.00 0.00 C ATOM 1135 O THR A 71 -2.775 5.926 4.763 1.00 0.00 O ATOM 1136 CB THR A 71 -4.669 7.757 7.020 1.00 0.00 C ATOM 1137 OG1 THR A 71 -3.481 8.511 6.850 1.00 0.00 O ATOM 1138 CG2 THR A 71 -4.773 7.394 8.488 1.00 0.00 C ATOM 0 H THR A 71 -5.167 4.924 7.323 1.00 0.00 H new ATOM 0 HA THR A 71 -5.064 6.861 5.108 1.00 0.00 H new ATOM 0 HB THR A 71 -5.551 8.335 6.746 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.375 8.746 5.904 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.755 8.303 9.090 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.706 6.860 8.665 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.932 6.758 8.766 1.00 0.00 H new ATOM 1146 N ILE A 72 -2.622 5.635 6.989 1.00 0.00 N ATOM 1147 CA ILE A 72 -1.265 5.107 6.934 1.00 0.00 C ATOM 1148 C ILE A 72 -0.309 6.122 6.318 1.00 0.00 C ATOM 1149 O ILE A 72 -0.732 7.037 5.612 1.00 0.00 O ATOM 1150 CB ILE A 72 -1.201 3.799 6.121 1.00 0.00 C ATOM 1151 CG1 ILE A 72 -2.290 2.829 6.585 1.00 0.00 C ATOM 1152 CG2 ILE A 72 0.174 3.161 6.250 1.00 0.00 C ATOM 1153 CD1 ILE A 72 -2.597 1.740 5.581 1.00 0.00 C ATOM 0 H ILE A 72 -3.015 5.692 7.928 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.963 4.901 7.961 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.374 4.034 5.071 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.980 2.370 7.524 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.202 3.390 6.790 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.203 2.238 5.670 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.931 3.849 5.875 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.375 2.937 7.298 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.377 1.090 5.977 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.938 2.190 4.649 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.697 1.154 5.393 1.00 0.00 H new ATOM 1165 N ARG A 73 0.981 5.957 6.587 1.00 0.00 N ATOM 1166 CA ARG A 73 1.992 6.863 6.055 1.00 0.00 C ATOM 1167 C ARG A 73 2.381 6.463 4.636 1.00 0.00 C ATOM 1168 O ARG A 73 3.423 5.845 4.418 1.00 0.00 O ATOM 1169 CB ARG A 73 3.228 6.868 6.955 1.00 0.00 C ATOM 1170 CG ARG A 73 3.140 7.860 8.105 1.00 0.00 C ATOM 1171 CD ARG A 73 4.284 8.860 8.071 1.00 0.00 C ATOM 1172 NE ARG A 73 3.905 10.148 8.648 1.00 0.00 N ATOM 1173 CZ ARG A 73 4.780 11.071 9.040 1.00 0.00 C ATOM 1174 NH1 ARG A 73 6.084 10.853 8.918 1.00 0.00 N ATOM 1175 NH2 ARG A 73 4.351 12.215 9.555 1.00 0.00 N ATOM 0 H ARG A 73 1.351 5.206 7.169 1.00 0.00 H new ATOM 0 HA ARG A 73 1.570 7.868 6.029 1.00 0.00 H new ATOM 0 HB2 ARG A 73 3.376 5.867 7.360 1.00 0.00 H new ATOM 0 HB3 ARG A 73 4.105 7.101 6.352 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.190 8.392 8.055 1.00 0.00 H new ATOM 0 HG3 ARG A 73 3.155 7.321 9.053 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.136 8.455 8.618 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.607 9.006 7.040 1.00 0.00 H new ATOM 0 HE ARG A 73 2.911 10.352 8.757 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.419 9.975 8.522 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.750 11.564 9.220 1.00 0.00 H new ATOM 0 HH21 ARG A 73 3.350 12.388 9.651 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.022 12.922 9.855 1.00 0.00 H new ATOM 1189 N VAL A 74 1.536 6.819 3.674 1.00 0.00 N ATOM 1190 CA VAL A 74 1.790 6.495 2.276 1.00 0.00 C ATOM 1191 C VAL A 74 2.323 7.706 1.517 1.00 0.00 C ATOM 1192 O VAL A 74 2.060 8.850 1.888 1.00 0.00 O ATOM 1193 CB VAL A 74 0.514 5.979 1.579 1.00 0.00 C ATOM 1194 CG1 VAL A 74 -0.563 7.053 1.554 1.00 0.00 C ATOM 1195 CG2 VAL A 74 0.831 5.497 0.171 1.00 0.00 C ATOM 0 H VAL A 74 0.670 7.332 3.837 1.00 0.00 H new ATOM 0 HA VAL A 74 2.543 5.707 2.265 1.00 0.00 H new ATOM 0 HB VAL A 74 0.132 5.134 2.151 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.452 6.665 1.058 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.814 7.341 2.575 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.196 7.924 1.011 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.081 5.137 -0.304 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.243 6.321 -0.412 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.559 4.687 0.219 1.00 0.00 H new ATOM 1205 N THR A 75 3.075 7.447 0.452 1.00 0.00 N ATOM 1206 CA THR A 75 3.645 8.517 -0.358 1.00 0.00 C ATOM 1207 C THR A 75 4.231 7.967 -1.654 1.00 0.00 C ATOM 1208 O THR A 75 4.494 6.771 -1.770 1.00 0.00 O ATOM 1209 CB THR A 75 4.726 9.260 0.428 1.00 0.00 C ATOM 1210 OG1 THR A 75 5.306 10.284 -0.361 1.00 0.00 O ATOM 1211 CG2 THR A 75 5.845 8.359 0.905 1.00 0.00 C ATOM 0 H THR A 75 3.303 6.506 0.130 1.00 0.00 H new ATOM 0 HA THR A 75 2.844 9.213 -0.609 1.00 0.00 H new ATOM 0 HB THR A 75 4.217 9.673 1.299 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.994 10.749 0.160 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.578 8.949 1.455 1.00 0.00 H new ATOM 0 HG22 THR A 75 5.437 7.587 1.557 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.327 7.891 0.046 1.00 0.00 H new ATOM 1219 N GLU A 76 4.432 8.850 -2.627 1.00 0.00 N ATOM 1220 CA GLU A 76 4.986 8.456 -3.917 1.00 0.00 C ATOM 1221 C GLU A 76 6.387 7.876 -3.753 1.00 0.00 C ATOM 1222 O GLU A 76 7.241 8.468 -3.092 1.00 0.00 O ATOM 1223 CB GLU A 76 5.025 9.654 -4.866 1.00 0.00 C ATOM 1224 CG GLU A 76 3.748 10.480 -4.856 1.00 0.00 C ATOM 1225 CD GLU A 76 3.998 11.939 -4.527 1.00 0.00 C ATOM 1226 OE1 GLU A 76 4.134 12.262 -3.328 1.00 0.00 O ATOM 1227 OE2 GLU A 76 4.057 12.758 -5.467 1.00 0.00 O ATOM 0 H GLU A 76 4.219 9.844 -2.546 1.00 0.00 H new ATOM 0 HA GLU A 76 4.341 7.686 -4.341 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.864 10.294 -4.595 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.210 9.298 -5.880 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.266 10.409 -5.831 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.055 10.061 -4.127 1.00 0.00 H new ATOM 1234 N ALA A 77 6.617 6.716 -4.360 1.00 0.00 N ATOM 1235 CA ALA A 77 7.914 6.056 -4.282 1.00 0.00 C ATOM 1236 C ALA A 77 9.000 6.901 -4.939 1.00 0.00 C ATOM 1237 O ALA A 77 10.175 6.775 -4.532 1.00 0.00 O ATOM 1238 CB ALA A 77 7.847 4.683 -4.932 1.00 0.00 C ATOM 0 H ALA A 77 5.921 6.214 -4.911 1.00 0.00 H new ATOM 0 HA ALA A 77 8.170 5.936 -3.229 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.823 4.201 -4.867 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.106 4.072 -4.417 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.565 4.790 -5.979 1.00 0.00 H new