USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 569 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 3 GLN : amide:sc= -2.03 K(o=-2,f=-1.3) USER MOD Set 1.2: A 6 SER OG : rot 117:sc= 0.0144 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -124:sc= -0.0398 (180deg=-0.467) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -150:sc= -1.14 USER MOD Single : A 16 TYR OH : rot 30:sc= -1.08 USER MOD Single : A 19 GLN : amide:sc=-0.00876 K(o=-0.0088,f=-1.3) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -3.55! C(o=-3.5!,f=-22!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -4.67! C(o=-4.7!,f=-8.7!) USER MOD Single : A 57 THR OG1 : rot 31:sc= 0.553 USER MOD Single : A 58 ASN : amide:sc= -3.25! K(o=-3.3!,f=-1.9) USER MOD Single : A 59 ASN : amide:sc= -1.01 K(o=-1,f=-2.2) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.152 6.807 -4.316 1.00 0.00 N ATOM 2 CA MET A 1 -8.173 7.419 -3.371 1.00 0.00 C ATOM 3 C MET A 1 -8.021 6.544 -2.126 1.00 0.00 C ATOM 4 O MET A 1 -8.990 6.036 -1.592 1.00 0.00 O ATOM 5 CB MET A 1 -8.773 8.777 -3.004 1.00 0.00 C ATOM 6 CG MET A 1 -8.609 9.743 -4.179 1.00 0.00 C ATOM 7 SD MET A 1 -9.380 11.328 -3.768 1.00 0.00 S ATOM 8 CE MET A 1 -10.193 11.604 -5.361 1.00 0.00 C ATOM 0 H1 MET A 1 -8.702 6.674 -5.244 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.462 5.886 -3.946 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.975 7.434 -4.418 1.00 0.00 H new ATOM 0 HA MET A 1 -7.181 7.518 -3.811 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.829 8.665 -2.756 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.279 9.177 -2.119 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.552 9.887 -4.400 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.068 9.324 -5.075 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.739 12.547 -5.332 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.442 11.644 -6.150 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.887 10.788 -5.561 1.00 0.00 H new ATOM 20 N VAL A 2 -6.814 6.388 -1.643 1.00 0.00 N ATOM 21 CA VAL A 2 -6.592 5.574 -0.410 1.00 0.00 C ATOM 22 C VAL A 2 -6.686 6.466 0.831 1.00 0.00 C ATOM 23 O VAL A 2 -6.656 7.679 0.737 1.00 0.00 O ATOM 24 CB VAL A 2 -5.180 4.998 -0.559 1.00 0.00 C ATOM 25 CG1 VAL A 2 -4.846 4.128 0.656 1.00 0.00 C ATOM 26 CG2 VAL A 2 -5.105 4.141 -1.826 1.00 0.00 C ATOM 0 H VAL A 2 -5.971 6.791 -2.051 1.00 0.00 H new ATOM 0 HA VAL A 2 -7.337 4.787 -0.293 1.00 0.00 H new ATOM 0 HB VAL A 2 -4.466 5.819 -0.628 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.841 3.720 0.546 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -4.895 4.733 1.561 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -5.564 3.311 0.726 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -4.100 3.732 -1.930 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -5.823 3.324 -1.756 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -5.338 4.756 -2.695 1.00 0.00 H new ATOM 36 N GLN A 3 -6.775 5.872 1.994 1.00 0.00 N ATOM 37 CA GLN A 3 -6.842 6.677 3.251 1.00 0.00 C ATOM 38 C GLN A 3 -5.637 6.367 4.143 1.00 0.00 C ATOM 39 O GLN A 3 -5.002 5.338 4.005 1.00 0.00 O ATOM 40 CB GLN A 3 -8.139 6.241 3.932 1.00 0.00 C ATOM 41 CG GLN A 3 -9.330 6.591 3.036 1.00 0.00 C ATOM 42 CD GLN A 3 -9.689 5.383 2.168 1.00 0.00 C ATOM 43 OE1 GLN A 3 -10.061 4.345 2.677 1.00 0.00 O ATOM 44 NE2 GLN A 3 -9.594 5.477 0.870 1.00 0.00 N ATOM 0 H GLN A 3 -6.804 4.861 2.127 1.00 0.00 H new ATOM 0 HA GLN A 3 -6.825 7.749 3.056 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -8.118 5.168 4.124 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -8.239 6.736 4.898 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -10.185 6.880 3.647 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -9.085 7.445 2.405 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -9.281 6.349 0.443 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -9.832 4.678 0.282 1.00 0.00 H new ATOM 53 N ARG A 4 -5.363 7.218 5.100 1.00 0.00 N ATOM 54 CA ARG A 4 -4.249 6.941 6.058 1.00 0.00 C ATOM 55 C ARG A 4 -4.612 5.759 6.961 1.00 0.00 C ATOM 56 O ARG A 4 -5.492 5.853 7.796 1.00 0.00 O ATOM 57 CB ARG A 4 -4.101 8.221 6.883 1.00 0.00 C ATOM 58 CG ARG A 4 -2.738 8.224 7.579 1.00 0.00 C ATOM 59 CD ARG A 4 -2.726 9.291 8.677 1.00 0.00 C ATOM 60 NE ARG A 4 -2.089 10.490 8.049 1.00 0.00 N ATOM 61 CZ ARG A 4 -1.550 11.446 8.781 1.00 0.00 C ATOM 62 NH1 ARG A 4 -1.588 11.412 10.093 1.00 0.00 N ATOM 63 NH2 ARG A 4 -0.967 12.451 8.187 1.00 0.00 N ATOM 0 H ARG A 4 -5.863 8.093 5.259 1.00 0.00 H new ATOM 0 HA ARG A 4 -3.322 6.679 5.547 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -4.194 9.095 6.238 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -4.899 8.284 7.623 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -2.535 7.243 8.009 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -1.949 8.424 6.855 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -3.736 9.515 9.020 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -2.162 8.955 9.547 1.00 0.00 H new ATOM 0 HE ARG A 4 -2.071 10.570 7.032 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -2.042 10.633 10.570 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -1.163 12.164 10.635 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -0.932 12.491 7.168 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -0.546 13.197 8.741 1.00 0.00 H new ATOM 77 N GLY A 5 -3.955 4.641 6.779 1.00 0.00 N ATOM 78 CA GLY A 5 -4.274 3.438 7.602 1.00 0.00 C ATOM 79 C GLY A 5 -5.243 2.534 6.837 1.00 0.00 C ATOM 80 O GLY A 5 -6.009 1.794 7.425 1.00 0.00 O ATOM 0 H GLY A 5 -3.210 4.511 6.094 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -3.360 2.892 7.836 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -4.716 3.741 8.551 1.00 0.00 H new ATOM 84 N SER A 6 -5.176 2.551 5.528 1.00 0.00 N ATOM 85 CA SER A 6 -6.049 1.651 4.717 1.00 0.00 C ATOM 86 C SER A 6 -5.316 0.342 4.411 1.00 0.00 C ATOM 87 O SER A 6 -4.356 -0.009 5.068 1.00 0.00 O ATOM 88 CB SER A 6 -6.325 2.425 3.429 1.00 0.00 C ATOM 89 OG SER A 6 -7.662 2.177 3.010 1.00 0.00 O ATOM 0 H SER A 6 -4.553 3.151 4.987 1.00 0.00 H new ATOM 0 HA SER A 6 -6.969 1.386 5.238 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.175 3.492 3.593 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.625 2.120 2.651 1.00 0.00 H new ATOM 0 HG SER A 6 -8.169 3.016 3.019 1.00 0.00 H new ATOM 95 N LYS A 7 -5.747 -0.364 3.394 1.00 0.00 N ATOM 96 CA LYS A 7 -5.058 -1.634 3.013 1.00 0.00 C ATOM 97 C LYS A 7 -5.155 -1.853 1.501 1.00 0.00 C ATOM 98 O LYS A 7 -6.185 -2.251 0.988 1.00 0.00 O ATOM 99 CB LYS A 7 -5.811 -2.733 3.764 1.00 0.00 C ATOM 100 CG LYS A 7 -5.191 -2.921 5.151 1.00 0.00 C ATOM 101 CD LYS A 7 -5.281 -4.394 5.555 1.00 0.00 C ATOM 102 CE LYS A 7 -5.483 -4.497 7.069 1.00 0.00 C ATOM 103 NZ LYS A 7 -6.953 -4.648 7.250 1.00 0.00 N ATOM 0 H LYS A 7 -6.547 -0.115 2.812 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.998 -1.622 3.265 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.864 -2.468 3.858 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.766 -3.667 3.204 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.150 -2.598 5.142 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.711 -2.300 5.881 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.108 -4.875 5.033 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.371 -4.919 5.262 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.944 -5.350 7.482 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.111 -3.608 7.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.172 -4.725 8.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.439 -3.818 6.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.277 -5.506 6.760 1.00 0.00 H new ATOM 117 N VAL A 8 -4.079 -1.626 0.791 1.00 0.00 N ATOM 118 CA VAL A 8 -4.088 -1.850 -0.687 1.00 0.00 C ATOM 119 C VAL A 8 -3.108 -2.968 -1.060 1.00 0.00 C ATOM 120 O VAL A 8 -2.150 -3.223 -0.355 1.00 0.00 O ATOM 121 CB VAL A 8 -3.650 -0.515 -1.302 1.00 0.00 C ATOM 122 CG1 VAL A 8 -4.658 0.573 -0.930 1.00 0.00 C ATOM 123 CG2 VAL A 8 -2.264 -0.124 -0.773 1.00 0.00 C ATOM 0 H VAL A 8 -3.193 -1.294 1.172 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.069 -2.157 -1.050 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.605 -0.620 -2.386 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.347 1.522 -1.367 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.642 0.303 -1.312 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.704 0.671 0.155 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.960 0.825 -1.215 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.304 -0.023 0.312 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.542 -0.896 -1.040 1.00 0.00 H new ATOM 133 N ARG A 9 -3.323 -3.606 -2.181 1.00 0.00 N ATOM 134 CA ARG A 9 -2.384 -4.678 -2.632 1.00 0.00 C ATOM 135 C ARG A 9 -1.132 -4.057 -3.256 1.00 0.00 C ATOM 136 O ARG A 9 -1.198 -3.031 -3.908 1.00 0.00 O ATOM 137 CB ARG A 9 -3.163 -5.477 -3.677 1.00 0.00 C ATOM 138 CG ARG A 9 -3.921 -6.615 -2.989 1.00 0.00 C ATOM 139 CD ARG A 9 -4.112 -7.771 -3.976 1.00 0.00 C ATOM 140 NE ARG A 9 -5.486 -8.297 -3.699 1.00 0.00 N ATOM 141 CZ ARG A 9 -6.116 -9.065 -4.568 1.00 0.00 C ATOM 142 NH1 ARG A 9 -5.585 -9.369 -5.730 1.00 0.00 N ATOM 143 NH2 ARG A 9 -7.294 -9.536 -4.264 1.00 0.00 N ATOM 0 H ARG A 9 -4.110 -3.431 -2.806 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.050 -5.306 -1.806 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.862 -4.825 -4.202 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.480 -5.880 -4.425 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.369 -6.957 -2.114 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.889 -6.260 -2.636 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -4.021 -7.428 -5.007 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -3.357 -8.543 -3.829 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.945 -8.057 -2.820 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.664 -9.009 -5.979 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -6.094 -9.965 -6.383 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.717 -9.309 -3.364 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.792 -10.131 -4.926 1.00 0.00 H new ATOM 157 N ILE A 10 0.003 -4.684 -3.079 1.00 0.00 N ATOM 158 CA ILE A 10 1.263 -4.150 -3.679 1.00 0.00 C ATOM 159 C ILE A 10 1.436 -4.691 -5.102 1.00 0.00 C ATOM 160 O ILE A 10 1.166 -5.846 -5.372 1.00 0.00 O ATOM 161 CB ILE A 10 2.388 -4.656 -2.767 1.00 0.00 C ATOM 162 CG1 ILE A 10 2.166 -4.150 -1.330 1.00 0.00 C ATOM 163 CG2 ILE A 10 3.741 -4.154 -3.285 1.00 0.00 C ATOM 164 CD1 ILE A 10 2.151 -2.615 -1.297 1.00 0.00 C ATOM 0 H ILE A 10 0.112 -5.545 -2.543 1.00 0.00 H new ATOM 0 HA ILE A 10 1.260 -3.062 -3.749 1.00 0.00 H new ATOM 0 HB ILE A 10 2.383 -5.746 -2.768 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.223 -4.537 -0.943 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.956 -4.526 -0.680 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.537 -4.516 -2.634 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.903 -4.525 -4.297 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.746 -3.064 -3.293 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.993 -2.275 -0.274 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.104 -2.234 -1.663 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.345 -2.245 -1.931 1.00 0.00 H new ATOM 176 N LEU A 11 1.914 -3.871 -6.004 1.00 0.00 N ATOM 177 CA LEU A 11 2.143 -4.337 -7.403 1.00 0.00 C ATOM 178 C LEU A 11 3.636 -4.288 -7.738 1.00 0.00 C ATOM 179 O LEU A 11 4.020 -3.976 -8.851 1.00 0.00 O ATOM 180 CB LEU A 11 1.362 -3.353 -8.284 1.00 0.00 C ATOM 181 CG LEU A 11 -0.111 -3.782 -8.399 1.00 0.00 C ATOM 182 CD1 LEU A 11 -0.201 -5.165 -9.050 1.00 0.00 C ATOM 183 CD2 LEU A 11 -0.752 -3.829 -7.007 1.00 0.00 C ATOM 0 H LEU A 11 2.156 -2.896 -5.830 1.00 0.00 H new ATOM 0 HA LEU A 11 1.816 -5.366 -7.554 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.423 -2.350 -7.861 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.812 -3.308 -9.276 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.643 -3.057 -9.016 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.247 -5.463 -9.128 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.241 -5.128 -10.045 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.338 -5.890 -8.440 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.795 -4.133 -7.097 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.217 -4.546 -6.384 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.701 -2.841 -6.549 1.00 0.00 H new ATOM 195 N ARG A 12 4.476 -4.622 -6.792 1.00 0.00 N ATOM 196 CA ARG A 12 5.945 -4.629 -7.053 1.00 0.00 C ATOM 197 C ARG A 12 6.492 -6.064 -6.967 1.00 0.00 C ATOM 198 O ARG A 12 6.895 -6.501 -5.908 1.00 0.00 O ATOM 199 CB ARG A 12 6.547 -3.758 -5.950 1.00 0.00 C ATOM 200 CG ARG A 12 7.728 -2.963 -6.512 1.00 0.00 C ATOM 201 CD ARG A 12 7.790 -1.591 -5.836 1.00 0.00 C ATOM 202 NE ARG A 12 9.247 -1.332 -5.624 1.00 0.00 N ATOM 203 CZ ARG A 12 10.050 -1.056 -6.633 1.00 0.00 C ATOM 204 NH1 ARG A 12 9.600 -0.955 -7.862 1.00 0.00 N ATOM 205 NH2 ARG A 12 11.322 -0.880 -6.404 1.00 0.00 N ATOM 0 H ARG A 12 4.205 -4.891 -5.846 1.00 0.00 H new ATOM 0 HA ARG A 12 6.190 -4.255 -8.047 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.792 -3.078 -5.557 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.878 -4.382 -5.120 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.658 -3.505 -6.343 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.620 -2.844 -7.590 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.339 -0.821 -6.462 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.247 -1.591 -4.891 1.00 0.00 H new ATOM 0 HE ARG A 12 9.628 -1.370 -4.679 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.608 -1.091 -8.055 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.243 -0.741 -8.624 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.684 -0.956 -5.454 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.954 -0.666 -7.175 1.00 0.00 H new ATOM 219 N PRO A 13 6.492 -6.760 -8.088 1.00 0.00 N ATOM 220 CA PRO A 13 7.000 -8.162 -8.116 1.00 0.00 C ATOM 221 C PRO A 13 8.411 -8.249 -7.518 1.00 0.00 C ATOM 222 O PRO A 13 8.728 -9.167 -6.786 1.00 0.00 O ATOM 223 CB PRO A 13 7.028 -8.507 -9.604 1.00 0.00 C ATOM 224 CG PRO A 13 6.020 -7.598 -10.227 1.00 0.00 C ATOM 225 CD PRO A 13 6.023 -6.329 -9.418 1.00 0.00 C ATOM 0 HA PRO A 13 6.382 -8.843 -7.530 1.00 0.00 H new ATOM 0 HB2 PRO A 13 8.019 -8.348 -10.028 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.774 -9.554 -9.772 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.273 -7.394 -11.267 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.031 -8.057 -10.224 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.685 -5.580 -9.852 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.029 -5.885 -9.367 1.00 0.00 H new ATOM 233 N GLU A 14 9.252 -7.294 -7.824 1.00 0.00 N ATOM 234 CA GLU A 14 10.644 -7.309 -7.273 1.00 0.00 C ATOM 235 C GLU A 14 10.611 -7.251 -5.742 1.00 0.00 C ATOM 236 O GLU A 14 11.525 -7.703 -5.078 1.00 0.00 O ATOM 237 CB GLU A 14 11.317 -6.057 -7.841 1.00 0.00 C ATOM 238 CG GLU A 14 11.982 -6.396 -9.177 1.00 0.00 C ATOM 239 CD GLU A 14 12.442 -5.107 -9.860 1.00 0.00 C ATOM 240 OE1 GLU A 14 11.589 -4.305 -10.203 1.00 0.00 O ATOM 241 OE2 GLU A 14 13.639 -4.944 -10.028 1.00 0.00 O ATOM 0 H GLU A 14 9.036 -6.504 -8.432 1.00 0.00 H new ATOM 0 HA GLU A 14 11.181 -8.218 -7.546 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.580 -5.266 -7.980 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.060 -5.680 -7.138 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.833 -7.057 -9.014 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.281 -6.930 -9.819 1.00 0.00 H new ATOM 248 N SER A 15 9.577 -6.674 -5.182 1.00 0.00 N ATOM 249 CA SER A 15 9.495 -6.555 -3.694 1.00 0.00 C ATOM 250 C SER A 15 9.055 -7.887 -3.080 1.00 0.00 C ATOM 251 O SER A 15 8.151 -8.537 -3.570 1.00 0.00 O ATOM 252 CB SER A 15 8.446 -5.473 -3.436 1.00 0.00 C ATOM 253 OG SER A 15 8.855 -4.264 -4.061 1.00 0.00 O ATOM 0 H SER A 15 8.786 -6.280 -5.691 1.00 0.00 H new ATOM 0 HA SER A 15 10.457 -6.302 -3.248 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.478 -5.788 -3.826 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.323 -5.318 -2.364 1.00 0.00 H new ATOM 0 HG SER A 15 8.508 -3.500 -3.554 1.00 0.00 H new ATOM 259 N TYR A 16 9.635 -8.254 -1.965 1.00 0.00 N ATOM 260 CA TYR A 16 9.198 -9.498 -1.256 1.00 0.00 C ATOM 261 C TYR A 16 7.713 -9.408 -0.882 1.00 0.00 C ATOM 262 O TYR A 16 7.057 -10.413 -0.677 1.00 0.00 O ATOM 263 CB TYR A 16 10.064 -9.571 0.004 1.00 0.00 C ATOM 264 CG TYR A 16 9.765 -10.849 0.752 1.00 0.00 C ATOM 265 CD1 TYR A 16 10.303 -12.063 0.307 1.00 0.00 C ATOM 266 CD2 TYR A 16 8.950 -10.820 1.889 1.00 0.00 C ATOM 267 CE1 TYR A 16 10.026 -13.248 1.001 1.00 0.00 C ATOM 268 CE2 TYR A 16 8.672 -12.004 2.582 1.00 0.00 C ATOM 269 CZ TYR A 16 9.210 -13.218 2.138 1.00 0.00 C ATOM 270 OH TYR A 16 8.936 -14.385 2.820 1.00 0.00 O ATOM 0 H TYR A 16 10.395 -7.745 -1.513 1.00 0.00 H new ATOM 0 HA TYR A 16 9.314 -10.384 -1.880 1.00 0.00 H new ATOM 0 HB2 TYR A 16 11.120 -9.534 -0.266 1.00 0.00 H new ATOM 0 HB3 TYR A 16 9.868 -8.710 0.643 1.00 0.00 H new ATOM 0 HD1 TYR A 16 10.931 -12.086 -0.571 1.00 0.00 H new ATOM 0 HD2 TYR A 16 8.535 -9.884 2.232 1.00 0.00 H new ATOM 0 HE1 TYR A 16 10.442 -14.184 0.659 1.00 0.00 H new ATOM 0 HE2 TYR A 16 8.042 -11.981 3.459 1.00 0.00 H new ATOM 0 HH TYR A 16 9.689 -15.004 2.724 1.00 0.00 H new ATOM 280 N TRP A 17 7.198 -8.213 -0.734 1.00 0.00 N ATOM 281 CA TRP A 17 5.776 -8.053 -0.303 1.00 0.00 C ATOM 282 C TRP A 17 4.870 -7.856 -1.522 1.00 0.00 C ATOM 283 O TRP A 17 3.880 -7.152 -1.459 1.00 0.00 O ATOM 284 CB TRP A 17 5.767 -6.804 0.579 1.00 0.00 C ATOM 285 CG TRP A 17 6.613 -7.039 1.789 1.00 0.00 C ATOM 286 CD1 TRP A 17 6.314 -7.896 2.792 1.00 0.00 C ATOM 287 CD2 TRP A 17 7.889 -6.429 2.140 1.00 0.00 C ATOM 288 NE1 TRP A 17 7.325 -7.850 3.736 1.00 0.00 N ATOM 289 CE2 TRP A 17 8.318 -6.960 3.378 1.00 0.00 C ATOM 290 CE3 TRP A 17 8.707 -5.474 1.509 1.00 0.00 C ATOM 291 CZ2 TRP A 17 9.516 -6.559 3.971 1.00 0.00 C ATOM 292 CZ3 TRP A 17 9.914 -5.068 2.102 1.00 0.00 C ATOM 293 CH2 TRP A 17 10.316 -5.610 3.331 1.00 0.00 C ATOM 0 H TRP A 17 7.702 -7.341 -0.893 1.00 0.00 H new ATOM 0 HA TRP A 17 5.406 -8.930 0.228 1.00 0.00 H new ATOM 0 HB2 TRP A 17 6.145 -5.948 0.019 1.00 0.00 H new ATOM 0 HB3 TRP A 17 4.746 -6.564 0.877 1.00 0.00 H new ATOM 0 HD1 TRP A 17 5.431 -8.515 2.847 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.335 -8.406 4.591 1.00 0.00 H new ATOM 0 HE3 TRP A 17 8.405 -5.050 0.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 9.822 -6.979 4.918 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 10.535 -4.335 1.609 1.00 0.00 H new ATOM 0 HH2 TRP A 17 11.245 -5.294 3.783 1.00 0.00 H new ATOM 304 N PHE A 18 5.154 -8.543 -2.600 1.00 0.00 N ATOM 305 CA PHE A 18 4.255 -8.479 -3.792 1.00 0.00 C ATOM 306 C PHE A 18 2.954 -9.237 -3.516 1.00 0.00 C ATOM 307 O PHE A 18 2.915 -10.148 -2.711 1.00 0.00 O ATOM 308 CB PHE A 18 5.037 -9.151 -4.922 1.00 0.00 C ATOM 309 CG PHE A 18 4.257 -9.041 -6.210 1.00 0.00 C ATOM 310 CD1 PHE A 18 3.942 -7.781 -6.732 1.00 0.00 C ATOM 311 CD2 PHE A 18 3.849 -10.199 -6.883 1.00 0.00 C ATOM 312 CE1 PHE A 18 3.219 -7.679 -7.927 1.00 0.00 C ATOM 313 CE2 PHE A 18 3.125 -10.096 -8.076 1.00 0.00 C ATOM 314 CZ PHE A 18 2.810 -8.836 -8.599 1.00 0.00 C ATOM 0 H PHE A 18 5.970 -9.146 -2.706 1.00 0.00 H new ATOM 0 HA PHE A 18 3.979 -7.455 -4.043 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.013 -8.678 -5.034 1.00 0.00 H new ATOM 0 HB3 PHE A 18 5.216 -10.199 -4.681 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.257 -6.888 -6.213 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.093 -11.171 -6.481 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.977 -6.707 -8.330 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.809 -10.989 -8.594 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.252 -8.757 -9.520 1.00 0.00 H new ATOM 324 N GLN A 19 1.891 -8.883 -4.199 1.00 0.00 N ATOM 325 CA GLN A 19 0.581 -9.592 -4.010 1.00 0.00 C ATOM 326 C GLN A 19 0.192 -9.631 -2.526 1.00 0.00 C ATOM 327 O GLN A 19 -0.534 -10.506 -2.091 1.00 0.00 O ATOM 328 CB GLN A 19 0.805 -11.010 -4.545 1.00 0.00 C ATOM 329 CG GLN A 19 0.461 -11.054 -6.034 1.00 0.00 C ATOM 330 CD GLN A 19 0.620 -12.484 -6.554 1.00 0.00 C ATOM 331 OE1 GLN A 19 0.492 -13.432 -5.805 1.00 0.00 O ATOM 332 NE2 GLN A 19 0.897 -12.681 -7.814 1.00 0.00 N ATOM 0 H GLN A 19 1.873 -8.128 -4.885 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.230 -9.084 -4.532 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.842 -11.308 -4.392 1.00 0.00 H new ATOM 0 HB3 GLN A 19 0.185 -11.719 -3.997 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -0.561 -10.710 -6.192 1.00 0.00 H new ATOM 0 HG3 GLN A 19 1.113 -10.380 -6.589 1.00 0.00 H new ATOM 0 HE21 GLN A 19 1.004 -11.885 -8.443 1.00 0.00 H new ATOM 0 HE22 GLN A 19 1.006 -13.631 -8.170 1.00 0.00 H new ATOM 341 N ASP A 20 0.648 -8.673 -1.759 1.00 0.00 N ATOM 342 CA ASP A 20 0.285 -8.628 -0.312 1.00 0.00 C ATOM 343 C ASP A 20 -0.458 -7.327 0.006 1.00 0.00 C ATOM 344 O ASP A 20 -0.117 -6.272 -0.492 1.00 0.00 O ATOM 345 CB ASP A 20 1.618 -8.680 0.434 1.00 0.00 C ATOM 346 CG ASP A 20 1.459 -9.507 1.710 1.00 0.00 C ATOM 347 OD1 ASP A 20 0.884 -10.580 1.630 1.00 0.00 O ATOM 348 OD2 ASP A 20 1.915 -9.053 2.747 1.00 0.00 O ATOM 0 H ASP A 20 1.258 -7.919 -2.075 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.373 -9.448 -0.026 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.386 -9.119 -0.203 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.948 -7.671 0.681 1.00 0.00 H new ATOM 353 N VAL A 21 -1.459 -7.398 0.846 1.00 0.00 N ATOM 354 CA VAL A 21 -2.219 -6.166 1.221 1.00 0.00 C ATOM 355 C VAL A 21 -1.519 -5.453 2.383 1.00 0.00 C ATOM 356 O VAL A 21 -1.781 -5.730 3.538 1.00 0.00 O ATOM 357 CB VAL A 21 -3.606 -6.663 1.644 1.00 0.00 C ATOM 358 CG1 VAL A 21 -4.481 -5.473 2.046 1.00 0.00 C ATOM 359 CG2 VAL A 21 -4.266 -7.402 0.477 1.00 0.00 C ATOM 0 H VAL A 21 -1.784 -8.257 1.289 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.282 -5.451 0.401 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.499 -7.340 2.492 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.466 -5.831 2.346 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.017 -4.945 2.879 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.584 -4.794 1.199 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.252 -7.754 0.780 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.368 -6.725 -0.371 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.649 -8.253 0.190 1.00 0.00 H new ATOM 369 N GLY A 22 -0.648 -4.525 2.081 1.00 0.00 N ATOM 370 CA GLY A 22 0.056 -3.769 3.159 1.00 0.00 C ATOM 371 C GLY A 22 -0.826 -2.613 3.632 1.00 0.00 C ATOM 372 O GLY A 22 -1.756 -2.214 2.956 1.00 0.00 O ATOM 0 H GLY A 22 -0.393 -4.258 1.130 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.283 -4.432 3.994 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.007 -3.387 2.788 1.00 0.00 H new ATOM 376 N THR A 23 -0.521 -2.053 4.776 1.00 0.00 N ATOM 377 CA THR A 23 -1.315 -0.896 5.287 1.00 0.00 C ATOM 378 C THR A 23 -0.593 0.417 4.980 1.00 0.00 C ATOM 379 O THR A 23 0.622 0.479 4.967 1.00 0.00 O ATOM 380 CB THR A 23 -1.410 -1.118 6.797 1.00 0.00 C ATOM 381 OG1 THR A 23 -1.821 -2.453 7.054 1.00 0.00 O ATOM 382 CG2 THR A 23 -2.428 -0.145 7.394 1.00 0.00 C ATOM 0 H THR A 23 0.246 -2.349 5.379 1.00 0.00 H new ATOM 0 HA THR A 23 -2.299 -0.832 4.822 1.00 0.00 H new ATOM 0 HB THR A 23 -0.435 -0.945 7.252 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.880 -2.596 8.022 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.495 -0.304 8.470 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.111 0.879 7.197 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.404 -0.316 6.940 1.00 0.00 H new ATOM 390 N VAL A 24 -1.334 1.474 4.758 1.00 0.00 N ATOM 391 CA VAL A 24 -0.699 2.798 4.482 1.00 0.00 C ATOM 392 C VAL A 24 -0.295 3.468 5.800 1.00 0.00 C ATOM 393 O VAL A 24 -1.127 3.759 6.638 1.00 0.00 O ATOM 394 CB VAL A 24 -1.778 3.618 3.763 1.00 0.00 C ATOM 395 CG1 VAL A 24 -1.236 5.012 3.436 1.00 0.00 C ATOM 396 CG2 VAL A 24 -2.176 2.914 2.460 1.00 0.00 C ATOM 0 H VAL A 24 -2.354 1.476 4.756 1.00 0.00 H new ATOM 0 HA VAL A 24 0.205 2.709 3.880 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.649 3.709 4.412 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.006 5.591 2.925 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.953 5.518 4.359 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.363 4.921 2.790 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.943 3.498 1.950 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.302 2.821 1.815 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.567 1.922 2.687 1.00 0.00 H new ATOM 406 N ALA A 25 0.974 3.739 5.971 1.00 0.00 N ATOM 407 CA ALA A 25 1.439 4.420 7.216 1.00 0.00 C ATOM 408 C ALA A 25 1.243 5.934 7.095 1.00 0.00 C ATOM 409 O ALA A 25 0.722 6.574 7.990 1.00 0.00 O ATOM 410 CB ALA A 25 2.926 4.079 7.324 1.00 0.00 C ATOM 0 H ALA A 25 1.709 3.517 5.300 1.00 0.00 H new ATOM 0 HA ALA A 25 0.882 4.097 8.096 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.342 4.545 8.217 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.048 2.998 7.388 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.450 4.451 6.443 1.00 0.00 H new ATOM 416 N SER A 26 1.627 6.503 5.980 1.00 0.00 N ATOM 417 CA SER A 26 1.434 7.969 5.775 1.00 0.00 C ATOM 418 C SER A 26 1.669 8.333 4.306 1.00 0.00 C ATOM 419 O SER A 26 2.292 7.593 3.567 1.00 0.00 O ATOM 420 CB SER A 26 2.482 8.634 6.666 1.00 0.00 C ATOM 421 OG SER A 26 3.775 8.176 6.294 1.00 0.00 O ATOM 0 H SER A 26 2.067 6.013 5.201 1.00 0.00 H new ATOM 0 HA SER A 26 0.423 8.292 6.024 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.425 9.718 6.567 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.288 8.399 7.713 1.00 0.00 H new ATOM 0 HG SER A 26 4.449 8.602 6.863 1.00 0.00 H new ATOM 427 N VAL A 27 1.200 9.482 3.890 1.00 0.00 N ATOM 428 CA VAL A 27 1.420 9.920 2.477 1.00 0.00 C ATOM 429 C VAL A 27 2.156 11.263 2.456 1.00 0.00 C ATOM 430 O VAL A 27 1.665 12.257 2.959 1.00 0.00 O ATOM 431 CB VAL A 27 0.015 10.062 1.876 1.00 0.00 C ATOM 432 CG1 VAL A 27 0.122 10.479 0.406 1.00 0.00 C ATOM 433 CG2 VAL A 27 -0.722 8.723 1.966 1.00 0.00 C ATOM 0 H VAL A 27 0.673 10.137 4.468 1.00 0.00 H new ATOM 0 HA VAL A 27 2.028 9.213 1.913 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.535 10.821 2.432 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.877 10.579 -0.018 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.643 11.434 0.336 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.677 9.721 -0.148 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.719 8.827 1.538 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.168 7.965 1.413 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.805 8.423 3.011 1.00 0.00 H new ATOM 443 N ASP A 28 3.319 11.301 1.857 1.00 0.00 N ATOM 444 CA ASP A 28 4.084 12.582 1.774 1.00 0.00 C ATOM 445 C ASP A 28 3.598 13.412 0.582 1.00 0.00 C ATOM 446 O ASP A 28 3.601 12.954 -0.546 1.00 0.00 O ATOM 447 CB ASP A 28 5.540 12.161 1.576 1.00 0.00 C ATOM 448 CG ASP A 28 6.465 13.260 2.101 1.00 0.00 C ATOM 449 OD1 ASP A 28 6.216 13.746 3.192 1.00 0.00 O ATOM 450 OD2 ASP A 28 7.408 13.597 1.404 1.00 0.00 O ATOM 0 H ASP A 28 3.773 10.498 1.421 1.00 0.00 H new ATOM 0 HA ASP A 28 3.955 13.199 2.664 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.734 11.226 2.102 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.737 11.979 0.519 1.00 0.00 H new ATOM 455 N GLN A 29 3.205 14.637 0.823 1.00 0.00 N ATOM 456 CA GLN A 29 2.744 15.514 -0.294 1.00 0.00 C ATOM 457 C GLN A 29 3.820 16.552 -0.629 1.00 0.00 C ATOM 458 O GLN A 29 3.520 17.660 -1.031 1.00 0.00 O ATOM 459 CB GLN A 29 1.485 16.201 0.237 1.00 0.00 C ATOM 460 CG GLN A 29 0.823 16.996 -0.891 1.00 0.00 C ATOM 461 CD GLN A 29 -0.680 17.106 -0.625 1.00 0.00 C ATOM 462 OE1 GLN A 29 -1.382 16.114 -0.624 1.00 0.00 O ATOM 463 NE2 GLN A 29 -1.205 18.278 -0.398 1.00 0.00 N ATOM 0 H GLN A 29 3.184 15.068 1.747 1.00 0.00 H new ATOM 0 HA GLN A 29 2.548 14.952 -1.207 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.790 15.458 0.629 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.741 16.865 1.063 1.00 0.00 H new ATOM 0 HG2 GLN A 29 1.265 17.990 -0.957 1.00 0.00 H new ATOM 0 HG3 GLN A 29 0.999 16.505 -1.848 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.615 19.110 -0.399 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.206 18.363 -0.219 1.00 0.00 H new ATOM 472 N SER A 30 5.069 16.187 -0.492 1.00 0.00 N ATOM 473 CA SER A 30 6.174 17.134 -0.831 1.00 0.00 C ATOM 474 C SER A 30 6.760 16.794 -2.203 1.00 0.00 C ATOM 475 O SER A 30 6.836 17.636 -3.080 1.00 0.00 O ATOM 476 CB SER A 30 7.220 16.930 0.264 1.00 0.00 C ATOM 477 OG SER A 30 6.725 17.453 1.490 1.00 0.00 O ATOM 0 H SER A 30 5.372 15.272 -0.159 1.00 0.00 H new ATOM 0 HA SER A 30 5.831 18.168 -0.880 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.447 15.869 0.373 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.150 17.429 -0.008 1.00 0.00 H new ATOM 0 HG SER A 30 7.393 17.322 2.195 1.00 0.00 H new ATOM 483 N GLY A 31 7.150 15.561 -2.403 1.00 0.00 N ATOM 484 CA GLY A 31 7.703 15.148 -3.725 1.00 0.00 C ATOM 485 C GLY A 31 8.633 13.948 -3.539 1.00 0.00 C ATOM 486 O GLY A 31 9.838 14.093 -3.459 1.00 0.00 O ATOM 0 H GLY A 31 7.108 14.820 -1.703 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.892 14.890 -4.406 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.248 15.977 -4.178 1.00 0.00 H new ATOM 490 N ILE A 32 8.081 12.762 -3.496 1.00 0.00 N ATOM 491 CA ILE A 32 8.929 11.540 -3.346 1.00 0.00 C ATOM 492 C ILE A 32 8.600 10.527 -4.449 1.00 0.00 C ATOM 493 O ILE A 32 7.556 10.592 -5.070 1.00 0.00 O ATOM 494 CB ILE A 32 8.581 10.971 -1.965 1.00 0.00 C ATOM 495 CG1 ILE A 32 7.081 10.661 -1.889 1.00 0.00 C ATOM 496 CG2 ILE A 32 8.939 11.997 -0.889 1.00 0.00 C ATOM 497 CD1 ILE A 32 6.774 9.942 -0.573 1.00 0.00 C ATOM 0 H ILE A 32 7.078 12.587 -3.558 1.00 0.00 H new ATOM 0 HA ILE A 32 9.992 11.766 -3.431 1.00 0.00 H new ATOM 0 HB ILE A 32 9.146 10.053 -1.804 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.504 11.584 -1.955 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.784 10.039 -2.733 1.00 0.00 H new ATOM 0 HG21 ILE A 32 8.692 11.595 0.094 1.00 0.00 H new ATOM 0 HG22 ILE A 32 10.006 12.215 -0.935 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.374 12.914 -1.058 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.708 9.722 -0.519 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.340 9.011 -0.526 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.056 10.580 0.265 1.00 0.00 H new ATOM 509 N LYS A 33 9.498 9.611 -4.711 1.00 0.00 N ATOM 510 CA LYS A 33 9.259 8.607 -5.795 1.00 0.00 C ATOM 511 C LYS A 33 7.997 7.786 -5.496 1.00 0.00 C ATOM 512 O LYS A 33 7.337 7.301 -6.396 1.00 0.00 O ATOM 513 CB LYS A 33 10.503 7.707 -5.805 1.00 0.00 C ATOM 514 CG LYS A 33 10.685 7.047 -4.433 1.00 0.00 C ATOM 515 CD LYS A 33 11.736 5.940 -4.535 1.00 0.00 C ATOM 516 CE LYS A 33 13.116 6.566 -4.751 1.00 0.00 C ATOM 517 NZ LYS A 33 13.805 5.657 -5.709 1.00 0.00 N ATOM 0 H LYS A 33 10.387 9.514 -4.221 1.00 0.00 H new ATOM 0 HA LYS A 33 9.102 9.084 -6.762 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.402 6.942 -6.575 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.386 8.296 -6.054 1.00 0.00 H new ATOM 0 HG2 LYS A 33 10.994 7.790 -3.698 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.738 6.633 -4.088 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.736 5.339 -3.626 1.00 0.00 H new ATOM 0 HD3 LYS A 33 11.495 5.270 -5.360 1.00 0.00 H new ATOM 0 HE2 LYS A 33 13.033 7.575 -5.154 1.00 0.00 H new ATOM 0 HE3 LYS A 33 13.666 6.642 -3.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.759 6.020 -5.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.876 4.705 -5.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.262 5.610 -6.595 1.00 0.00 H new ATOM 531 N TYR A 34 7.647 7.654 -4.242 1.00 0.00 N ATOM 532 CA TYR A 34 6.412 6.894 -3.880 1.00 0.00 C ATOM 533 C TYR A 34 5.602 7.668 -2.826 1.00 0.00 C ATOM 534 O TYR A 34 5.881 7.570 -1.648 1.00 0.00 O ATOM 535 CB TYR A 34 6.917 5.570 -3.302 1.00 0.00 C ATOM 536 CG TYR A 34 7.584 4.761 -4.391 1.00 0.00 C ATOM 537 CD1 TYR A 34 6.905 4.495 -5.588 1.00 0.00 C ATOM 538 CD2 TYR A 34 8.884 4.275 -4.203 1.00 0.00 C ATOM 539 CE1 TYR A 34 7.525 3.745 -6.593 1.00 0.00 C ATOM 540 CE2 TYR A 34 9.504 3.525 -5.209 1.00 0.00 C ATOM 541 CZ TYR A 34 8.825 3.259 -6.403 1.00 0.00 C ATOM 542 OH TYR A 34 9.436 2.519 -7.395 1.00 0.00 O ATOM 0 H TYR A 34 8.164 8.040 -3.452 1.00 0.00 H new ATOM 0 HA TYR A 34 5.755 6.741 -4.736 1.00 0.00 H new ATOM 0 HB2 TYR A 34 7.622 5.761 -2.493 1.00 0.00 H new ATOM 0 HB3 TYR A 34 6.086 5.008 -2.875 1.00 0.00 H new ATOM 0 HD1 TYR A 34 5.903 4.869 -5.735 1.00 0.00 H new ATOM 0 HD2 TYR A 34 9.408 4.479 -3.281 1.00 0.00 H new ATOM 0 HE1 TYR A 34 7.001 3.541 -7.515 1.00 0.00 H new ATOM 0 HE2 TYR A 34 10.507 3.151 -5.064 1.00 0.00 H new ATOM 0 HH TYR A 34 10.335 2.260 -7.103 1.00 0.00 H new ATOM 552 N PRO A 35 4.617 8.420 -3.280 1.00 0.00 N ATOM 553 CA PRO A 35 3.769 9.213 -2.343 1.00 0.00 C ATOM 554 C PRO A 35 3.193 8.325 -1.233 1.00 0.00 C ATOM 555 O PRO A 35 2.810 8.807 -0.182 1.00 0.00 O ATOM 556 CB PRO A 35 2.649 9.746 -3.235 1.00 0.00 C ATOM 557 CG PRO A 35 3.227 9.758 -4.612 1.00 0.00 C ATOM 558 CD PRO A 35 4.200 8.612 -4.681 1.00 0.00 C ATOM 0 HA PRO A 35 4.328 10.001 -1.838 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.766 9.109 -3.183 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.341 10.745 -2.927 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.444 9.647 -5.362 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.729 10.705 -4.813 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.733 7.714 -5.086 1.00 0.00 H new ATOM 0 HD3 PRO A 35 5.049 8.846 -5.323 1.00 0.00 H new ATOM 566 N VAL A 36 3.034 7.052 -1.499 1.00 0.00 N ATOM 567 CA VAL A 36 2.372 6.152 -0.507 1.00 0.00 C ATOM 568 C VAL A 36 3.404 5.211 0.123 1.00 0.00 C ATOM 569 O VAL A 36 3.887 4.294 -0.514 1.00 0.00 O ATOM 570 CB VAL A 36 1.335 5.359 -1.312 1.00 0.00 C ATOM 571 CG1 VAL A 36 0.579 4.405 -0.383 1.00 0.00 C ATOM 572 CG2 VAL A 36 0.338 6.326 -1.958 1.00 0.00 C ATOM 0 H VAL A 36 3.335 6.598 -2.361 1.00 0.00 H new ATOM 0 HA VAL A 36 1.910 6.707 0.309 1.00 0.00 H new ATOM 0 HB VAL A 36 1.846 4.786 -2.086 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.157 3.843 -0.959 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.283 3.713 0.079 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.072 4.978 0.393 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.398 5.761 -2.530 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.168 6.900 -1.181 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.870 7.006 -2.623 1.00 0.00 H new ATOM 582 N ILE A 37 3.658 5.367 1.399 1.00 0.00 N ATOM 583 CA ILE A 37 4.557 4.410 2.111 1.00 0.00 C ATOM 584 C ILE A 37 3.726 3.289 2.745 1.00 0.00 C ATOM 585 O ILE A 37 2.831 3.538 3.531 1.00 0.00 O ATOM 586 CB ILE A 37 5.257 5.246 3.190 1.00 0.00 C ATOM 587 CG1 ILE A 37 6.062 6.369 2.528 1.00 0.00 C ATOM 588 CG2 ILE A 37 6.204 4.357 4.000 1.00 0.00 C ATOM 589 CD1 ILE A 37 6.039 7.609 3.424 1.00 0.00 C ATOM 0 H ILE A 37 3.280 6.117 1.978 1.00 0.00 H new ATOM 0 HA ILE A 37 5.275 3.936 1.442 1.00 0.00 H new ATOM 0 HB ILE A 37 4.505 5.675 3.853 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.090 6.046 2.363 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.641 6.605 1.551 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.699 4.955 4.765 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.635 3.558 4.475 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.953 3.924 3.337 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.612 8.408 2.954 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.009 7.936 3.567 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.480 7.367 4.391 1.00 0.00 H new ATOM 601 N VAL A 38 3.990 2.061 2.373 1.00 0.00 N ATOM 602 CA VAL A 38 3.188 0.920 2.911 1.00 0.00 C ATOM 603 C VAL A 38 3.972 0.203 4.016 1.00 0.00 C ATOM 604 O VAL A 38 5.185 0.283 4.078 1.00 0.00 O ATOM 605 CB VAL A 38 2.962 -0.011 1.715 1.00 0.00 C ATOM 606 CG1 VAL A 38 2.132 -1.220 2.151 1.00 0.00 C ATOM 607 CG2 VAL A 38 2.211 0.742 0.612 1.00 0.00 C ATOM 0 H VAL A 38 4.728 1.800 1.719 1.00 0.00 H new ATOM 0 HA VAL A 38 2.245 1.247 3.350 1.00 0.00 H new ATOM 0 HB VAL A 38 3.928 -0.348 1.338 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.974 -1.879 1.298 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.662 -1.762 2.935 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.168 -0.882 2.532 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.051 0.078 -0.238 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.248 1.081 0.994 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.799 1.603 0.294 1.00 0.00 H new ATOM 617 N ARG A 39 3.289 -0.534 4.854 1.00 0.00 N ATOM 618 CA ARG A 39 3.989 -1.309 5.922 1.00 0.00 C ATOM 619 C ARG A 39 3.667 -2.801 5.790 1.00 0.00 C ATOM 620 O ARG A 39 2.617 -3.176 5.306 1.00 0.00 O ATOM 621 CB ARG A 39 3.439 -0.755 7.237 1.00 0.00 C ATOM 622 CG ARG A 39 4.163 -1.416 8.412 1.00 0.00 C ATOM 623 CD ARG A 39 3.702 -0.774 9.723 1.00 0.00 C ATOM 624 NE ARG A 39 2.640 -1.686 10.250 1.00 0.00 N ATOM 625 CZ ARG A 39 2.305 -1.686 11.526 1.00 0.00 C ATOM 626 NH1 ARG A 39 2.856 -0.857 12.382 1.00 0.00 N ATOM 627 NH2 ARG A 39 1.403 -2.531 11.947 1.00 0.00 N ATOM 0 H ARG A 39 2.274 -0.633 4.844 1.00 0.00 H new ATOM 0 HA ARG A 39 5.073 -1.212 5.861 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.575 0.326 7.274 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.368 -0.944 7.304 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.955 -2.486 8.426 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.241 -1.303 8.299 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.528 -0.681 10.428 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.312 0.230 9.555 1.00 0.00 H new ATOM 0 HE ARG A 39 2.165 -2.321 9.609 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.562 -0.192 12.066 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.579 -0.878 13.363 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.967 -3.180 11.292 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.134 -2.542 12.931 1.00 0.00 H new ATOM 641 N PHE A 40 4.564 -3.650 6.224 1.00 0.00 N ATOM 642 CA PHE A 40 4.318 -5.120 6.133 1.00 0.00 C ATOM 643 C PHE A 40 4.576 -5.784 7.487 1.00 0.00 C ATOM 644 O PHE A 40 5.392 -5.326 8.266 1.00 0.00 O ATOM 645 CB PHE A 40 5.313 -5.626 5.089 1.00 0.00 C ATOM 646 CG PHE A 40 5.013 -4.991 3.752 1.00 0.00 C ATOM 647 CD1 PHE A 40 3.734 -5.109 3.192 1.00 0.00 C ATOM 648 CD2 PHE A 40 6.012 -4.284 3.073 1.00 0.00 C ATOM 649 CE1 PHE A 40 3.458 -4.519 1.952 1.00 0.00 C ATOM 650 CE2 PHE A 40 5.735 -3.696 1.834 1.00 0.00 C ATOM 651 CZ PHE A 40 4.457 -3.813 1.274 1.00 0.00 C ATOM 0 H PHE A 40 5.458 -3.387 6.638 1.00 0.00 H new ATOM 0 HA PHE A 40 3.288 -5.349 5.858 1.00 0.00 H new ATOM 0 HB2 PHE A 40 6.331 -5.386 5.396 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.251 -6.711 5.009 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.962 -5.654 3.716 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.997 -4.192 3.506 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.473 -4.609 1.519 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.507 -3.152 1.310 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.243 -3.358 0.318 1.00 0.00 H new ATOM 661 N GLU A 41 3.936 -6.897 7.743 1.00 0.00 N ATOM 662 CA GLU A 41 4.195 -7.643 9.011 1.00 0.00 C ATOM 663 C GLU A 41 5.399 -8.573 8.840 1.00 0.00 C ATOM 664 O GLU A 41 6.269 -8.637 9.690 1.00 0.00 O ATOM 665 CB GLU A 41 2.922 -8.452 9.261 1.00 0.00 C ATOM 666 CG GLU A 41 1.811 -7.520 9.746 1.00 0.00 C ATOM 667 CD GLU A 41 0.450 -8.097 9.349 1.00 0.00 C ATOM 668 OE1 GLU A 41 0.294 -9.304 9.433 1.00 0.00 O ATOM 669 OE2 GLU A 41 -0.411 -7.323 8.969 1.00 0.00 O ATOM 0 H GLU A 41 3.243 -7.322 7.126 1.00 0.00 H new ATOM 0 HA GLU A 41 4.424 -6.978 9.843 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.614 -8.957 8.345 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.111 -9.227 10.004 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.867 -7.403 10.828 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.938 -6.528 9.311 1.00 0.00 H new ATOM 676 N LYS A 42 5.488 -9.240 7.718 1.00 0.00 N ATOM 677 CA LYS A 42 6.675 -10.105 7.446 1.00 0.00 C ATOM 678 C LYS A 42 7.856 -9.249 6.979 1.00 0.00 C ATOM 679 O LYS A 42 7.681 -8.277 6.269 1.00 0.00 O ATOM 680 CB LYS A 42 6.226 -11.056 6.332 1.00 0.00 C ATOM 681 CG LYS A 42 6.723 -12.474 6.629 1.00 0.00 C ATOM 682 CD LYS A 42 8.253 -12.503 6.586 1.00 0.00 C ATOM 683 CE LYS A 42 8.725 -13.833 5.991 1.00 0.00 C ATOM 684 NZ LYS A 42 9.915 -14.214 6.802 1.00 0.00 N ATOM 0 H LYS A 42 4.788 -9.223 6.977 1.00 0.00 H new ATOM 0 HA LYS A 42 7.006 -10.645 8.333 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.139 -11.051 6.253 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.617 -10.717 5.373 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.371 -12.796 7.609 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.316 -13.173 5.899 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.626 -11.672 5.987 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.658 -12.378 7.590 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.945 -14.592 6.052 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.983 -13.725 4.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.297 -15.117 6.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.643 -13.476 6.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.637 -14.316 7.799 1.00 0.00 H new ATOM 698 N VAL A 43 9.058 -9.663 7.290 1.00 0.00 N ATOM 699 CA VAL A 43 10.261 -8.941 6.772 1.00 0.00 C ATOM 700 C VAL A 43 10.640 -9.471 5.385 1.00 0.00 C ATOM 701 O VAL A 43 9.953 -10.304 4.822 1.00 0.00 O ATOM 702 CB VAL A 43 11.377 -9.215 7.788 1.00 0.00 C ATOM 703 CG1 VAL A 43 10.966 -8.665 9.155 1.00 0.00 C ATOM 704 CG2 VAL A 43 11.628 -10.724 7.906 1.00 0.00 C ATOM 0 H VAL A 43 9.259 -10.470 7.880 1.00 0.00 H new ATOM 0 HA VAL A 43 10.080 -7.872 6.662 1.00 0.00 H new ATOM 0 HB VAL A 43 12.291 -8.726 7.450 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.758 -8.859 9.878 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.799 -7.591 9.080 1.00 0.00 H new ATOM 0 HG13 VAL A 43 10.048 -9.153 9.483 1.00 0.00 H new ATOM 0 HG21 VAL A 43 12.422 -10.905 8.630 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.715 -11.220 8.237 1.00 0.00 H new ATOM 0 HG23 VAL A 43 11.925 -11.120 6.935 1.00 0.00 H new ATOM 714 N ASN A 44 11.746 -9.021 4.851 1.00 0.00 N ATOM 715 CA ASN A 44 12.201 -9.526 3.519 1.00 0.00 C ATOM 716 C ASN A 44 13.667 -9.967 3.589 1.00 0.00 C ATOM 717 O ASN A 44 14.250 -10.040 4.655 1.00 0.00 O ATOM 718 CB ASN A 44 12.034 -8.339 2.561 1.00 0.00 C ATOM 719 CG ASN A 44 12.875 -7.147 3.036 1.00 0.00 C ATOM 720 OD1 ASN A 44 13.370 -7.136 4.147 1.00 0.00 O ATOM 721 ND2 ASN A 44 13.056 -6.134 2.234 1.00 0.00 N ATOM 0 H ASN A 44 12.355 -8.324 5.280 1.00 0.00 H new ATOM 0 HA ASN A 44 11.629 -10.393 3.190 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.338 -8.629 1.555 1.00 0.00 H new ATOM 0 HB3 ASN A 44 10.984 -8.053 2.506 1.00 0.00 H new ATOM 0 HD21 ASN A 44 13.612 -5.335 2.539 1.00 0.00 H new ATOM 0 HD22 ASN A 44 12.642 -6.141 1.302 1.00 0.00 H new ATOM 728 N TYR A 45 14.241 -10.321 2.468 1.00 0.00 N ATOM 729 CA TYR A 45 15.647 -10.830 2.467 1.00 0.00 C ATOM 730 C TYR A 45 16.600 -9.758 3.004 1.00 0.00 C ATOM 731 O TYR A 45 17.640 -10.062 3.559 1.00 0.00 O ATOM 732 CB TYR A 45 15.964 -11.142 1.003 1.00 0.00 C ATOM 733 CG TYR A 45 15.191 -12.364 0.570 1.00 0.00 C ATOM 734 CD1 TYR A 45 15.343 -13.570 1.264 1.00 0.00 C ATOM 735 CD2 TYR A 45 14.322 -12.291 -0.526 1.00 0.00 C ATOM 736 CE1 TYR A 45 14.626 -14.705 0.863 1.00 0.00 C ATOM 737 CE2 TYR A 45 13.605 -13.425 -0.927 1.00 0.00 C ATOM 738 CZ TYR A 45 13.756 -14.631 -0.233 1.00 0.00 C ATOM 739 OH TYR A 45 13.049 -15.749 -0.629 1.00 0.00 O ATOM 0 H TYR A 45 13.796 -10.280 1.551 1.00 0.00 H new ATOM 0 HA TYR A 45 15.763 -11.708 3.103 1.00 0.00 H new ATOM 0 HB2 TYR A 45 15.702 -10.291 0.374 1.00 0.00 H new ATOM 0 HB3 TYR A 45 17.033 -11.313 0.880 1.00 0.00 H new ATOM 0 HD1 TYR A 45 16.013 -13.626 2.109 1.00 0.00 H new ATOM 0 HD2 TYR A 45 14.205 -11.361 -1.062 1.00 0.00 H new ATOM 0 HE1 TYR A 45 14.744 -15.636 1.398 1.00 0.00 H new ATOM 0 HE2 TYR A 45 12.935 -13.369 -1.772 1.00 0.00 H new ATOM 0 HH TYR A 45 12.491 -15.526 -1.403 1.00 0.00 H new ATOM 749 N SER A 46 16.255 -8.506 2.836 1.00 0.00 N ATOM 750 CA SER A 46 17.140 -7.407 3.327 1.00 0.00 C ATOM 751 C SER A 46 16.929 -7.188 4.827 1.00 0.00 C ATOM 752 O SER A 46 17.871 -6.990 5.572 1.00 0.00 O ATOM 753 CB SER A 46 16.713 -6.169 2.539 1.00 0.00 C ATOM 754 OG SER A 46 17.166 -6.287 1.197 1.00 0.00 O ATOM 0 H SER A 46 15.397 -8.198 2.379 1.00 0.00 H new ATOM 0 HA SER A 46 18.196 -7.635 3.185 1.00 0.00 H new ATOM 0 HB2 SER A 46 15.628 -6.066 2.561 1.00 0.00 H new ATOM 0 HB3 SER A 46 17.128 -5.271 2.997 1.00 0.00 H new ATOM 0 HG SER A 46 16.892 -5.495 0.689 1.00 0.00 H new ATOM 760 N GLY A 47 15.701 -7.248 5.277 1.00 0.00 N ATOM 761 CA GLY A 47 15.421 -7.075 6.733 1.00 0.00 C ATOM 762 C GLY A 47 14.720 -5.735 6.963 1.00 0.00 C ATOM 763 O GLY A 47 15.227 -4.871 7.653 1.00 0.00 O ATOM 0 H GLY A 47 14.878 -7.410 4.696 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.795 -7.891 7.093 1.00 0.00 H new ATOM 0 HA3 GLY A 47 16.351 -7.113 7.300 1.00 0.00 H new ATOM 767 N ILE A 55 13.544 -5.569 6.413 1.00 0.00 N ATOM 768 CA ILE A 55 12.783 -4.299 6.621 1.00 0.00 C ATOM 769 C ILE A 55 11.295 -4.606 6.815 1.00 0.00 C ATOM 770 O ILE A 55 10.821 -5.670 6.464 1.00 0.00 O ATOM 771 CB ILE A 55 13.006 -3.484 5.341 1.00 0.00 C ATOM 772 CG1 ILE A 55 14.504 -3.224 5.152 1.00 0.00 C ATOM 773 CG2 ILE A 55 12.272 -2.144 5.450 1.00 0.00 C ATOM 774 CD1 ILE A 55 15.099 -4.300 4.241 1.00 0.00 C ATOM 0 H ILE A 55 13.076 -6.260 5.827 1.00 0.00 H new ATOM 0 HA ILE A 55 13.115 -3.757 7.507 1.00 0.00 H new ATOM 0 HB ILE A 55 12.621 -4.043 4.488 1.00 0.00 H new ATOM 0 HG12 ILE A 55 14.660 -2.237 4.717 1.00 0.00 H new ATOM 0 HG13 ILE A 55 15.009 -3.230 6.118 1.00 0.00 H new ATOM 0 HG21 ILE A 55 12.432 -1.566 4.539 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.205 -2.323 5.583 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.656 -1.587 6.305 1.00 0.00 H new ATOM 0 HD11 ILE A 55 16.165 -4.115 4.107 1.00 0.00 H new ATOM 0 HD12 ILE A 55 14.956 -5.281 4.695 1.00 0.00 H new ATOM 0 HD13 ILE A 55 14.601 -4.272 3.272 1.00 0.00 H new ATOM 786 N ASN A 56 10.553 -3.670 7.350 1.00 0.00 N ATOM 787 CA ASN A 56 9.086 -3.886 7.543 1.00 0.00 C ATOM 788 C ASN A 56 8.288 -2.815 6.793 1.00 0.00 C ATOM 789 O ASN A 56 7.263 -3.096 6.201 1.00 0.00 O ATOM 790 CB ASN A 56 8.858 -3.776 9.057 1.00 0.00 C ATOM 791 CG ASN A 56 9.320 -2.404 9.561 1.00 0.00 C ATOM 792 OD1 ASN A 56 10.457 -2.023 9.362 1.00 0.00 O ATOM 793 ND2 ASN A 56 8.480 -1.643 10.207 1.00 0.00 N ATOM 0 H ASN A 56 10.900 -2.763 7.662 1.00 0.00 H new ATOM 0 HA ASN A 56 8.758 -4.850 7.156 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.802 -3.919 9.285 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.405 -4.565 9.573 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.777 -0.728 10.545 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.526 -1.963 10.374 1.00 0.00 H new ATOM 800 N THR A 57 8.757 -1.592 6.809 1.00 0.00 N ATOM 801 CA THR A 57 8.039 -0.498 6.090 1.00 0.00 C ATOM 802 C THR A 57 8.766 -0.156 4.786 1.00 0.00 C ATOM 803 O THR A 57 9.940 0.163 4.787 1.00 0.00 O ATOM 804 CB THR A 57 8.068 0.693 7.050 1.00 0.00 C ATOM 805 OG1 THR A 57 9.412 0.959 7.429 1.00 0.00 O ATOM 806 CG2 THR A 57 7.240 0.368 8.294 1.00 0.00 C ATOM 0 H THR A 57 9.609 -1.305 7.291 1.00 0.00 H new ATOM 0 HA THR A 57 7.021 -0.779 5.821 1.00 0.00 H new ATOM 0 HB THR A 57 7.648 1.569 6.556 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.013 0.716 6.694 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.261 1.217 8.977 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.210 0.163 8.002 1.00 0.00 H new ATOM 0 HG23 THR A 57 7.658 -0.508 8.791 1.00 0.00 H new ATOM 814 N ASN A 58 8.065 -0.190 3.682 1.00 0.00 N ATOM 815 CA ASN A 58 8.697 0.166 2.376 1.00 0.00 C ATOM 816 C ASN A 58 7.944 1.327 1.723 1.00 0.00 C ATOM 817 O ASN A 58 7.116 1.967 2.343 1.00 0.00 O ATOM 818 CB ASN A 58 8.580 -1.097 1.522 1.00 0.00 C ATOM 819 CG ASN A 58 9.875 -1.905 1.621 1.00 0.00 C ATOM 820 OD1 ASN A 58 10.523 -2.162 0.625 1.00 0.00 O ATOM 821 ND2 ASN A 58 10.285 -2.318 2.789 1.00 0.00 N ATOM 0 H ASN A 58 7.080 -0.450 3.628 1.00 0.00 H new ATOM 0 HA ASN A 58 9.733 0.485 2.492 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.737 -1.700 1.860 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.385 -0.829 0.484 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.148 -2.856 2.866 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.742 -2.103 3.625 1.00 0.00 H new ATOM 828 N ASN A 59 8.233 1.607 0.477 1.00 0.00 N ATOM 829 CA ASN A 59 7.544 2.731 -0.224 1.00 0.00 C ATOM 830 C ASN A 59 6.926 2.240 -1.536 1.00 0.00 C ATOM 831 O ASN A 59 7.523 1.464 -2.259 1.00 0.00 O ATOM 832 CB ASN A 59 8.643 3.757 -0.502 1.00 0.00 C ATOM 833 CG ASN A 59 8.745 4.728 0.676 1.00 0.00 C ATOM 834 OD1 ASN A 59 8.963 4.320 1.799 1.00 0.00 O ATOM 835 ND2 ASN A 59 8.593 6.007 0.465 1.00 0.00 N ATOM 0 H ASN A 59 8.919 1.103 -0.086 1.00 0.00 H new ATOM 0 HA ASN A 59 6.733 3.151 0.371 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.597 3.252 -0.654 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.422 4.303 -1.419 1.00 0.00 H new ATOM 0 HD21 ASN A 59 8.657 6.663 1.243 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.410 6.350 -0.478 1.00 0.00 H new ATOM 842 N PHE A 60 5.748 2.711 -1.859 1.00 0.00 N ATOM 843 CA PHE A 60 5.099 2.304 -3.142 1.00 0.00 C ATOM 844 C PHE A 60 4.299 3.474 -3.723 1.00 0.00 C ATOM 845 O PHE A 60 3.831 4.335 -3.002 1.00 0.00 O ATOM 846 CB PHE A 60 4.166 1.153 -2.767 1.00 0.00 C ATOM 847 CG PHE A 60 4.978 -0.004 -2.234 1.00 0.00 C ATOM 848 CD1 PHE A 60 5.503 -0.956 -3.116 1.00 0.00 C ATOM 849 CD2 PHE A 60 5.206 -0.123 -0.858 1.00 0.00 C ATOM 850 CE1 PHE A 60 6.255 -2.029 -2.621 1.00 0.00 C ATOM 851 CE2 PHE A 60 5.959 -1.194 -0.363 1.00 0.00 C ATOM 852 CZ PHE A 60 6.483 -2.148 -1.245 1.00 0.00 C ATOM 0 H PHE A 60 5.207 3.361 -1.288 1.00 0.00 H new ATOM 0 HA PHE A 60 5.827 2.009 -3.898 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.448 1.483 -2.016 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.593 0.837 -3.639 1.00 0.00 H new ATOM 0 HD1 PHE A 60 5.328 -0.863 -4.178 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.801 0.612 -0.178 1.00 0.00 H new ATOM 0 HE1 PHE A 60 6.659 -2.765 -3.301 1.00 0.00 H new ATOM 0 HE2 PHE A 60 6.136 -1.285 0.699 1.00 0.00 H new ATOM 0 HZ PHE A 60 7.063 -2.975 -0.863 1.00 0.00 H new ATOM 862 N ALA A 61 4.135 3.504 -5.022 1.00 0.00 N ATOM 863 CA ALA A 61 3.358 4.609 -5.659 1.00 0.00 C ATOM 864 C ALA A 61 1.858 4.308 -5.587 1.00 0.00 C ATOM 865 O ALA A 61 1.444 3.164 -5.608 1.00 0.00 O ATOM 866 CB ALA A 61 3.830 4.639 -7.113 1.00 0.00 C ATOM 0 H ALA A 61 4.507 2.809 -5.669 1.00 0.00 H new ATOM 0 HA ALA A 61 3.515 5.566 -5.161 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.304 5.428 -7.650 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.902 4.832 -7.144 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.621 3.678 -7.583 1.00 0.00 H new ATOM 872 N GLU A 62 1.043 5.330 -5.502 1.00 0.00 N ATOM 873 CA GLU A 62 -0.436 5.112 -5.428 1.00 0.00 C ATOM 874 C GLU A 62 -0.930 4.389 -6.685 1.00 0.00 C ATOM 875 O GLU A 62 -1.850 3.595 -6.632 1.00 0.00 O ATOM 876 CB GLU A 62 -1.052 6.514 -5.328 1.00 0.00 C ATOM 877 CG GLU A 62 -0.661 7.352 -6.551 1.00 0.00 C ATOM 878 CD GLU A 62 -0.512 8.818 -6.139 1.00 0.00 C ATOM 879 OE1 GLU A 62 0.105 9.065 -5.117 1.00 0.00 O ATOM 880 OE2 GLU A 62 -1.017 9.668 -6.855 1.00 0.00 O ATOM 0 H GLU A 62 1.337 6.306 -5.481 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.715 4.491 -4.577 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.137 6.438 -5.262 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.710 7.005 -4.417 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.275 6.985 -6.973 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.420 7.257 -7.328 1.00 0.00 H new ATOM 887 N ASP A 63 -0.270 4.598 -7.797 1.00 0.00 N ATOM 888 CA ASP A 63 -0.636 3.856 -9.043 1.00 0.00 C ATOM 889 C ASP A 63 -0.254 2.375 -8.920 1.00 0.00 C ATOM 890 O ASP A 63 -0.806 1.528 -9.598 1.00 0.00 O ATOM 891 CB ASP A 63 0.158 4.531 -10.169 1.00 0.00 C ATOM 892 CG ASP A 63 1.659 4.457 -9.874 1.00 0.00 C ATOM 893 OD1 ASP A 63 2.168 3.354 -9.758 1.00 0.00 O ATOM 894 OD2 ASP A 63 2.274 5.505 -9.769 1.00 0.00 O ATOM 0 H ASP A 63 0.507 5.251 -7.896 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.709 3.887 -9.233 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.058 4.043 -11.119 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.150 5.572 -10.268 1.00 0.00 H new ATOM 899 N GLU A 64 0.688 2.058 -8.063 1.00 0.00 N ATOM 900 CA GLU A 64 1.110 0.635 -7.898 1.00 0.00 C ATOM 901 C GLU A 64 0.373 -0.009 -6.719 1.00 0.00 C ATOM 902 O GLU A 64 0.854 -0.951 -6.119 1.00 0.00 O ATOM 903 CB GLU A 64 2.612 0.699 -7.619 1.00 0.00 C ATOM 904 CG GLU A 64 3.379 0.770 -8.941 1.00 0.00 C ATOM 905 CD GLU A 64 4.611 1.663 -8.772 1.00 0.00 C ATOM 906 OE1 GLU A 64 5.178 1.659 -7.691 1.00 0.00 O ATOM 907 OE2 GLU A 64 4.966 2.335 -9.726 1.00 0.00 O ATOM 0 H GLU A 64 1.182 2.726 -7.471 1.00 0.00 H new ATOM 0 HA GLU A 64 0.881 0.034 -8.778 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.841 1.571 -7.007 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.924 -0.178 -7.053 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.682 -0.230 -9.252 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.735 1.166 -9.726 1.00 0.00 H new ATOM 914 N LEU A 65 -0.799 0.481 -6.396 1.00 0.00 N ATOM 915 CA LEU A 65 -1.579 -0.112 -5.270 1.00 0.00 C ATOM 916 C LEU A 65 -3.039 -0.311 -5.685 1.00 0.00 C ATOM 917 O LEU A 65 -3.652 0.567 -6.262 1.00 0.00 O ATOM 918 CB LEU A 65 -1.480 0.909 -4.135 1.00 0.00 C ATOM 919 CG LEU A 65 -0.040 0.969 -3.622 1.00 0.00 C ATOM 920 CD1 LEU A 65 0.138 2.209 -2.744 1.00 0.00 C ATOM 921 CD2 LEU A 65 0.260 -0.286 -2.797 1.00 0.00 C ATOM 0 H LEU A 65 -1.248 1.267 -6.866 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.196 -1.089 -4.974 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.792 1.892 -4.488 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.154 0.633 -3.324 1.00 0.00 H new ATOM 0 HG LEU A 65 0.645 1.021 -4.468 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.164 2.252 -2.378 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.076 3.103 -3.329 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.547 2.157 -1.898 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.286 -0.244 -2.431 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.425 -0.338 -1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.133 -1.171 -3.421 1.00 0.00 H new ATOM 933 N VAL A 66 -3.628 -1.414 -5.295 1.00 0.00 N ATOM 934 CA VAL A 66 -5.085 -1.622 -5.552 1.00 0.00 C ATOM 935 C VAL A 66 -5.852 -1.633 -4.225 1.00 0.00 C ATOM 936 O VAL A 66 -5.399 -2.189 -3.242 1.00 0.00 O ATOM 937 CB VAL A 66 -5.178 -2.986 -6.245 1.00 0.00 C ATOM 938 CG1 VAL A 66 -6.642 -3.306 -6.562 1.00 0.00 C ATOM 939 CG2 VAL A 66 -4.377 -2.955 -7.549 1.00 0.00 C ATOM 0 H VAL A 66 -3.161 -2.180 -4.809 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.518 -0.830 -6.164 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.772 -3.751 -5.583 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.704 -4.276 -7.055 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.217 -3.331 -5.637 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.048 -2.538 -7.221 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.444 -3.926 -8.040 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.782 -2.186 -8.207 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.333 -2.731 -7.330 1.00 0.00 H new ATOM 949 N GLU A 67 -7.004 -1.014 -4.192 1.00 0.00 N ATOM 950 CA GLU A 67 -7.802 -0.972 -2.928 1.00 0.00 C ATOM 951 C GLU A 67 -8.519 -2.308 -2.712 1.00 0.00 C ATOM 952 O GLU A 67 -9.256 -2.770 -3.563 1.00 0.00 O ATOM 953 CB GLU A 67 -8.817 0.154 -3.131 1.00 0.00 C ATOM 954 CG GLU A 67 -9.169 0.775 -1.779 1.00 0.00 C ATOM 955 CD GLU A 67 -9.853 2.126 -1.998 1.00 0.00 C ATOM 956 OE1 GLU A 67 -10.713 2.199 -2.861 1.00 0.00 O ATOM 957 OE2 GLU A 67 -9.505 3.064 -1.301 1.00 0.00 O ATOM 0 H GLU A 67 -7.428 -0.535 -4.987 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.176 -0.800 -2.052 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.405 0.914 -3.796 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.716 -0.235 -3.610 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.827 0.109 -1.222 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.267 0.905 -1.181 1.00 0.00 H new ATOM 964 N VAL A 68 -8.329 -2.912 -1.566 1.00 0.00 N ATOM 965 CA VAL A 68 -9.022 -4.203 -1.270 1.00 0.00 C ATOM 966 C VAL A 68 -9.562 -4.200 0.165 1.00 0.00 C ATOM 967 O VAL A 68 -9.707 -5.237 0.784 1.00 0.00 O ATOM 968 CB VAL A 68 -7.952 -5.287 -1.446 1.00 0.00 C ATOM 969 CG1 VAL A 68 -7.450 -5.278 -2.891 1.00 0.00 C ATOM 970 CG2 VAL A 68 -6.773 -5.019 -0.500 1.00 0.00 C ATOM 0 H VAL A 68 -7.723 -2.566 -0.822 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.875 -4.370 -1.927 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.388 -6.258 -1.212 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.689 -6.048 -3.017 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.282 -5.476 -3.567 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.020 -4.303 -3.121 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.018 -5.794 -0.632 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.338 -4.046 -0.727 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.125 -5.027 0.532 1.00 0.00 H new ATOM 980 N GLU A 69 -9.885 -3.041 0.681 1.00 0.00 N ATOM 981 CA GLU A 69 -10.448 -2.962 2.063 1.00 0.00 C ATOM 982 C GLU A 69 -11.736 -2.133 2.062 1.00 0.00 C ATOM 983 O GLU A 69 -11.920 -1.257 2.886 1.00 0.00 O ATOM 984 CB GLU A 69 -9.366 -2.271 2.892 1.00 0.00 C ATOM 985 CG GLU A 69 -9.623 -2.522 4.380 1.00 0.00 C ATOM 986 CD GLU A 69 -9.082 -1.348 5.197 1.00 0.00 C ATOM 987 OE1 GLU A 69 -9.788 -0.360 5.318 1.00 0.00 O ATOM 988 OE2 GLU A 69 -7.971 -1.456 5.688 1.00 0.00 O ATOM 0 H GLU A 69 -9.783 -2.145 0.204 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.703 -3.944 2.463 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.383 -2.649 2.613 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.365 -1.200 2.688 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.691 -2.642 4.560 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.141 -3.449 4.692 1.00 0.00 H new ATOM 995 N ALA A 70 -12.635 -2.422 1.155 1.00 0.00 N ATOM 996 CA ALA A 70 -13.927 -1.673 1.109 1.00 0.00 C ATOM 997 C ALA A 70 -14.925 -2.272 2.114 1.00 0.00 C ATOM 998 O ALA A 70 -14.586 -3.187 2.839 1.00 0.00 O ATOM 999 CB ALA A 70 -14.436 -1.852 -0.321 1.00 0.00 C ATOM 0 H ALA A 70 -12.529 -3.145 0.444 1.00 0.00 H new ATOM 0 HA ALA A 70 -13.805 -0.622 1.371 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -15.385 -1.329 -0.437 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -13.708 -1.442 -1.020 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -14.578 -2.913 -0.526 1.00 0.00 H new ATOM 1005 N PRO A 71 -16.132 -1.739 2.132 1.00 0.00 N ATOM 1006 CA PRO A 71 -17.176 -2.246 3.069 1.00 0.00 C ATOM 1007 C PRO A 71 -17.348 -3.764 2.932 1.00 0.00 C ATOM 1008 O PRO A 71 -16.649 -4.409 2.172 1.00 0.00 O ATOM 1009 CB PRO A 71 -18.444 -1.522 2.620 1.00 0.00 C ATOM 1010 CG PRO A 71 -17.960 -0.284 1.940 1.00 0.00 C ATOM 1011 CD PRO A 71 -16.641 -0.630 1.305 1.00 0.00 C ATOM 0 HA PRO A 71 -16.926 -2.064 4.114 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -19.033 -2.140 1.942 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -19.083 -1.282 3.469 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -18.676 0.050 1.189 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -17.844 0.531 2.655 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -16.765 -0.931 0.265 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -15.959 0.220 1.312 1.00 0.00 H new ATOM 1019 N LYS A 72 -18.310 -4.325 3.620 1.00 0.00 N ATOM 1020 CA LYS A 72 -18.577 -5.790 3.489 1.00 0.00 C ATOM 1021 C LYS A 72 -19.271 -6.083 2.156 1.00 0.00 C ATOM 1022 O LYS A 72 -19.743 -5.185 1.483 1.00 0.00 O ATOM 1023 CB LYS A 72 -19.498 -6.135 4.661 1.00 0.00 C ATOM 1024 CG LYS A 72 -18.748 -5.926 5.978 1.00 0.00 C ATOM 1025 CD LYS A 72 -18.088 -7.238 6.404 1.00 0.00 C ATOM 1026 CE LYS A 72 -18.071 -7.329 7.932 1.00 0.00 C ATOM 1027 NZ LYS A 72 -17.382 -8.615 8.232 1.00 0.00 N ATOM 0 H LYS A 72 -18.923 -3.831 4.268 1.00 0.00 H new ATOM 0 HA LYS A 72 -17.660 -6.379 3.507 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -20.389 -5.508 4.634 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -19.834 -7.169 4.581 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -17.993 -5.149 5.859 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -19.437 -5.586 6.751 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -18.633 -8.084 5.985 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -17.071 -7.289 6.015 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -17.541 -6.485 8.372 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -19.082 -7.318 8.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -17.331 -8.749 9.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -17.913 -9.401 7.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.420 -8.594 7.838 1.00 0.00 H new ATOM 1041 N ALA A 73 -19.349 -7.334 1.780 1.00 0.00 N ATOM 1042 CA ALA A 73 -20.026 -7.698 0.500 1.00 0.00 C ATOM 1043 C ALA A 73 -21.541 -7.781 0.707 1.00 0.00 C ATOM 1044 O ALA A 73 -22.078 -7.230 1.650 1.00 0.00 O ATOM 1045 CB ALA A 73 -19.459 -9.068 0.127 1.00 0.00 C ATOM 0 H ALA A 73 -18.971 -8.121 2.307 1.00 0.00 H new ATOM 0 HA ALA A 73 -19.853 -6.959 -0.283 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -19.909 -9.406 -0.807 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -18.379 -8.993 0.003 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -19.685 -9.783 0.918 1.00 0.00 H new ATOM 1051 N LYS A 74 -22.233 -8.481 -0.161 1.00 0.00 N ATOM 1052 CA LYS A 74 -23.719 -8.627 -0.024 1.00 0.00 C ATOM 1053 C LYS A 74 -24.394 -7.249 0.110 1.00 0.00 C ATOM 1054 O LYS A 74 -24.634 -6.791 1.209 1.00 0.00 O ATOM 1055 CB LYS A 74 -23.933 -9.455 1.248 1.00 0.00 C ATOM 1056 CG LYS A 74 -23.700 -10.935 0.938 1.00 0.00 C ATOM 1057 CD LYS A 74 -24.497 -11.793 1.922 1.00 0.00 C ATOM 1058 CE LYS A 74 -24.977 -13.065 1.218 1.00 0.00 C ATOM 1059 NZ LYS A 74 -25.035 -14.098 2.289 1.00 0.00 N ATOM 0 H LYS A 74 -21.829 -8.961 -0.965 1.00 0.00 H new ATOM 0 HA LYS A 74 -24.157 -9.106 -0.899 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -23.249 -9.124 2.030 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -24.945 -9.306 1.626 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -24.006 -11.156 -0.085 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -22.638 -11.170 1.011 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -23.877 -12.052 2.780 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -25.350 -11.231 2.303 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -25.954 -12.917 0.758 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -24.292 -13.359 0.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -25.356 -15.000 1.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -24.089 -14.222 2.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -25.700 -13.794 3.029 1.00 0.00 H new ATOM 1073 N PRO A 75 -24.679 -6.623 -1.016 1.00 0.00 N ATOM 1074 CA PRO A 75 -25.333 -5.282 -0.999 1.00 0.00 C ATOM 1075 C PRO A 75 -26.609 -5.302 -0.146 1.00 0.00 C ATOM 1076 O PRO A 75 -27.013 -6.334 0.356 1.00 0.00 O ATOM 1077 CB PRO A 75 -25.675 -5.029 -2.467 1.00 0.00 C ATOM 1078 CG PRO A 75 -24.709 -5.869 -3.236 1.00 0.00 C ATOM 1079 CD PRO A 75 -24.426 -7.084 -2.393 1.00 0.00 C ATOM 0 HA PRO A 75 -24.695 -4.510 -0.569 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -26.705 -5.310 -2.687 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -25.571 -3.974 -2.721 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -25.128 -6.156 -4.200 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -23.792 -5.316 -3.439 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -25.075 -7.917 -2.662 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -23.399 -7.427 -2.518 1.00 0.00 H new ATOM 1087 N LYS A 76 -27.255 -4.169 0.002 1.00 0.00 N ATOM 1088 CA LYS A 76 -28.524 -4.106 0.802 1.00 0.00 C ATOM 1089 C LYS A 76 -28.319 -4.708 2.197 1.00 0.00 C ATOM 1090 O LYS A 76 -27.204 -4.946 2.621 1.00 0.00 O ATOM 1091 CB LYS A 76 -29.547 -4.923 0.009 1.00 0.00 C ATOM 1092 CG LYS A 76 -29.750 -4.290 -1.370 1.00 0.00 C ATOM 1093 CD LYS A 76 -30.648 -5.192 -2.219 1.00 0.00 C ATOM 1094 CE LYS A 76 -30.231 -5.091 -3.688 1.00 0.00 C ATOM 1095 NZ LYS A 76 -30.795 -6.310 -4.331 1.00 0.00 N ATOM 0 H LYS A 76 -26.957 -3.280 -0.399 1.00 0.00 H new ATOM 0 HA LYS A 76 -28.854 -3.078 0.952 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -29.202 -5.951 -0.099 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -30.494 -4.959 0.547 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -30.202 -3.304 -1.266 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -28.788 -4.150 -1.863 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -30.571 -6.224 -1.878 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -31.691 -4.896 -2.105 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -30.623 -4.184 -4.148 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -29.146 -5.057 -3.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -30.551 -6.314 -5.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -30.399 -7.157 -3.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -31.830 -6.312 -4.224 1.00 0.00 H new ATOM 1109 N LYS A 77 -29.390 -4.981 2.898 1.00 0.00 N ATOM 1110 CA LYS A 77 -29.270 -5.598 4.253 1.00 0.00 C ATOM 1111 C LYS A 77 -30.143 -6.853 4.342 1.00 0.00 C ATOM 1112 O LYS A 77 -29.970 -7.604 5.287 1.00 0.00 O ATOM 1113 CB LYS A 77 -29.771 -4.526 5.222 1.00 0.00 C ATOM 1114 CG LYS A 77 -29.247 -4.824 6.628 1.00 0.00 C ATOM 1115 CD LYS A 77 -29.867 -3.841 7.623 1.00 0.00 C ATOM 1116 CE LYS A 77 -29.209 -4.018 8.993 1.00 0.00 C ATOM 1117 NZ LYS A 77 -30.286 -3.718 9.977 1.00 0.00 N ATOM 1118 OXT LYS A 77 -30.969 -7.040 3.464 1.00 0.00 O ATOM 0 H LYS A 77 -30.345 -4.802 2.589 1.00 0.00 H new ATOM 0 HA LYS A 77 -28.249 -5.905 4.478 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -29.434 -3.541 4.898 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -30.861 -4.505 5.225 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -29.494 -5.848 6.910 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -28.160 -4.741 6.648 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -29.731 -2.818 7.272 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -30.941 -4.012 7.699 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -28.828 -5.031 9.121 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -28.363 -3.342 9.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -29.912 -3.818 10.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -30.624 -2.745 9.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -31.075 -4.382 9.841 1.00 0.00 H new TER 1132 LYS A 77