USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 811 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 13 SER OG : rot -83:sc= 1.16 USER MOD Set 1.2: A 17 GLN : amide:sc= 1.33 K(o=2.5,f=1.3) USER MOD Set 2.1: A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 44 SER OG : rot -51:sc= 1.18 USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ -154:sc= -0.0504 (180deg=-0.348) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -6.44! C(o=-6.4!,f=-3.7!) USER MOD Single : A 9 SER OG : rot 180:sc= 0.101 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -3.18 X(o=-3.2,f=-3.4) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= -1.24 USER MOD Single : A 43 CYS SG : rot -37:sc= -3.56! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 110:sc= -0.668 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -142:sc= -23.9! (180deg=-28!) USER MOD Single : A 54 LYS NZ :NH3+ 139:sc= -0.71 (180deg=-2.51!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 130:sc=-0.00618 USER MOD Single : A 66 LYS NZ :NH3+ 154:sc= 0.852 (180deg=0.0623) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0.027) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -176:sc= -0.249 USER MOD Single : A 72 MET CE :methyl 164:sc= -1.19 (180deg=-1.75) USER MOD Single : A 74 THR OG1 : rot -84:sc= 0.503! USER MOD Single : A 76 LYS NZ :NH3+ -148:sc= -0.352 (180deg=-1.86!) USER MOD Single : A 78 TYR OH : rot -8:sc= -1.8 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot 43:sc= 0.0311 USER MOD Single : A 83 SER OG : rot 180:sc= 0.109 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 93 SER OG : rot 180:sc= 0.00936 USER MOD Single : A 96 LYS NZ :NH3+ 141:sc= 0.0749 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.486 X(o=-0.49,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 147:sc= -2.97! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 8.051 9.747 -3.781 1.00 0.00 N ATOM 2 CA SER A 1 7.008 10.344 -2.901 1.00 0.00 C ATOM 3 C SER A 1 5.764 9.466 -2.842 1.00 0.00 C ATOM 4 O SER A 1 5.043 9.330 -3.831 1.00 0.00 O ATOM 5 CB SER A 1 6.640 11.731 -3.438 1.00 0.00 C ATOM 6 OG SER A 1 7.600 12.700 -3.054 1.00 0.00 O ATOM 0 H1 SER A 1 8.885 10.368 -3.801 1.00 0.00 H new ATOM 0 H2 SER A 1 8.323 8.813 -3.413 1.00 0.00 H new ATOM 0 H3 SER A 1 7.674 9.643 -4.745 1.00 0.00 H new ATOM 0 HA SER A 1 7.407 10.424 -1.890 1.00 0.00 H new ATOM 0 HB2 SER A 1 6.569 11.696 -4.525 1.00 0.00 H new ATOM 0 HB3 SER A 1 5.658 12.020 -3.064 1.00 0.00 H new ATOM 0 HG SER A 1 7.342 13.575 -3.411 1.00 0.00 H new ATOM 11 N VAL A 2 5.507 8.881 -1.678 1.00 0.00 N ATOM 12 CA VAL A 2 4.336 8.030 -1.504 1.00 0.00 C ATOM 13 C VAL A 2 3.064 8.869 -1.672 1.00 0.00 C ATOM 14 O VAL A 2 2.985 9.999 -1.191 1.00 0.00 O ATOM 15 CB VAL A 2 4.353 7.293 -0.138 1.00 0.00 C ATOM 16 CG1 VAL A 2 3.494 6.040 -0.205 1.00 0.00 C ATOM 17 CG2 VAL A 2 5.778 6.926 0.258 1.00 0.00 C ATOM 0 H VAL A 2 6.089 8.979 -0.846 1.00 0.00 H new ATOM 0 HA VAL A 2 4.354 7.256 -2.272 1.00 0.00 H new ATOM 0 HB VAL A 2 3.944 7.964 0.617 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.515 5.533 0.760 1.00 0.00 H new ATOM 0 HG12 VAL A 2 2.468 6.315 -0.448 1.00 0.00 H new ATOM 0 HG13 VAL A 2 3.883 5.373 -0.974 1.00 0.00 H new ATOM 0 HG21 VAL A 2 5.767 6.410 1.218 1.00 0.00 H new ATOM 0 HG22 VAL A 2 6.209 6.272 -0.500 1.00 0.00 H new ATOM 0 HG23 VAL A 2 6.378 7.832 0.340 1.00 0.00 H new ATOM 27 N LYS A 3 2.099 8.328 -2.413 1.00 0.00 N ATOM 28 CA LYS A 3 0.852 9.031 -2.723 1.00 0.00 C ATOM 29 C LYS A 3 -0.297 8.640 -1.810 1.00 0.00 C ATOM 30 O LYS A 3 -0.476 7.478 -1.484 1.00 0.00 O ATOM 31 CB LYS A 3 0.450 8.736 -4.165 1.00 0.00 C ATOM 32 CG LYS A 3 0.299 9.989 -4.986 1.00 0.00 C ATOM 33 CD LYS A 3 -0.752 9.842 -6.076 1.00 0.00 C ATOM 34 CE LYS A 3 -1.593 11.102 -6.208 1.00 0.00 C ATOM 35 NZ LYS A 3 -2.436 11.336 -5.003 1.00 0.00 N ATOM 0 H LYS A 3 2.157 7.393 -2.815 1.00 0.00 H new ATOM 0 HA LYS A 3 1.044 10.093 -2.572 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.200 8.092 -4.624 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.490 8.185 -4.172 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.028 10.818 -4.333 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.257 10.241 -5.440 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -0.265 9.626 -7.027 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.398 8.994 -5.849 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.939 11.960 -6.366 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.232 11.022 -7.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -3.274 11.892 -5.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -2.737 10.423 -4.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.886 11.857 -4.291 1.00 0.00 H new ATOM 49 N ILE A 4 -1.091 9.633 -1.432 1.00 0.00 N ATOM 50 CA ILE A 4 -2.260 9.413 -0.585 1.00 0.00 C ATOM 51 C ILE A 4 -3.528 9.709 -1.381 1.00 0.00 C ATOM 52 O ILE A 4 -3.696 10.814 -1.898 1.00 0.00 O ATOM 53 CB ILE A 4 -2.228 10.299 0.680 1.00 0.00 C ATOM 54 CG1 ILE A 4 -0.951 10.036 1.480 1.00 0.00 C ATOM 55 CG2 ILE A 4 -3.457 10.047 1.545 1.00 0.00 C ATOM 56 CD1 ILE A 4 -0.820 10.899 2.716 1.00 0.00 C ATOM 0 H ILE A 4 -0.947 10.606 -1.700 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.249 8.371 -0.264 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.237 11.343 0.368 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -0.927 8.987 1.776 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -0.088 10.205 0.836 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -3.415 10.681 2.431 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -4.357 10.279 0.975 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -3.480 9.000 1.849 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.109 10.657 3.232 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -0.811 11.950 2.427 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.663 10.713 3.381 1.00 0.00 H new ATOM 68 N VAL A 5 -4.412 8.720 -1.501 1.00 0.00 N ATOM 69 CA VAL A 5 -5.641 8.898 -2.262 1.00 0.00 C ATOM 70 C VAL A 5 -6.858 8.938 -1.334 1.00 0.00 C ATOM 71 O VAL A 5 -7.004 8.094 -0.450 1.00 0.00 O ATOM 72 CB VAL A 5 -5.769 7.781 -3.314 1.00 0.00 C ATOM 73 CG1 VAL A 5 -5.653 6.419 -2.661 1.00 0.00 C ATOM 74 CG2 VAL A 5 -7.063 7.888 -4.094 1.00 0.00 C ATOM 0 H VAL A 5 -4.299 7.796 -1.084 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.601 9.856 -2.781 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.949 7.903 -4.022 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.746 5.642 -3.420 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.684 6.332 -2.170 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -6.446 6.301 -1.922 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.114 7.082 -4.826 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -7.908 7.811 -3.410 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.099 8.848 -4.609 1.00 0.00 H new ATOM 84 N THR A 6 -7.704 9.956 -1.513 1.00 0.00 N ATOM 85 CA THR A 6 -8.879 10.142 -0.659 1.00 0.00 C ATOM 86 C THR A 6 -10.194 9.731 -1.324 1.00 0.00 C ATOM 87 O THR A 6 -11.267 10.024 -0.798 1.00 0.00 O ATOM 88 CB THR A 6 -9.003 11.608 -0.206 1.00 0.00 C ATOM 89 OG1 THR A 6 -9.449 12.423 -1.297 1.00 0.00 O ATOM 90 CG2 THR A 6 -7.670 12.130 0.310 1.00 0.00 C ATOM 0 H THR A 6 -7.597 10.663 -2.241 1.00 0.00 H new ATOM 0 HA THR A 6 -8.716 9.485 0.195 1.00 0.00 H new ATOM 0 HB THR A 6 -9.732 11.654 0.603 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.527 13.354 -1.000 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.783 13.168 0.624 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.347 11.527 1.159 1.00 0.00 H new ATOM 0 HG23 THR A 6 -6.924 12.070 -0.483 1.00 0.00 H new ATOM 98 N SER A 7 -10.128 9.051 -2.464 1.00 0.00 N ATOM 99 CA SER A 7 -11.350 8.622 -3.144 1.00 0.00 C ATOM 100 C SER A 7 -11.366 7.111 -3.344 1.00 0.00 C ATOM 101 O SER A 7 -10.316 6.475 -3.434 1.00 0.00 O ATOM 102 CB SER A 7 -11.490 9.328 -4.495 1.00 0.00 C ATOM 103 OG SER A 7 -12.853 9.536 -4.821 1.00 0.00 O ATOM 0 H SER A 7 -9.260 8.788 -2.931 1.00 0.00 H new ATOM 0 HA SER A 7 -12.195 8.895 -2.512 1.00 0.00 H new ATOM 0 HB2 SER A 7 -10.970 10.285 -4.465 1.00 0.00 H new ATOM 0 HB3 SER A 7 -11.014 8.731 -5.272 1.00 0.00 H new ATOM 0 HG SER A 7 -12.917 9.990 -5.687 1.00 0.00 H new ATOM 109 N GLN A 8 -12.568 6.541 -3.412 1.00 0.00 N ATOM 110 CA GLN A 8 -12.716 5.101 -3.601 1.00 0.00 C ATOM 111 C GLN A 8 -12.347 4.693 -5.030 1.00 0.00 C ATOM 112 O GLN A 8 -11.553 3.777 -5.239 1.00 0.00 O ATOM 113 CB GLN A 8 -14.158 4.682 -3.266 1.00 0.00 C ATOM 114 CG GLN A 8 -14.655 3.450 -4.010 1.00 0.00 C ATOM 115 CD GLN A 8 -14.019 2.166 -3.514 1.00 0.00 C ATOM 116 OE1 GLN A 8 -14.714 1.219 -3.145 1.00 0.00 O ATOM 117 NE2 GLN A 8 -12.691 2.125 -3.501 1.00 0.00 N ATOM 0 H GLN A 8 -13.448 7.052 -3.339 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.032 4.586 -2.927 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.227 4.494 -2.195 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -14.824 5.516 -3.487 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -15.737 3.379 -3.903 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -14.447 3.565 -5.074 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -12.153 2.932 -3.815 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -12.210 1.286 -3.177 1.00 0.00 H new ATOM 126 N SER A 9 -12.921 5.382 -6.001 1.00 0.00 N ATOM 127 CA SER A 9 -12.649 5.103 -7.406 1.00 0.00 C ATOM 128 C SER A 9 -11.212 5.466 -7.742 1.00 0.00 C ATOM 129 O SER A 9 -10.532 4.738 -8.462 1.00 0.00 O ATOM 130 CB SER A 9 -13.615 5.880 -8.304 1.00 0.00 C ATOM 131 OG SER A 9 -14.175 6.985 -7.616 1.00 0.00 O ATOM 0 H SER A 9 -13.582 6.143 -5.844 1.00 0.00 H new ATOM 0 HA SER A 9 -12.794 4.037 -7.583 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.089 6.230 -9.192 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.411 5.218 -8.645 1.00 0.00 H new ATOM 0 HG SER A 9 -14.787 7.465 -8.212 1.00 0.00 H new ATOM 137 N GLU A 10 -10.742 6.585 -7.197 1.00 0.00 N ATOM 138 CA GLU A 10 -9.371 7.016 -7.427 1.00 0.00 C ATOM 139 C GLU A 10 -8.415 5.941 -6.928 1.00 0.00 C ATOM 140 O GLU A 10 -7.361 5.706 -7.517 1.00 0.00 O ATOM 141 CB GLU A 10 -9.092 8.343 -6.719 1.00 0.00 C ATOM 142 CG GLU A 10 -7.838 9.046 -7.215 1.00 0.00 C ATOM 143 CD GLU A 10 -8.149 10.235 -8.103 1.00 0.00 C ATOM 144 OE1 GLU A 10 -8.277 10.042 -9.331 1.00 0.00 O ATOM 145 OE2 GLU A 10 -8.263 11.359 -7.571 1.00 0.00 O ATOM 0 H GLU A 10 -11.288 7.204 -6.598 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.222 7.168 -8.496 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.947 9.005 -6.855 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.997 8.161 -5.648 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.251 9.380 -6.360 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.222 8.336 -7.767 1.00 0.00 H new ATOM 152 N PHE A 11 -8.814 5.273 -5.848 1.00 0.00 N ATOM 153 CA PHE A 11 -8.018 4.199 -5.275 1.00 0.00 C ATOM 154 C PHE A 11 -7.979 3.029 -6.240 1.00 0.00 C ATOM 155 O PHE A 11 -6.913 2.523 -6.576 1.00 0.00 O ATOM 156 CB PHE A 11 -8.635 3.754 -3.945 1.00 0.00 C ATOM 157 CG PHE A 11 -8.237 2.374 -3.516 1.00 0.00 C ATOM 158 CD1 PHE A 11 -6.921 2.076 -3.216 1.00 0.00 C ATOM 159 CD2 PHE A 11 -9.187 1.376 -3.412 1.00 0.00 C ATOM 160 CE1 PHE A 11 -6.562 0.805 -2.818 1.00 0.00 C ATOM 161 CE2 PHE A 11 -8.838 0.106 -3.015 1.00 0.00 C ATOM 162 CZ PHE A 11 -7.525 -0.183 -2.717 1.00 0.00 C ATOM 0 H PHE A 11 -9.686 5.460 -5.354 1.00 0.00 H new ATOM 0 HA PHE A 11 -7.003 4.554 -5.097 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -8.346 4.462 -3.168 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -9.721 3.798 -4.028 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.167 2.845 -3.294 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -10.218 1.596 -3.646 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.531 0.582 -2.586 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -9.592 -0.663 -2.937 1.00 0.00 H new ATOM 0 HZ PHE A 11 -7.248 -1.179 -2.405 1.00 0.00 H new ATOM 172 N ASP A 12 -9.158 2.628 -6.692 1.00 0.00 N ATOM 173 CA ASP A 12 -9.287 1.528 -7.639 1.00 0.00 C ATOM 174 C ASP A 12 -8.678 1.913 -8.978 1.00 0.00 C ATOM 175 O ASP A 12 -8.190 1.063 -9.723 1.00 0.00 O ATOM 176 CB ASP A 12 -10.759 1.174 -7.836 1.00 0.00 C ATOM 177 CG ASP A 12 -11.341 0.418 -6.658 1.00 0.00 C ATOM 178 OD1 ASP A 12 -10.951 0.717 -5.511 1.00 0.00 O ATOM 179 OD2 ASP A 12 -12.186 -0.473 -6.884 1.00 0.00 O ATOM 0 H ASP A 12 -10.045 3.050 -6.417 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.758 0.663 -7.238 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.331 2.089 -7.994 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.866 0.572 -8.738 1.00 0.00 H new ATOM 184 N SER A 13 -8.715 3.206 -9.275 1.00 0.00 N ATOM 185 CA SER A 13 -8.173 3.720 -10.520 1.00 0.00 C ATOM 186 C SER A 13 -6.673 3.514 -10.566 1.00 0.00 C ATOM 187 O SER A 13 -6.125 3.066 -11.572 1.00 0.00 O ATOM 188 CB SER A 13 -8.499 5.204 -10.671 1.00 0.00 C ATOM 189 OG SER A 13 -8.211 5.662 -11.980 1.00 0.00 O ATOM 0 H SER A 13 -9.117 3.918 -8.666 1.00 0.00 H new ATOM 0 HA SER A 13 -8.630 3.174 -11.345 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.553 5.372 -10.448 1.00 0.00 H new ATOM 0 HB3 SER A 13 -7.924 5.781 -9.947 1.00 0.00 H new ATOM 0 HG SER A 13 -7.256 5.872 -12.050 1.00 0.00 H new ATOM 195 N ILE A 14 -6.012 3.833 -9.462 1.00 0.00 N ATOM 196 CA ILE A 14 -4.571 3.666 -9.378 1.00 0.00 C ATOM 197 C ILE A 14 -4.193 2.208 -9.596 1.00 0.00 C ATOM 198 O ILE A 14 -3.169 1.893 -10.202 1.00 0.00 O ATOM 199 CB ILE A 14 -4.045 4.116 -8.000 1.00 0.00 C ATOM 200 CG1 ILE A 14 -4.281 5.617 -7.772 1.00 0.00 C ATOM 201 CG2 ILE A 14 -2.568 3.780 -7.856 1.00 0.00 C ATOM 202 CD1 ILE A 14 -4.437 6.425 -9.043 1.00 0.00 C ATOM 0 H ILE A 14 -6.448 4.206 -8.619 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.120 4.284 -10.154 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.603 3.572 -7.238 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.176 5.743 -7.163 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -3.446 6.021 -7.199 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.215 4.105 -6.877 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.429 2.703 -7.953 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.001 4.291 -8.634 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.600 7.473 -8.790 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.533 6.333 -9.646 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -5.290 6.051 -9.609 1.00 0.00 H new ATOM 214 N ILE A 15 -5.028 1.334 -9.068 1.00 0.00 N ATOM 215 CA ILE A 15 -4.807 -0.107 -9.156 1.00 0.00 C ATOM 216 C ILE A 15 -4.819 -0.612 -10.607 1.00 0.00 C ATOM 217 O ILE A 15 -4.027 -1.476 -10.980 1.00 0.00 O ATOM 218 CB ILE A 15 -5.879 -0.875 -8.351 1.00 0.00 C ATOM 219 CG1 ILE A 15 -6.096 -0.210 -7.007 1.00 0.00 C ATOM 220 CG2 ILE A 15 -5.457 -2.316 -8.125 1.00 0.00 C ATOM 221 CD1 ILE A 15 -4.830 -0.126 -6.195 1.00 0.00 C ATOM 0 H ILE A 15 -5.877 1.595 -8.567 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.819 -0.293 -8.735 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.805 -0.860 -8.926 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.492 0.794 -7.161 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.847 -0.767 -6.447 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.228 -2.836 -7.556 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.320 -2.810 -9.087 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.519 -2.338 -7.569 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.041 0.359 -5.242 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.446 -1.130 -6.015 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.086 0.454 -6.740 1.00 0.00 H new ATOM 233 N SER A 16 -5.755 -0.093 -11.399 1.00 0.00 N ATOM 234 CA SER A 16 -5.931 -0.512 -12.801 1.00 0.00 C ATOM 235 C SER A 16 -5.052 0.239 -13.817 1.00 0.00 C ATOM 236 O SER A 16 -4.803 -0.266 -14.911 1.00 0.00 O ATOM 237 CB SER A 16 -7.401 -0.356 -13.199 1.00 0.00 C ATOM 238 OG SER A 16 -8.038 -1.618 -13.303 1.00 0.00 O ATOM 0 H SER A 16 -6.412 0.626 -11.096 1.00 0.00 H new ATOM 0 HA SER A 16 -5.610 -1.553 -12.838 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.918 0.256 -12.460 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.469 0.169 -14.152 1.00 0.00 H new ATOM 0 HG SER A 16 -8.976 -1.491 -13.557 1.00 0.00 H new ATOM 244 N GLN A 17 -4.634 1.452 -13.484 1.00 0.00 N ATOM 245 CA GLN A 17 -3.841 2.279 -14.412 1.00 0.00 C ATOM 246 C GLN A 17 -2.345 1.976 -14.362 1.00 0.00 C ATOM 247 O GLN A 17 -1.535 2.744 -14.879 1.00 0.00 O ATOM 248 CB GLN A 17 -4.066 3.764 -14.127 1.00 0.00 C ATOM 249 CG GLN A 17 -5.230 4.359 -14.900 1.00 0.00 C ATOM 250 CD GLN A 17 -6.294 4.951 -13.997 1.00 0.00 C ATOM 251 OE1 GLN A 17 -5.992 5.714 -13.080 1.00 0.00 O ATOM 252 NE2 GLN A 17 -7.548 4.599 -14.255 1.00 0.00 N ATOM 0 H GLN A 17 -4.825 1.893 -12.584 1.00 0.00 H new ATOM 0 HA GLN A 17 -4.189 2.029 -15.414 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.242 3.899 -13.060 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.158 4.315 -14.372 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -4.857 5.133 -15.570 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.679 3.586 -15.524 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -7.751 3.963 -15.026 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -8.308 4.964 -13.682 1.00 0.00 H new ATOM 261 N ASN A 18 -1.981 0.872 -13.739 1.00 0.00 N ATOM 262 CA ASN A 18 -0.582 0.490 -13.622 1.00 0.00 C ATOM 263 C ASN A 18 -0.435 -1.025 -13.540 1.00 0.00 C ATOM 264 O ASN A 18 -1.330 -1.720 -13.061 1.00 0.00 O ATOM 265 CB ASN A 18 0.034 1.147 -12.386 1.00 0.00 C ATOM 266 CG ASN A 18 -0.276 2.629 -12.304 1.00 0.00 C ATOM 267 OD1 ASN A 18 0.550 3.469 -12.662 1.00 0.00 O ATOM 268 ND2 ASN A 18 -1.472 2.958 -11.831 1.00 0.00 N ATOM 0 H ASN A 18 -2.634 0.221 -13.304 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.055 0.834 -14.512 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.339 0.651 -11.490 1.00 0.00 H new ATOM 0 HB3 ASN A 18 1.115 1.005 -12.403 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.737 3.940 -11.753 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.126 2.229 -11.546 1.00 0.00 H new ATOM 275 N GLU A 19 0.701 -1.532 -14.008 1.00 0.00 N ATOM 276 CA GLU A 19 0.962 -2.965 -13.982 1.00 0.00 C ATOM 277 C GLU A 19 1.132 -3.455 -12.556 1.00 0.00 C ATOM 278 O GLU A 19 0.558 -4.474 -12.177 1.00 0.00 O ATOM 279 CB GLU A 19 2.204 -3.300 -14.810 1.00 0.00 C ATOM 280 CG GLU A 19 1.956 -4.353 -15.877 1.00 0.00 C ATOM 281 CD GLU A 19 2.773 -4.114 -17.132 1.00 0.00 C ATOM 282 OE1 GLU A 19 3.846 -3.482 -17.030 1.00 0.00 O ATOM 283 OE2 GLU A 19 2.340 -4.558 -18.216 1.00 0.00 O ATOM 0 H GLU A 19 1.454 -0.972 -14.409 1.00 0.00 H new ATOM 0 HA GLU A 19 0.104 -3.474 -14.421 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.569 -2.390 -15.287 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.992 -3.649 -14.143 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.195 -5.337 -15.474 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.897 -4.363 -16.134 1.00 0.00 H new ATOM 290 N LEU A 20 1.914 -2.735 -11.760 1.00 0.00 N ATOM 291 CA LEU A 20 2.129 -3.126 -10.386 1.00 0.00 C ATOM 292 C LEU A 20 1.843 -1.957 -9.466 1.00 0.00 C ATOM 293 O LEU A 20 2.346 -0.854 -9.680 1.00 0.00 O ATOM 294 CB LEU A 20 3.572 -3.590 -10.222 1.00 0.00 C ATOM 295 CG LEU A 20 3.819 -4.794 -9.308 1.00 0.00 C ATOM 296 CD1 LEU A 20 2.622 -5.734 -9.247 1.00 0.00 C ATOM 297 CD2 LEU A 20 5.050 -5.552 -9.785 1.00 0.00 C ATOM 0 H LEU A 20 2.402 -1.886 -12.046 1.00 0.00 H new ATOM 0 HA LEU A 20 1.456 -3.942 -10.125 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.964 -3.830 -11.210 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.156 -2.752 -9.842 1.00 0.00 H new ATOM 0 HG LEU A 20 3.980 -4.413 -8.300 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.849 -6.570 -8.586 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.755 -5.195 -8.865 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.404 -6.110 -10.246 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.225 -6.409 -9.134 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.891 -5.899 -10.806 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.917 -4.892 -9.757 1.00 0.00 H new ATOM 309 N VAL A 21 1.034 -2.189 -8.441 1.00 0.00 N ATOM 310 CA VAL A 21 0.707 -1.117 -7.513 1.00 0.00 C ATOM 311 C VAL A 21 0.761 -1.571 -6.074 1.00 0.00 C ATOM 312 O VAL A 21 0.119 -2.545 -5.690 1.00 0.00 O ATOM 313 CB VAL A 21 -0.681 -0.494 -7.797 1.00 0.00 C ATOM 314 CG1 VAL A 21 -0.836 0.819 -7.046 1.00 0.00 C ATOM 315 CG2 VAL A 21 -0.883 -0.282 -9.289 1.00 0.00 C ATOM 0 H VAL A 21 0.601 -3.089 -8.234 1.00 0.00 H new ATOM 0 HA VAL A 21 1.470 -0.355 -7.671 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.445 -1.187 -7.446 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.817 1.245 -7.256 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.740 0.639 -5.975 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.062 1.516 -7.368 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.865 0.157 -9.464 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.113 0.389 -9.669 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.816 -1.240 -9.805 1.00 0.00 H new ATOM 325 N ILE A 22 1.512 -0.834 -5.269 1.00 0.00 N ATOM 326 CA ILE A 22 1.616 -1.156 -3.856 1.00 0.00 C ATOM 327 C ILE A 22 0.956 -0.067 -3.038 1.00 0.00 C ATOM 328 O ILE A 22 1.264 1.117 -3.170 1.00 0.00 O ATOM 329 CB ILE A 22 3.076 -1.343 -3.398 1.00 0.00 C ATOM 330 CG1 ILE A 22 3.148 -1.558 -1.880 1.00 0.00 C ATOM 331 CG2 ILE A 22 3.927 -0.154 -3.813 1.00 0.00 C ATOM 332 CD1 ILE A 22 3.685 -2.917 -1.485 1.00 0.00 C ATOM 0 H ILE A 22 2.051 -0.020 -5.565 1.00 0.00 H new ATOM 0 HA ILE A 22 1.106 -2.107 -3.700 1.00 0.00 H new ATOM 0 HB ILE A 22 3.473 -2.233 -3.886 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.780 -0.786 -1.442 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.152 -1.433 -1.456 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.953 -0.307 -3.480 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.909 -0.055 -4.898 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.530 0.754 -3.359 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.707 -2.998 -0.398 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.041 -3.696 -1.893 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.694 -3.038 -1.879 1.00 0.00 H new ATOM 344 N VAL A 23 0.033 -0.496 -2.202 1.00 0.00 N ATOM 345 CA VAL A 23 -0.714 0.403 -1.350 1.00 0.00 C ATOM 346 C VAL A 23 -0.656 -0.031 0.084 1.00 0.00 C ATOM 347 O VAL A 23 -0.796 -1.213 0.400 1.00 0.00 O ATOM 348 CB VAL A 23 -2.206 0.461 -1.728 1.00 0.00 C ATOM 349 CG1 VAL A 23 -2.949 1.476 -0.864 1.00 0.00 C ATOM 350 CG2 VAL A 23 -2.379 0.782 -3.188 1.00 0.00 C ATOM 0 H VAL A 23 -0.220 -1.478 -2.095 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.251 1.380 -1.486 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.636 -0.523 -1.542 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.000 1.498 -1.151 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.865 1.192 0.185 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.513 2.465 -1.008 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.441 0.817 -3.429 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.926 1.749 -3.404 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.896 0.012 -3.790 1.00 0.00 H new ATOM 360 N ASP A 24 -0.512 0.936 0.953 1.00 0.00 N ATOM 361 CA ASP A 24 -0.507 0.659 2.361 1.00 0.00 C ATOM 362 C ASP A 24 -1.865 1.013 2.929 1.00 0.00 C ATOM 363 O ASP A 24 -2.166 2.185 3.141 1.00 0.00 O ATOM 364 CB ASP A 24 0.571 1.466 3.081 1.00 0.00 C ATOM 365 CG ASP A 24 0.448 2.949 2.809 1.00 0.00 C ATOM 366 OD1 ASP A 24 0.291 3.317 1.628 1.00 0.00 O ATOM 367 OD2 ASP A 24 0.508 3.740 3.773 1.00 0.00 O ATOM 0 H ASP A 24 -0.397 1.920 0.708 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.292 -0.399 2.510 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.501 1.288 4.154 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.555 1.120 2.764 1.00 0.00 H new ATOM 372 N PHE A 25 -2.668 0.000 3.218 1.00 0.00 N ATOM 373 CA PHE A 25 -3.962 0.243 3.816 1.00 0.00 C ATOM 374 C PHE A 25 -3.630 0.397 5.271 1.00 0.00 C ATOM 375 O PHE A 25 -3.113 -0.523 5.906 1.00 0.00 O ATOM 376 CB PHE A 25 -4.901 -0.937 3.539 1.00 0.00 C ATOM 377 CG PHE A 25 -5.056 -1.221 2.064 1.00 0.00 C ATOM 378 CD1 PHE A 25 -4.062 -1.886 1.358 1.00 0.00 C ATOM 379 CD2 PHE A 25 -6.184 -0.801 1.379 1.00 0.00 C ATOM 380 CE1 PHE A 25 -4.191 -2.124 -0.001 1.00 0.00 C ATOM 381 CE2 PHE A 25 -6.322 -1.040 0.023 1.00 0.00 C ATOM 382 CZ PHE A 25 -5.322 -1.702 -0.673 1.00 0.00 C ATOM 0 H PHE A 25 -2.447 -0.981 3.050 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.487 1.114 3.424 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.518 -1.827 4.038 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -5.880 -0.727 3.970 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.176 -2.222 1.876 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -6.967 -0.280 1.910 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -3.407 -2.640 -0.535 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.211 -0.710 -0.494 1.00 0.00 H new ATOM 0 HZ PHE A 25 -5.426 -1.886 -1.732 1.00 0.00 H new ATOM 392 N PHE A 26 -3.789 1.618 5.751 1.00 0.00 N ATOM 393 CA PHE A 26 -3.350 1.942 7.093 1.00 0.00 C ATOM 394 C PHE A 26 -4.399 2.912 7.849 1.00 0.00 C ATOM 395 O PHE A 26 -5.397 3.262 7.215 1.00 0.00 O ATOM 396 CB PHE A 26 -1.990 2.655 7.033 1.00 0.00 C ATOM 397 CG PHE A 26 -2.109 4.067 6.498 1.00 0.00 C ATOM 398 CD1 PHE A 26 -2.597 4.295 5.216 1.00 0.00 C ATOM 399 CD2 PHE A 26 -1.770 5.166 7.281 1.00 0.00 C ATOM 400 CE1 PHE A 26 -2.742 5.579 4.724 1.00 0.00 C ATOM 401 CE2 PHE A 26 -1.917 6.452 6.792 1.00 0.00 C ATOM 402 CZ PHE A 26 -2.402 6.659 5.515 1.00 0.00 C ATOM 0 H PHE A 26 -4.213 2.391 5.238 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.275 1.006 7.647 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.551 2.682 8.030 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.310 2.084 6.401 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.867 3.455 4.594 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.389 5.014 8.280 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.120 5.737 3.725 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.652 7.297 7.411 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.515 7.664 5.136 1.00 0.00 H new ATOM 412 N ALA A 27 -4.201 3.419 9.168 1.00 0.00 N ATOM 413 CA ALA A 27 -5.150 4.326 9.791 1.00 0.00 C ATOM 414 C ALA A 27 -4.313 5.346 10.639 1.00 0.00 C ATOM 415 O ALA A 27 -3.302 4.986 11.240 1.00 0.00 O ATOM 416 CB ALA A 27 -6.215 3.494 10.578 1.00 0.00 C ATOM 0 H ALA A 27 -3.398 3.185 9.752 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.734 4.910 9.080 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.930 4.170 11.048 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.740 2.831 9.890 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.718 2.900 11.346 1.00 0.00 H new ATOM 422 N GLU A 28 -4.694 6.624 10.558 1.00 0.00 N ATOM 423 CA GLU A 28 -3.979 7.823 11.188 1.00 0.00 C ATOM 424 C GLU A 28 -3.614 7.907 12.818 1.00 0.00 C ATOM 425 O GLU A 28 -3.091 8.959 13.183 1.00 0.00 O ATOM 426 CB GLU A 28 -4.940 8.992 11.006 1.00 0.00 C ATOM 427 CG GLU A 28 -4.231 10.318 11.122 1.00 0.00 C ATOM 428 CD GLU A 28 -5.062 11.380 11.820 1.00 0.00 C ATOM 429 OE1 GLU A 28 -6.173 11.054 12.289 1.00 0.00 O ATOM 430 OE2 GLU A 28 -4.599 12.537 11.899 1.00 0.00 O ATOM 0 H GLU A 28 -5.531 6.900 10.044 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.007 7.785 10.697 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.420 8.920 10.030 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.730 8.934 11.755 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.298 10.178 11.669 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.966 10.670 10.125 1.00 0.00 H new ATOM 437 N TRP A 29 -3.933 6.956 13.847 1.00 0.00 N ATOM 438 CA TRP A 29 -3.681 7.217 15.335 1.00 0.00 C ATOM 439 C TRP A 29 -2.582 6.176 15.850 1.00 0.00 C ATOM 440 O TRP A 29 -2.353 6.153 17.060 1.00 0.00 O ATOM 441 CB TRP A 29 -5.188 7.089 16.017 1.00 0.00 C ATOM 442 CG TRP A 29 -6.221 5.957 15.528 1.00 0.00 C ATOM 443 CD1 TRP A 29 -7.455 5.968 14.682 1.00 0.00 C ATOM 444 CD2 TRP A 29 -6.182 4.597 16.021 1.00 0.00 C ATOM 445 NE1 TRP A 29 -7.901 4.674 14.531 1.00 0.00 N ATOM 446 CE2 TRP A 29 -7.173 3.839 15.331 1.00 0.00 C ATOM 447 CE3 TRP A 29 -5.348 3.918 16.933 1.00 0.00 C ATOM 448 CZ2 TRP A 29 -7.328 2.468 15.523 1.00 0.00 C ATOM 449 CZ3 TRP A 29 -5.530 2.561 17.127 1.00 0.00 C ATOM 450 CH2 TRP A 29 -6.498 1.848 16.413 1.00 0.00 C ATOM 0 H TRP A 29 -4.348 6.044 13.655 1.00 0.00 H new ATOM 0 HA TRP A 29 -3.263 8.190 15.593 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -5.044 6.949 17.088 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.682 8.052 15.885 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -7.920 6.847 14.259 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -8.660 4.383 13.915 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.578 4.450 17.472 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.081 1.912 14.985 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.912 2.041 17.844 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.591 0.783 16.569 1.00 0.00 H new ATOM 461 N CYS A 30 -1.900 5.248 14.986 1.00 0.00 N ATOM 462 CA CYS A 30 -0.950 4.296 15.550 1.00 0.00 C ATOM 463 C CYS A 30 0.509 4.692 15.309 1.00 0.00 C ATOM 464 O CYS A 30 0.827 5.443 14.387 1.00 0.00 O ATOM 465 CB CYS A 30 -1.208 2.905 14.940 1.00 0.00 C ATOM 466 SG CYS A 30 -1.592 2.886 13.143 1.00 0.00 S ATOM 0 H CYS A 30 -2.025 5.192 13.975 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.104 4.286 16.629 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -0.329 2.284 15.112 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.036 2.441 15.475 1.00 0.00 H new ATOM 471 N GLY A 31 1.396 4.155 16.145 1.00 0.00 N ATOM 472 CA GLY A 31 2.816 4.421 16.002 1.00 0.00 C ATOM 473 C GLY A 31 3.420 3.780 14.755 1.00 0.00 C ATOM 474 O GLY A 31 4.127 4.445 13.999 1.00 0.00 O ATOM 0 H GLY A 31 1.154 3.539 16.921 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.976 5.498 15.964 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.340 4.052 16.884 1.00 0.00 H new ATOM 478 N PRO A 32 3.162 2.473 14.515 1.00 0.00 N ATOM 479 CA PRO A 32 3.701 1.742 13.351 1.00 0.00 C ATOM 480 C PRO A 32 3.289 2.330 12.013 1.00 0.00 C ATOM 481 O PRO A 32 4.126 2.495 11.125 1.00 0.00 O ATOM 482 CB PRO A 32 3.108 0.340 13.488 1.00 0.00 C ATOM 483 CG PRO A 32 1.945 0.510 14.407 1.00 0.00 C ATOM 484 CD PRO A 32 2.346 1.590 15.363 1.00 0.00 C ATOM 0 HA PRO A 32 4.790 1.779 13.354 1.00 0.00 H new ATOM 0 HB2 PRO A 32 2.795 -0.054 12.521 1.00 0.00 H new ATOM 0 HB3 PRO A 32 3.837 -0.360 13.896 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.046 0.787 13.856 1.00 0.00 H new ATOM 0 HG3 PRO A 32 1.722 -0.418 14.934 1.00 0.00 H new ATOM 0 HD2 PRO A 32 1.481 2.109 15.776 1.00 0.00 H new ATOM 0 HD3 PRO A 32 2.914 1.197 16.206 1.00 0.00 H new ATOM 492 N CYS A 33 2.001 2.630 11.848 1.00 0.00 N ATOM 493 CA CYS A 33 1.536 3.172 10.576 1.00 0.00 C ATOM 494 C CYS A 33 2.429 4.335 10.131 1.00 0.00 C ATOM 495 O CYS A 33 2.963 4.329 9.022 1.00 0.00 O ATOM 496 CB CYS A 33 0.074 3.623 10.682 1.00 0.00 C ATOM 497 SG CYS A 33 -0.403 4.312 12.304 1.00 0.00 S ATOM 0 H CYS A 33 1.280 2.511 12.559 1.00 0.00 H new ATOM 0 HA CYS A 33 1.596 2.385 9.824 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.116 4.374 9.915 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.570 2.772 10.462 1.00 0.00 H new ATOM 502 N LYS A 34 2.611 5.312 11.010 1.00 0.00 N ATOM 503 CA LYS A 34 3.472 6.460 10.723 1.00 0.00 C ATOM 504 C LYS A 34 4.947 6.049 10.633 1.00 0.00 C ATOM 505 O LYS A 34 5.725 6.627 9.874 1.00 0.00 O ATOM 506 CB LYS A 34 3.303 7.531 11.802 1.00 0.00 C ATOM 507 CG LYS A 34 2.028 8.349 11.661 1.00 0.00 C ATOM 508 CD LYS A 34 1.354 8.569 13.007 1.00 0.00 C ATOM 509 CE LYS A 34 1.034 10.038 13.240 1.00 0.00 C ATOM 510 NZ LYS A 34 2.056 10.700 14.097 1.00 0.00 N ATOM 0 H LYS A 34 2.174 5.335 11.931 1.00 0.00 H new ATOM 0 HA LYS A 34 3.171 6.864 9.757 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.310 7.051 12.781 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.160 8.203 11.771 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.261 9.313 11.208 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.340 7.838 10.988 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.435 7.984 13.054 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.004 8.207 13.804 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.975 10.553 12.281 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.054 10.126 13.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.801 11.699 14.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.094 10.225 15.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.987 10.639 13.637 1.00 0.00 H new ATOM 524 N ARG A 35 5.317 5.070 11.455 1.00 0.00 N ATOM 525 CA ARG A 35 6.695 4.578 11.547 1.00 0.00 C ATOM 526 C ARG A 35 7.135 3.799 10.312 1.00 0.00 C ATOM 527 O ARG A 35 8.324 3.727 10.010 1.00 0.00 O ATOM 528 CB ARG A 35 6.848 3.695 12.786 1.00 0.00 C ATOM 529 CG ARG A 35 8.275 3.229 13.031 1.00 0.00 C ATOM 530 CD ARG A 35 8.445 1.754 12.704 1.00 0.00 C ATOM 531 NE ARG A 35 9.852 1.363 12.648 1.00 0.00 N ATOM 532 CZ ARG A 35 10.596 1.116 13.724 1.00 0.00 C ATOM 533 NH1 ARG A 35 10.072 1.219 14.940 1.00 0.00 N ATOM 534 NH2 ARG A 35 11.867 0.766 13.585 1.00 0.00 N ATOM 0 H ARG A 35 4.669 4.591 12.080 1.00 0.00 H new ATOM 0 HA ARG A 35 7.338 5.455 11.620 1.00 0.00 H new ATOM 0 HB2 ARG A 35 6.500 4.246 13.660 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.203 2.823 12.682 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.961 3.819 12.423 1.00 0.00 H new ATOM 0 HG3 ARG A 35 8.542 3.405 14.073 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.932 1.155 13.456 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.971 1.538 11.747 1.00 0.00 H new ATOM 0 HE ARG A 35 10.290 1.274 11.731 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.095 1.489 15.053 1.00 0.00 H new ATOM 0 HH12 ARG A 35 10.647 1.029 15.761 1.00 0.00 H new ATOM 0 HH21 ARG A 35 12.275 0.686 12.654 1.00 0.00 H new ATOM 0 HH22 ARG A 35 12.437 0.577 14.409 1.00 0.00 H new ATOM 548 N ILE A 36 6.185 3.201 9.616 1.00 0.00 N ATOM 549 CA ILE A 36 6.494 2.416 8.438 1.00 0.00 C ATOM 550 C ILE A 36 6.634 3.305 7.204 1.00 0.00 C ATOM 551 O ILE A 36 7.187 2.886 6.189 1.00 0.00 O ATOM 552 CB ILE A 36 5.420 1.336 8.190 1.00 0.00 C ATOM 553 CG1 ILE A 36 5.796 0.456 6.993 1.00 0.00 C ATOM 554 CG2 ILE A 36 4.054 1.963 7.980 1.00 0.00 C ATOM 555 CD1 ILE A 36 7.234 -0.009 6.998 1.00 0.00 C ATOM 0 H ILE A 36 5.193 3.245 9.848 1.00 0.00 H new ATOM 0 HA ILE A 36 7.448 1.921 8.620 1.00 0.00 H new ATOM 0 HB ILE A 36 5.372 0.706 9.078 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.143 -0.417 6.978 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.608 1.011 6.074 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.317 1.179 7.807 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.776 2.534 8.866 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.087 2.627 7.116 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.420 -0.626 6.119 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.896 0.857 6.981 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.424 -0.593 7.898 1.00 0.00 H new ATOM 567 N ALA A 37 6.135 4.537 7.305 1.00 0.00 N ATOM 568 CA ALA A 37 6.205 5.494 6.205 1.00 0.00 C ATOM 569 C ALA A 37 7.652 5.868 5.847 1.00 0.00 C ATOM 570 O ALA A 37 8.013 5.881 4.670 1.00 0.00 O ATOM 571 CB ALA A 37 5.414 6.745 6.554 1.00 0.00 C ATOM 0 H ALA A 37 5.676 4.895 8.143 1.00 0.00 H new ATOM 0 HA ALA A 37 5.769 5.015 5.329 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.471 7.454 5.728 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.372 6.479 6.732 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.831 7.200 7.452 1.00 0.00 H new ATOM 577 N PRO A 38 8.502 6.192 6.847 1.00 0.00 N ATOM 578 CA PRO A 38 9.898 6.577 6.603 1.00 0.00 C ATOM 579 C PRO A 38 10.637 5.553 5.753 1.00 0.00 C ATOM 580 O PRO A 38 11.365 5.916 4.830 1.00 0.00 O ATOM 581 CB PRO A 38 10.517 6.666 8.006 1.00 0.00 C ATOM 582 CG PRO A 38 9.523 6.041 8.924 1.00 0.00 C ATOM 583 CD PRO A 38 8.180 6.227 8.277 1.00 0.00 C ATOM 0 HA PRO A 38 9.964 7.512 6.047 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.472 6.142 8.047 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.710 7.702 8.284 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.741 4.983 9.072 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.550 6.512 9.906 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.484 5.435 8.555 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.719 7.172 8.565 1.00 0.00 H new ATOM 591 N PHE A 39 10.430 4.272 6.038 1.00 0.00 N ATOM 592 CA PHE A 39 11.070 3.228 5.251 1.00 0.00 C ATOM 593 C PHE A 39 10.354 3.095 3.932 1.00 0.00 C ATOM 594 O PHE A 39 10.964 2.824 2.900 1.00 0.00 O ATOM 595 CB PHE A 39 11.058 1.884 5.959 1.00 0.00 C ATOM 596 CG PHE A 39 11.706 0.804 5.133 1.00 0.00 C ATOM 597 CD1 PHE A 39 13.082 0.644 5.142 1.00 0.00 C ATOM 598 CD2 PHE A 39 10.944 -0.027 4.322 1.00 0.00 C ATOM 599 CE1 PHE A 39 13.684 -0.326 4.364 1.00 0.00 C ATOM 600 CE2 PHE A 39 11.543 -0.992 3.539 1.00 0.00 C ATOM 601 CZ PHE A 39 12.912 -1.142 3.560 1.00 0.00 C ATOM 0 H PHE A 39 9.834 3.937 6.795 1.00 0.00 H new ATOM 0 HA PHE A 39 12.111 3.516 5.103 1.00 0.00 H new ATOM 0 HB2 PHE A 39 11.578 1.972 6.913 1.00 0.00 H new ATOM 0 HB3 PHE A 39 10.029 1.601 6.182 1.00 0.00 H new ATOM 0 HD1 PHE A 39 13.690 1.284 5.764 1.00 0.00 H new ATOM 0 HD2 PHE A 39 9.870 0.084 4.304 1.00 0.00 H new ATOM 0 HE1 PHE A 39 14.757 -0.446 4.384 1.00 0.00 H new ATOM 0 HE2 PHE A 39 10.939 -1.629 2.910 1.00 0.00 H new ATOM 0 HZ PHE A 39 13.382 -1.898 2.948 1.00 0.00 H new ATOM 611 N TYR A 40 9.047 3.300 3.981 1.00 0.00 N ATOM 612 CA TYR A 40 8.222 3.213 2.795 1.00 0.00 C ATOM 613 C TYR A 40 8.705 4.230 1.771 1.00 0.00 C ATOM 614 O TYR A 40 8.694 3.969 0.568 1.00 0.00 O ATOM 615 CB TYR A 40 6.756 3.470 3.155 1.00 0.00 C ATOM 616 CG TYR A 40 5.754 2.629 2.383 1.00 0.00 C ATOM 617 CD1 TYR A 40 6.140 1.483 1.690 1.00 0.00 C ATOM 618 CD2 TYR A 40 4.411 2.983 2.356 1.00 0.00 C ATOM 619 CE1 TYR A 40 5.217 0.721 0.998 1.00 0.00 C ATOM 620 CE2 TYR A 40 3.485 2.225 1.666 1.00 0.00 C ATOM 621 CZ TYR A 40 3.893 1.097 0.990 1.00 0.00 C ATOM 622 OH TYR A 40 2.971 0.340 0.302 1.00 0.00 O ATOM 0 H TYR A 40 8.537 3.528 4.834 1.00 0.00 H new ATOM 0 HA TYR A 40 8.300 2.213 2.369 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.620 3.285 4.221 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.534 4.523 2.984 1.00 0.00 H new ATOM 0 HD1 TYR A 40 7.178 1.185 1.694 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.085 3.867 2.884 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.533 -0.164 0.467 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.445 2.516 1.657 1.00 0.00 H new ATOM 0 HH TYR A 40 2.082 0.741 0.398 1.00 0.00 H new ATOM 632 N GLU A 41 9.157 5.379 2.258 1.00 0.00 N ATOM 633 CA GLU A 41 9.677 6.422 1.375 1.00 0.00 C ATOM 634 C GLU A 41 10.996 5.990 0.723 1.00 0.00 C ATOM 635 O GLU A 41 11.306 6.399 -0.395 1.00 0.00 O ATOM 636 CB GLU A 41 9.835 7.752 2.131 1.00 0.00 C ATOM 637 CG GLU A 41 11.165 7.925 2.853 1.00 0.00 C ATOM 638 CD GLU A 41 11.802 9.275 2.584 1.00 0.00 C ATOM 639 OE1 GLU A 41 11.839 9.690 1.406 1.00 0.00 O ATOM 640 OE2 GLU A 41 12.262 9.917 3.551 1.00 0.00 O ATOM 0 H GLU A 41 9.175 5.614 3.250 1.00 0.00 H new ATOM 0 HA GLU A 41 8.953 6.577 0.575 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.713 8.572 1.423 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.029 7.837 2.860 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.010 7.807 3.926 1.00 0.00 H new ATOM 0 HG3 GLU A 41 11.849 7.136 2.541 1.00 0.00 H new ATOM 647 N GLU A 42 11.772 5.171 1.431 1.00 0.00 N ATOM 648 CA GLU A 42 13.058 4.696 0.918 1.00 0.00 C ATOM 649 C GLU A 42 12.862 3.741 -0.256 1.00 0.00 C ATOM 650 O GLU A 42 13.522 3.858 -1.286 1.00 0.00 O ATOM 651 CB GLU A 42 13.848 4.001 2.028 1.00 0.00 C ATOM 652 CG GLU A 42 14.075 4.875 3.251 1.00 0.00 C ATOM 653 CD GLU A 42 15.329 4.494 4.013 1.00 0.00 C ATOM 654 OE1 GLU A 42 16.385 4.321 3.370 1.00 0.00 O ATOM 655 OE2 GLU A 42 15.254 4.370 5.254 1.00 0.00 O ATOM 0 H GLU A 42 11.534 4.823 2.360 1.00 0.00 H new ATOM 0 HA GLU A 42 13.620 5.561 0.567 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.317 3.098 2.330 1.00 0.00 H new ATOM 0 HB3 GLU A 42 14.814 3.686 1.633 1.00 0.00 H new ATOM 0 HG2 GLU A 42 14.145 5.917 2.940 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.213 4.797 3.914 1.00 0.00 H new ATOM 662 N CYS A 43 11.949 2.797 -0.088 1.00 0.00 N ATOM 663 CA CYS A 43 11.652 1.815 -1.125 1.00 0.00 C ATOM 664 C CYS A 43 11.127 2.499 -2.386 1.00 0.00 C ATOM 665 O CYS A 43 11.373 2.040 -3.500 1.00 0.00 O ATOM 666 CB CYS A 43 10.631 0.764 -0.632 1.00 0.00 C ATOM 667 SG CYS A 43 9.967 1.006 1.026 1.00 0.00 S ATOM 0 H CYS A 43 11.396 2.688 0.762 1.00 0.00 H new ATOM 0 HA CYS A 43 12.584 1.302 -1.363 1.00 0.00 H new ATOM 0 HB2 CYS A 43 9.797 0.742 -1.334 1.00 0.00 H new ATOM 0 HB3 CYS A 43 11.105 -0.217 -0.670 1.00 0.00 H new ATOM 0 HG CYS A 43 10.898 1.477 1.802 1.00 0.00 H new ATOM 673 N SER A 44 10.386 3.582 -2.199 1.00 0.00 N ATOM 674 CA SER A 44 9.793 4.319 -3.312 1.00 0.00 C ATOM 675 C SER A 44 10.826 4.883 -4.295 1.00 0.00 C ATOM 676 O SER A 44 10.499 5.111 -5.458 1.00 0.00 O ATOM 677 CB SER A 44 8.932 5.462 -2.777 1.00 0.00 C ATOM 678 OG SER A 44 9.737 6.537 -2.322 1.00 0.00 O ATOM 0 H SER A 44 10.179 3.974 -1.281 1.00 0.00 H new ATOM 0 HA SER A 44 9.187 3.601 -3.865 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.260 5.813 -3.560 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.308 5.100 -1.960 1.00 0.00 H new ATOM 0 HG SER A 44 10.423 6.196 -1.710 1.00 0.00 H new ATOM 684 N LYS A 45 12.052 5.140 -3.842 1.00 0.00 N ATOM 685 CA LYS A 45 13.070 5.714 -4.738 1.00 0.00 C ATOM 686 C LYS A 45 13.882 4.653 -5.498 1.00 0.00 C ATOM 687 O LYS A 45 14.403 4.932 -6.578 1.00 0.00 O ATOM 688 CB LYS A 45 14.015 6.675 -3.994 1.00 0.00 C ATOM 689 CG LYS A 45 14.249 6.362 -2.522 1.00 0.00 C ATOM 690 CD LYS A 45 15.374 7.210 -1.950 1.00 0.00 C ATOM 691 CE LYS A 45 15.822 6.700 -0.589 1.00 0.00 C ATOM 692 NZ LYS A 45 17.305 6.599 -0.494 1.00 0.00 N ATOM 0 H LYS A 45 12.365 4.968 -2.887 1.00 0.00 H new ATOM 0 HA LYS A 45 12.509 6.281 -5.481 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.978 6.676 -4.504 1.00 0.00 H new ATOM 0 HB3 LYS A 45 13.612 7.685 -4.072 1.00 0.00 H new ATOM 0 HG2 LYS A 45 13.333 6.542 -1.959 1.00 0.00 H new ATOM 0 HG3 LYS A 45 14.492 5.306 -2.407 1.00 0.00 H new ATOM 0 HD2 LYS A 45 16.220 7.205 -2.638 1.00 0.00 H new ATOM 0 HD3 LYS A 45 15.042 8.244 -1.860 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.453 7.369 0.189 1.00 0.00 H new ATOM 0 HE3 LYS A 45 15.379 5.721 -0.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 17.569 6.248 0.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 17.655 5.941 -1.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 17.727 7.537 -0.645 1.00 0.00 H new ATOM 706 N THR A 46 13.986 3.444 -4.954 1.00 0.00 N ATOM 707 CA THR A 46 14.731 2.365 -5.611 1.00 0.00 C ATOM 708 C THR A 46 13.767 1.424 -6.337 1.00 0.00 C ATOM 709 O THR A 46 14.071 0.868 -7.393 1.00 0.00 O ATOM 710 CB THR A 46 15.568 1.573 -4.576 1.00 0.00 C ATOM 711 OG1 THR A 46 16.780 2.280 -4.289 1.00 0.00 O ATOM 712 CG2 THR A 46 15.905 0.170 -5.065 1.00 0.00 C ATOM 0 H THR A 46 13.566 3.183 -4.062 1.00 0.00 H new ATOM 0 HA THR A 46 15.410 2.808 -6.340 1.00 0.00 H new ATOM 0 HB THR A 46 14.965 1.477 -3.673 1.00 0.00 H new ATOM 0 HG1 THR A 46 17.305 1.776 -3.633 1.00 0.00 H new ATOM 0 HG21 THR A 46 16.492 -0.348 -4.307 1.00 0.00 H new ATOM 0 HG22 THR A 46 14.983 -0.382 -5.250 1.00 0.00 H new ATOM 0 HG23 THR A 46 16.481 0.235 -5.988 1.00 0.00 H new ATOM 720 N TYR A 47 12.607 1.271 -5.730 1.00 0.00 N ATOM 721 CA TYR A 47 11.522 0.429 -6.216 1.00 0.00 C ATOM 722 C TYR A 47 10.597 1.189 -7.169 1.00 0.00 C ATOM 723 O TYR A 47 9.450 0.792 -7.374 1.00 0.00 O ATOM 724 CB TYR A 47 10.753 -0.178 -5.045 1.00 0.00 C ATOM 725 CG TYR A 47 11.649 -0.912 -4.064 1.00 0.00 C ATOM 726 CD1 TYR A 47 12.895 -1.396 -4.448 1.00 0.00 C ATOM 727 CD2 TYR A 47 11.256 -1.108 -2.754 1.00 0.00 C ATOM 728 CE1 TYR A 47 13.716 -2.055 -3.550 1.00 0.00 C ATOM 729 CE2 TYR A 47 12.069 -1.762 -1.844 1.00 0.00 C ATOM 730 CZ TYR A 47 13.298 -2.235 -2.248 1.00 0.00 C ATOM 731 OH TYR A 47 14.111 -2.886 -1.349 1.00 0.00 O ATOM 0 H TYR A 47 12.382 1.744 -4.855 1.00 0.00 H new ATOM 0 HA TYR A 47 11.960 -0.387 -6.792 1.00 0.00 H new ATOM 0 HB2 TYR A 47 10.219 0.613 -4.519 1.00 0.00 H new ATOM 0 HB3 TYR A 47 10.002 -0.868 -5.429 1.00 0.00 H new ATOM 0 HD1 TYR A 47 13.228 -1.255 -5.466 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.292 -0.742 -2.432 1.00 0.00 H new ATOM 0 HE1 TYR A 47 14.679 -2.427 -3.867 1.00 0.00 H new ATOM 0 HE2 TYR A 47 11.742 -1.900 -0.824 1.00 0.00 H new ATOM 0 HH TYR A 47 14.449 -2.245 -0.690 1.00 0.00 H new ATOM 741 N THR A 48 11.063 2.334 -7.677 1.00 0.00 N ATOM 742 CA THR A 48 10.238 3.204 -8.520 1.00 0.00 C ATOM 743 C THR A 48 9.626 2.495 -9.736 1.00 0.00 C ATOM 744 O THR A 48 8.871 3.112 -10.488 1.00 0.00 O ATOM 745 CB THR A 48 11.061 4.400 -9.036 1.00 0.00 C ATOM 746 OG1 THR A 48 12.128 3.934 -9.872 1.00 0.00 O ATOM 747 CG2 THR A 48 11.636 5.210 -7.884 1.00 0.00 C ATOM 0 H THR A 48 12.009 2.680 -7.519 1.00 0.00 H new ATOM 0 HA THR A 48 9.422 3.530 -7.875 1.00 0.00 H new ATOM 0 HB THR A 48 10.396 5.043 -9.612 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.646 4.699 -10.198 1.00 0.00 H new ATOM 0 HG21 THR A 48 12.212 6.047 -8.279 1.00 0.00 H new ATOM 0 HG22 THR A 48 10.823 5.589 -7.264 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.286 4.575 -7.282 1.00 0.00 H new ATOM 755 N LYS A 49 9.870 1.195 -9.893 1.00 0.00 N ATOM 756 CA LYS A 49 9.243 0.443 -10.976 1.00 0.00 C ATOM 757 C LYS A 49 7.826 0.033 -10.537 1.00 0.00 C ATOM 758 O LYS A 49 7.050 -0.530 -11.309 1.00 0.00 O ATOM 759 CB LYS A 49 10.068 -0.797 -11.335 1.00 0.00 C ATOM 760 CG LYS A 49 10.692 -1.501 -10.141 1.00 0.00 C ATOM 761 CD LYS A 49 12.147 -1.100 -9.956 1.00 0.00 C ATOM 762 CE LYS A 49 13.092 -2.164 -10.494 1.00 0.00 C ATOM 763 NZ LYS A 49 13.249 -2.078 -11.974 1.00 0.00 N ATOM 0 H LYS A 49 10.488 0.648 -9.293 1.00 0.00 H new ATOM 0 HA LYS A 49 9.190 1.072 -11.865 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.429 -1.503 -11.865 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.860 -0.505 -12.024 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.129 -1.259 -9.239 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.625 -2.580 -10.278 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.333 -0.155 -10.467 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.348 -0.935 -8.898 1.00 0.00 H new ATOM 0 HE2 LYS A 49 14.067 -2.055 -10.020 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.716 -3.151 -10.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.901 -2.821 -12.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.323 -2.207 -12.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.633 -1.146 -12.229 1.00 0.00 H new ATOM 777 N MET A 50 7.523 0.341 -9.273 1.00 0.00 N ATOM 778 CA MET A 50 6.238 0.056 -8.633 1.00 0.00 C ATOM 779 C MET A 50 5.611 1.373 -8.198 1.00 0.00 C ATOM 780 O MET A 50 6.320 2.292 -7.789 1.00 0.00 O ATOM 781 CB MET A 50 6.504 -0.819 -7.403 1.00 0.00 C ATOM 782 CG MET A 50 5.268 -1.428 -6.769 1.00 0.00 C ATOM 783 SD MET A 50 5.552 -3.099 -6.183 1.00 0.00 S ATOM 784 CE MET A 50 6.165 -3.828 -7.689 1.00 0.00 C ATOM 0 H MET A 50 8.183 0.808 -8.651 1.00 0.00 H new ATOM 0 HA MET A 50 5.565 -0.459 -9.318 1.00 0.00 H new ATOM 0 HB2 MET A 50 7.181 -1.624 -7.688 1.00 0.00 H new ATOM 0 HB3 MET A 50 7.020 -0.219 -6.654 1.00 0.00 H new ATOM 0 HG2 MET A 50 4.945 -0.804 -5.936 1.00 0.00 H new ATOM 0 HG3 MET A 50 4.456 -1.434 -7.496 1.00 0.00 H new ATOM 0 HE1 MET A 50 5.785 -4.845 -7.782 1.00 0.00 H new ATOM 0 HE2 MET A 50 5.831 -3.237 -8.542 1.00 0.00 H new ATOM 0 HE3 MET A 50 7.255 -3.849 -7.666 1.00 0.00 H new ATOM 794 N VAL A 51 4.294 1.471 -8.276 1.00 0.00 N ATOM 795 CA VAL A 51 3.625 2.709 -7.867 1.00 0.00 C ATOM 796 C VAL A 51 3.167 2.620 -6.425 1.00 0.00 C ATOM 797 O VAL A 51 2.438 1.705 -6.042 1.00 0.00 O ATOM 798 CB VAL A 51 2.415 3.099 -8.749 1.00 0.00 C ATOM 799 CG1 VAL A 51 2.724 4.349 -9.547 1.00 0.00 C ATOM 800 CG2 VAL A 51 2.000 1.974 -9.670 1.00 0.00 C ATOM 0 H VAL A 51 3.674 0.732 -8.609 1.00 0.00 H new ATOM 0 HA VAL A 51 4.376 3.489 -7.989 1.00 0.00 H new ATOM 0 HB VAL A 51 1.577 3.300 -8.082 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.863 4.610 -10.162 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.945 5.170 -8.865 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.586 4.167 -10.188 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.147 2.291 -10.271 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.831 1.716 -10.327 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.722 1.102 -9.077 1.00 0.00 H new ATOM 810 N PHE A 52 3.620 3.573 -5.629 1.00 0.00 N ATOM 811 CA PHE A 52 3.281 3.607 -4.213 1.00 0.00 C ATOM 812 C PHE A 52 2.194 4.634 -3.897 1.00 0.00 C ATOM 813 O PHE A 52 2.333 5.818 -4.206 1.00 0.00 O ATOM 814 CB PHE A 52 4.517 3.945 -3.372 1.00 0.00 C ATOM 815 CG PHE A 52 5.566 2.872 -3.334 1.00 0.00 C ATOM 816 CD1 PHE A 52 6.184 2.472 -4.497 1.00 0.00 C ATOM 817 CD2 PHE A 52 5.947 2.285 -2.138 1.00 0.00 C ATOM 818 CE1 PHE A 52 7.167 1.500 -4.483 1.00 0.00 C ATOM 819 CE2 PHE A 52 6.932 1.313 -2.112 1.00 0.00 C ATOM 820 CZ PHE A 52 7.543 0.919 -3.288 1.00 0.00 C ATOM 0 H PHE A 52 4.224 4.335 -5.937 1.00 0.00 H new ATOM 0 HA PHE A 52 2.906 2.614 -3.965 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.966 4.858 -3.762 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.198 4.157 -2.352 1.00 0.00 H new ATOM 0 HD1 PHE A 52 5.897 2.924 -5.435 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.471 2.589 -1.217 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.640 1.196 -5.405 1.00 0.00 H new ATOM 0 HE2 PHE A 52 7.223 0.863 -1.174 1.00 0.00 H new ATOM 0 HZ PHE A 52 8.311 0.160 -3.272 1.00 0.00 H new ATOM 830 N ILE A 53 1.133 4.176 -3.240 1.00 0.00 N ATOM 831 CA ILE A 53 0.037 5.058 -2.829 1.00 0.00 C ATOM 832 C ILE A 53 -0.497 4.618 -1.455 1.00 0.00 C ATOM 833 O ILE A 53 -0.283 3.479 -1.044 1.00 0.00 O ATOM 834 CB ILE A 53 -1.107 5.086 -3.870 1.00 0.00 C ATOM 835 CG1 ILE A 53 -1.911 3.784 -3.871 1.00 0.00 C ATOM 836 CG2 ILE A 53 -0.544 5.362 -5.256 1.00 0.00 C ATOM 837 CD1 ILE A 53 -3.402 4.009 -3.732 1.00 0.00 C ATOM 0 H ILE A 53 1.005 3.198 -2.979 1.00 0.00 H new ATOM 0 HA ILE A 53 0.432 6.072 -2.759 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.789 5.889 -3.591 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.716 3.244 -4.797 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.567 3.150 -3.053 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.357 5.380 -5.982 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.036 6.326 -5.257 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.164 4.578 -5.524 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.917 3.048 -3.739 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.606 4.523 -2.793 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.757 4.618 -4.564 1.00 0.00 H new ATOM 849 N LYS A 54 -1.188 5.510 -0.749 1.00 0.00 N ATOM 850 CA LYS A 54 -1.743 5.186 0.568 1.00 0.00 C ATOM 851 C LYS A 54 -3.246 5.363 0.557 1.00 0.00 C ATOM 852 O LYS A 54 -3.766 6.320 -0.017 1.00 0.00 O ATOM 853 CB LYS A 54 -1.184 6.093 1.680 1.00 0.00 C ATOM 854 CG LYS A 54 0.329 6.192 1.763 1.00 0.00 C ATOM 855 CD LYS A 54 0.845 7.402 1.000 1.00 0.00 C ATOM 856 CE LYS A 54 1.628 8.344 1.904 1.00 0.00 C ATOM 857 NZ LYS A 54 2.634 7.624 2.737 1.00 0.00 N ATOM 0 H LYS A 54 -1.378 6.461 -1.064 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.463 4.153 0.773 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.586 7.096 1.539 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.557 5.731 2.638 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.635 6.260 2.807 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.778 5.285 1.358 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.482 7.071 0.180 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.006 7.937 0.556 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.134 9.093 1.294 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.936 8.878 2.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.514 8.177 2.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.263 7.501 3.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.828 6.692 2.319 1.00 0.00 H new ATOM 871 N VAL A 55 -3.938 4.454 1.216 1.00 0.00 N ATOM 872 CA VAL A 55 -5.380 4.530 1.305 1.00 0.00 C ATOM 873 C VAL A 55 -5.824 4.185 2.719 1.00 0.00 C ATOM 874 O VAL A 55 -5.611 3.072 3.199 1.00 0.00 O ATOM 875 CB VAL A 55 -6.044 3.581 0.279 1.00 0.00 C ATOM 876 CG1 VAL A 55 -7.565 3.570 0.403 1.00 0.00 C ATOM 877 CG2 VAL A 55 -5.626 3.943 -1.136 1.00 0.00 C ATOM 0 H VAL A 55 -3.524 3.655 1.697 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.694 5.547 1.072 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.695 2.573 0.502 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.986 2.890 -0.338 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.846 3.238 1.402 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.951 4.575 0.233 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.104 3.264 -1.842 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.930 4.967 -1.355 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.543 3.859 -1.228 1.00 0.00 H new ATOM 887 N ASP A 56 -6.425 5.162 3.383 1.00 0.00 N ATOM 888 CA ASP A 56 -6.886 4.994 4.751 1.00 0.00 C ATOM 889 C ASP A 56 -8.254 4.325 4.787 1.00 0.00 C ATOM 890 O ASP A 56 -9.005 4.367 3.813 1.00 0.00 O ATOM 891 CB ASP A 56 -6.905 6.356 5.458 1.00 0.00 C ATOM 892 CG ASP A 56 -8.127 7.184 5.114 1.00 0.00 C ATOM 893 OD1 ASP A 56 -8.633 7.052 3.980 1.00 0.00 O ATOM 894 OD2 ASP A 56 -8.578 7.965 5.978 1.00 0.00 O ATOM 0 H ASP A 56 -6.605 6.086 2.991 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.196 4.338 5.282 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.870 6.200 6.536 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -6.008 6.912 5.187 1.00 0.00 H new ATOM 899 N VAL A 57 -8.560 3.687 5.911 1.00 0.00 N ATOM 900 CA VAL A 57 -9.823 2.987 6.069 1.00 0.00 C ATOM 901 C VAL A 57 -10.946 3.929 6.506 1.00 0.00 C ATOM 902 O VAL A 57 -12.126 3.619 6.347 1.00 0.00 O ATOM 903 CB VAL A 57 -9.702 1.838 7.100 1.00 0.00 C ATOM 904 CG1 VAL A 57 -8.446 1.015 6.852 1.00 0.00 C ATOM 905 CG2 VAL A 57 -9.708 2.379 8.525 1.00 0.00 C ATOM 0 H VAL A 57 -7.948 3.642 6.726 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.071 2.574 5.091 1.00 0.00 H new ATOM 0 HB VAL A 57 -10.569 1.189 6.976 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.384 0.215 7.589 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.485 0.585 5.851 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.568 1.656 6.938 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.622 1.551 9.229 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.867 3.059 8.660 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.640 2.914 8.707 1.00 0.00 H new ATOM 915 N ASP A 58 -10.567 5.062 7.088 1.00 0.00 N ATOM 916 CA ASP A 58 -11.537 6.032 7.585 1.00 0.00 C ATOM 917 C ASP A 58 -12.191 6.829 6.461 1.00 0.00 C ATOM 918 O ASP A 58 -13.407 7.025 6.453 1.00 0.00 O ATOM 919 CB ASP A 58 -10.867 6.995 8.566 1.00 0.00 C ATOM 920 CG ASP A 58 -10.304 6.289 9.784 1.00 0.00 C ATOM 921 OD1 ASP A 58 -11.030 5.469 10.384 1.00 0.00 O ATOM 922 OD2 ASP A 58 -9.135 6.555 10.136 1.00 0.00 O ATOM 0 H ASP A 58 -9.593 5.332 7.227 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.319 5.466 8.091 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.064 7.527 8.056 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.592 7.743 8.887 1.00 0.00 H new ATOM 927 N GLU A 59 -11.377 7.310 5.532 1.00 0.00 N ATOM 928 CA GLU A 59 -11.873 8.115 4.423 1.00 0.00 C ATOM 929 C GLU A 59 -12.664 7.280 3.423 1.00 0.00 C ATOM 930 O GLU A 59 -13.724 7.701 2.960 1.00 0.00 O ATOM 931 CB GLU A 59 -10.710 8.811 3.715 1.00 0.00 C ATOM 932 CG GLU A 59 -11.065 10.186 3.172 1.00 0.00 C ATOM 933 CD GLU A 59 -10.182 11.284 3.734 1.00 0.00 C ATOM 934 OE1 GLU A 59 -8.999 11.354 3.339 1.00 0.00 O ATOM 935 OE2 GLU A 59 -10.673 12.072 4.569 1.00 0.00 O ATOM 0 H GLU A 59 -10.369 7.157 5.524 1.00 0.00 H new ATOM 0 HA GLU A 59 -12.548 8.863 4.838 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -9.877 8.908 4.411 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.367 8.182 2.893 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.978 10.176 2.085 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.106 10.407 3.407 1.00 0.00 H new ATOM 942 N VAL A 60 -12.151 6.102 3.080 1.00 0.00 N ATOM 943 CA VAL A 60 -12.830 5.240 2.126 1.00 0.00 C ATOM 944 C VAL A 60 -13.104 3.861 2.712 1.00 0.00 C ATOM 945 O VAL A 60 -12.394 2.898 2.424 1.00 0.00 O ATOM 946 CB VAL A 60 -12.013 5.084 0.831 1.00 0.00 C ATOM 947 CG1 VAL A 60 -12.273 6.251 -0.109 1.00 0.00 C ATOM 948 CG2 VAL A 60 -10.527 4.957 1.142 1.00 0.00 C ATOM 0 H VAL A 60 -11.276 5.728 3.446 1.00 0.00 H new ATOM 0 HA VAL A 60 -13.780 5.721 1.894 1.00 0.00 H new ATOM 0 HB VAL A 60 -12.332 4.169 0.333 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -11.687 6.123 -1.019 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -13.333 6.285 -0.362 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.986 7.182 0.379 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.969 4.848 0.212 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -10.187 5.850 1.666 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.360 4.082 1.770 1.00 0.00 H new ATOM 958 N SER A 61 -14.148 3.773 3.529 1.00 0.00 N ATOM 959 CA SER A 61 -14.530 2.510 4.149 1.00 0.00 C ATOM 960 C SER A 61 -14.869 1.477 3.082 1.00 0.00 C ATOM 961 O SER A 61 -14.619 0.284 3.253 1.00 0.00 O ATOM 962 CB SER A 61 -15.726 2.718 5.079 1.00 0.00 C ATOM 963 OG SER A 61 -15.323 2.712 6.437 1.00 0.00 O ATOM 0 H SER A 61 -14.745 4.562 3.777 1.00 0.00 H new ATOM 0 HA SER A 61 -13.688 2.142 4.736 1.00 0.00 H new ATOM 0 HB2 SER A 61 -16.212 3.665 4.845 1.00 0.00 H new ATOM 0 HB3 SER A 61 -16.462 1.932 4.911 1.00 0.00 H new ATOM 0 HG SER A 61 -16.105 2.849 7.011 1.00 0.00 H new ATOM 969 N GLU A 62 -15.433 1.948 1.975 1.00 0.00 N ATOM 970 CA GLU A 62 -15.800 1.072 0.871 1.00 0.00 C ATOM 971 C GLU A 62 -14.572 0.334 0.346 1.00 0.00 C ATOM 972 O GLU A 62 -14.676 -0.783 -0.159 1.00 0.00 O ATOM 973 CB GLU A 62 -16.456 1.877 -0.253 1.00 0.00 C ATOM 974 CG GLU A 62 -17.975 1.801 -0.247 1.00 0.00 C ATOM 975 CD GLU A 62 -18.537 1.208 -1.524 1.00 0.00 C ATOM 976 OE1 GLU A 62 -18.172 1.694 -2.615 1.00 0.00 O ATOM 977 OE2 GLU A 62 -19.342 0.257 -1.433 1.00 0.00 O ATOM 0 H GLU A 62 -15.646 2.933 1.819 1.00 0.00 H new ATOM 0 HA GLU A 62 -16.517 0.337 1.237 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.152 2.920 -0.167 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.086 1.515 -1.212 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -18.301 1.200 0.602 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -18.384 2.801 -0.105 1.00 0.00 H new ATOM 984 N VAL A 63 -13.408 0.965 0.480 1.00 0.00 N ATOM 985 CA VAL A 63 -12.158 0.366 0.030 1.00 0.00 C ATOM 986 C VAL A 63 -11.805 -0.824 0.903 1.00 0.00 C ATOM 987 O VAL A 63 -11.354 -1.860 0.414 1.00 0.00 O ATOM 988 CB VAL A 63 -10.999 1.387 0.054 1.00 0.00 C ATOM 989 CG1 VAL A 63 -9.668 0.712 -0.247 1.00 0.00 C ATOM 990 CG2 VAL A 63 -11.264 2.519 -0.928 1.00 0.00 C ATOM 0 H VAL A 63 -13.306 1.890 0.897 1.00 0.00 H new ATOM 0 HA VAL A 63 -12.301 0.037 -0.999 1.00 0.00 H new ATOM 0 HB VAL A 63 -10.940 1.808 1.058 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.870 1.454 -0.224 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.472 -0.056 0.502 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.708 0.253 -1.235 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.437 3.228 -0.897 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -11.356 2.113 -1.935 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -12.189 3.028 -0.656 1.00 0.00 H new ATOM 1000 N THR A 64 -12.032 -0.673 2.199 1.00 0.00 N ATOM 1001 CA THR A 64 -11.761 -1.736 3.149 1.00 0.00 C ATOM 1002 C THR A 64 -12.549 -2.983 2.765 1.00 0.00 C ATOM 1003 O THR A 64 -12.005 -4.085 2.706 1.00 0.00 O ATOM 1004 CB THR A 64 -12.139 -1.293 4.577 1.00 0.00 C ATOM 1005 OG1 THR A 64 -11.338 -0.169 4.963 1.00 0.00 O ATOM 1006 CG2 THR A 64 -11.949 -2.419 5.584 1.00 0.00 C ATOM 0 H THR A 64 -12.405 0.180 2.616 1.00 0.00 H new ATOM 0 HA THR A 64 -10.695 -1.963 3.127 1.00 0.00 H new ATOM 0 HB THR A 64 -13.194 -1.018 4.572 1.00 0.00 H new ATOM 0 HG1 THR A 64 -11.917 0.541 5.311 1.00 0.00 H new ATOM 0 HG21 THR A 64 -12.226 -2.068 6.578 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.580 -3.264 5.309 1.00 0.00 H new ATOM 0 HG23 THR A 64 -10.905 -2.732 5.587 1.00 0.00 H new ATOM 1014 N GLU A 65 -13.832 -2.790 2.484 1.00 0.00 N ATOM 1015 CA GLU A 65 -14.703 -3.886 2.079 1.00 0.00 C ATOM 1016 C GLU A 65 -14.354 -4.361 0.670 1.00 0.00 C ATOM 1017 O GLU A 65 -14.509 -5.537 0.343 1.00 0.00 O ATOM 1018 CB GLU A 65 -16.169 -3.454 2.137 1.00 0.00 C ATOM 1019 CG GLU A 65 -17.117 -4.575 2.530 1.00 0.00 C ATOM 1020 CD GLU A 65 -18.452 -4.061 3.033 1.00 0.00 C ATOM 1021 OE1 GLU A 65 -18.510 -3.597 4.191 1.00 0.00 O ATOM 1022 OE2 GLU A 65 -19.438 -4.122 2.270 1.00 0.00 O ATOM 0 H GLU A 65 -14.293 -1.881 2.529 1.00 0.00 H new ATOM 0 HA GLU A 65 -14.552 -4.713 2.773 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -16.270 -2.636 2.851 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -16.464 -3.065 1.162 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -17.283 -5.224 1.670 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -16.652 -5.185 3.304 1.00 0.00 H new ATOM 1029 N LYS A 66 -13.899 -3.428 -0.164 1.00 0.00 N ATOM 1030 CA LYS A 66 -13.546 -3.735 -1.546 1.00 0.00 C ATOM 1031 C LYS A 66 -12.474 -4.811 -1.624 1.00 0.00 C ATOM 1032 O LYS A 66 -12.534 -5.712 -2.461 1.00 0.00 O ATOM 1033 CB LYS A 66 -13.017 -2.470 -2.217 1.00 0.00 C ATOM 1034 CG LYS A 66 -13.055 -2.521 -3.726 1.00 0.00 C ATOM 1035 CD LYS A 66 -11.839 -3.228 -4.308 1.00 0.00 C ATOM 1036 CE LYS A 66 -10.671 -2.275 -4.494 1.00 0.00 C ATOM 1037 NZ LYS A 66 -9.961 -2.512 -5.781 1.00 0.00 N ATOM 0 H LYS A 66 -13.766 -2.451 0.096 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.440 -4.101 -2.050 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -13.603 -1.617 -1.876 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -11.990 -2.300 -1.894 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -13.961 -3.035 -4.048 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -13.107 -1.506 -4.121 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.542 -4.043 -3.649 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -12.102 -3.674 -5.268 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.032 -1.247 -4.463 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -9.971 -2.392 -3.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -9.494 -1.634 -6.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -9.247 -3.257 -5.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.645 -2.811 -6.505 1.00 0.00 H new ATOM 1051 N GLU A 67 -11.492 -4.696 -0.752 1.00 0.00 N ATOM 1052 CA GLU A 67 -10.382 -5.643 -0.713 1.00 0.00 C ATOM 1053 C GLU A 67 -10.512 -6.634 0.442 1.00 0.00 C ATOM 1054 O GLU A 67 -9.555 -7.334 0.774 1.00 0.00 O ATOM 1055 CB GLU A 67 -9.059 -4.889 -0.597 1.00 0.00 C ATOM 1056 CG GLU A 67 -8.799 -3.950 -1.761 1.00 0.00 C ATOM 1057 CD GLU A 67 -8.409 -4.688 -3.027 1.00 0.00 C ATOM 1058 OE1 GLU A 67 -7.806 -5.776 -2.918 1.00 0.00 O ATOM 1059 OE2 GLU A 67 -8.707 -4.178 -4.127 1.00 0.00 O ATOM 0 H GLU A 67 -11.435 -3.954 -0.055 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.406 -6.213 -1.642 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.055 -4.316 0.331 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.243 -5.609 -0.531 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.693 -3.356 -1.951 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.005 -3.253 -1.491 1.00 0.00 H new ATOM 1066 N ASN A 68 -11.691 -6.697 1.055 1.00 0.00 N ATOM 1067 CA ASN A 68 -11.917 -7.612 2.170 1.00 0.00 C ATOM 1068 C ASN A 68 -10.847 -7.427 3.244 1.00 0.00 C ATOM 1069 O ASN A 68 -10.302 -8.397 3.771 1.00 0.00 O ATOM 1070 CB ASN A 68 -11.918 -9.059 1.674 1.00 0.00 C ATOM 1071 CG ASN A 68 -12.887 -9.934 2.444 1.00 0.00 C ATOM 1072 OD1 ASN A 68 -12.561 -10.449 3.514 1.00 0.00 O ATOM 1073 ND2 ASN A 68 -14.087 -10.107 1.902 1.00 0.00 N ATOM 0 H ASN A 68 -12.500 -6.130 0.801 1.00 0.00 H new ATOM 0 HA ASN A 68 -12.889 -7.387 2.608 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.179 -9.077 0.616 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.913 -9.471 1.762 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -14.781 -10.686 2.374 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -14.314 -9.661 1.013 1.00 0.00 H new ATOM 1080 N ILE A 69 -10.556 -6.171 3.560 1.00 0.00 N ATOM 1081 CA ILE A 69 -9.555 -5.841 4.568 1.00 0.00 C ATOM 1082 C ILE A 69 -9.997 -6.336 5.944 1.00 0.00 C ATOM 1083 O ILE A 69 -10.992 -5.862 6.492 1.00 0.00 O ATOM 1084 CB ILE A 69 -9.308 -4.319 4.621 1.00 0.00 C ATOM 1085 CG1 ILE A 69 -8.786 -3.807 3.274 1.00 0.00 C ATOM 1086 CG2 ILE A 69 -8.339 -3.966 5.737 1.00 0.00 C ATOM 1087 CD1 ILE A 69 -7.467 -4.418 2.864 1.00 0.00 C ATOM 0 H ILE A 69 -11.001 -5.360 3.130 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.626 -6.338 4.290 1.00 0.00 H new ATOM 0 HB ILE A 69 -10.260 -3.830 4.829 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -9.528 -4.015 2.503 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -8.675 -2.724 3.325 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -8.181 -2.888 5.754 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -8.752 -4.287 6.693 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -7.388 -4.469 5.566 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.160 -4.009 1.902 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.711 -4.188 3.614 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -7.577 -5.499 2.780 1.00 0.00 H new ATOM 1099 N THR A 70 -9.269 -7.310 6.487 1.00 0.00 N ATOM 1100 CA THR A 70 -9.612 -7.880 7.783 1.00 0.00 C ATOM 1101 C THR A 70 -8.614 -7.513 8.883 1.00 0.00 C ATOM 1102 O THR A 70 -9.006 -7.285 10.028 1.00 0.00 O ATOM 1103 CB THR A 70 -9.700 -9.411 7.689 1.00 0.00 C ATOM 1104 OG1 THR A 70 -8.726 -9.902 6.760 1.00 0.00 O ATOM 1105 CG2 THR A 70 -11.089 -9.846 7.250 1.00 0.00 C ATOM 0 H THR A 70 -8.442 -7.718 6.050 1.00 0.00 H new ATOM 0 HA THR A 70 -10.579 -7.455 8.053 1.00 0.00 H new ATOM 0 HB THR A 70 -9.501 -9.826 8.677 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.787 -10.879 6.707 1.00 0.00 H new ATOM 0 HG21 THR A 70 -11.128 -10.934 7.190 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.825 -9.496 7.973 1.00 0.00 H new ATOM 0 HG23 THR A 70 -11.311 -9.421 6.271 1.00 0.00 H new ATOM 1113 N SER A 71 -7.327 -7.481 8.549 1.00 0.00 N ATOM 1114 CA SER A 71 -6.295 -7.168 9.542 1.00 0.00 C ATOM 1115 C SER A 71 -5.409 -6.001 9.107 1.00 0.00 C ATOM 1116 O SER A 71 -4.876 -5.994 8.002 1.00 0.00 O ATOM 1117 CB SER A 71 -5.431 -8.402 9.802 1.00 0.00 C ATOM 1118 OG SER A 71 -4.892 -8.382 11.112 1.00 0.00 O ATOM 0 H SER A 71 -6.973 -7.665 7.610 1.00 0.00 H new ATOM 0 HA SER A 71 -6.805 -6.870 10.458 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.029 -9.303 9.665 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.621 -8.443 9.073 1.00 0.00 H new ATOM 0 HG SER A 71 -4.294 -9.149 11.232 1.00 0.00 H new ATOM 1124 N MET A 72 -5.253 -5.024 10.001 1.00 0.00 N ATOM 1125 CA MET A 72 -4.428 -3.843 9.736 1.00 0.00 C ATOM 1126 C MET A 72 -3.244 -3.777 10.698 1.00 0.00 C ATOM 1127 O MET A 72 -3.334 -4.250 11.831 1.00 0.00 O ATOM 1128 CB MET A 72 -5.270 -2.570 9.891 1.00 0.00 C ATOM 1129 CG MET A 72 -5.614 -1.885 8.576 1.00 0.00 C ATOM 1130 SD MET A 72 -7.391 -1.790 8.282 1.00 0.00 S ATOM 1131 CE MET A 72 -7.932 -0.939 9.762 1.00 0.00 C ATOM 0 H MET A 72 -5.691 -5.027 10.922 1.00 0.00 H new ATOM 0 HA MET A 72 -4.051 -3.918 8.716 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.195 -2.821 10.410 1.00 0.00 H new ATOM 0 HB3 MET A 72 -4.730 -1.866 10.524 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.196 -0.878 8.576 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.143 -2.426 7.755 1.00 0.00 H new ATOM 0 HE1 MET A 72 -8.941 -0.554 9.612 1.00 0.00 H new ATOM 0 HE2 MET A 72 -7.930 -1.633 10.602 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.255 -0.111 9.974 1.00 0.00 H new ATOM 1141 N PRO A 73 -2.124 -3.156 10.279 1.00 0.00 N ATOM 1142 CA PRO A 73 -1.961 -2.572 8.937 1.00 0.00 C ATOM 1143 C PRO A 73 -1.789 -3.635 7.849 1.00 0.00 C ATOM 1144 O PRO A 73 -1.119 -4.645 8.067 1.00 0.00 O ATOM 1145 CB PRO A 73 -0.681 -1.743 9.076 1.00 0.00 C ATOM 1146 CG PRO A 73 0.106 -2.467 10.109 1.00 0.00 C ATOM 1147 CD PRO A 73 -0.899 -3.009 11.088 1.00 0.00 C ATOM 0 HA PRO A 73 -2.836 -1.998 8.633 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.140 -1.683 8.132 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.899 -0.721 9.384 1.00 0.00 H new ATOM 0 HG2 PRO A 73 0.690 -3.272 9.662 1.00 0.00 H new ATOM 0 HG3 PRO A 73 0.811 -1.798 10.603 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.578 -3.963 11.506 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.051 -2.328 11.926 1.00 0.00 H new ATOM 1155 N THR A 74 -2.372 -3.401 6.674 1.00 0.00 N ATOM 1156 CA THR A 74 -2.246 -4.346 5.564 1.00 0.00 C ATOM 1157 C THR A 74 -1.566 -3.712 4.350 1.00 0.00 C ATOM 1158 O THR A 74 -2.008 -2.680 3.844 1.00 0.00 O ATOM 1159 CB THR A 74 -3.611 -4.905 5.110 1.00 0.00 C ATOM 1160 OG1 THR A 74 -4.593 -4.730 6.136 1.00 0.00 O ATOM 1161 CG2 THR A 74 -3.493 -6.381 4.754 1.00 0.00 C ATOM 0 H THR A 74 -2.931 -2.574 6.466 1.00 0.00 H new ATOM 0 HA THR A 74 -1.632 -5.161 5.948 1.00 0.00 H new ATOM 0 HB THR A 74 -3.925 -4.353 4.224 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.531 -5.468 6.777 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.465 -6.758 4.436 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.774 -6.504 3.944 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.155 -6.940 5.627 1.00 0.00 H new ATOM 1169 N PHE A 75 -0.514 -4.367 3.863 1.00 0.00 N ATOM 1170 CA PHE A 75 0.208 -3.907 2.677 1.00 0.00 C ATOM 1171 C PHE A 75 -0.054 -4.883 1.543 1.00 0.00 C ATOM 1172 O PHE A 75 0.291 -6.061 1.640 1.00 0.00 O ATOM 1173 CB PHE A 75 1.717 -3.814 2.930 1.00 0.00 C ATOM 1174 CG PHE A 75 2.156 -2.614 3.734 1.00 0.00 C ATOM 1175 CD1 PHE A 75 1.229 -1.771 4.333 1.00 0.00 C ATOM 1176 CD2 PHE A 75 3.507 -2.331 3.889 1.00 0.00 C ATOM 1177 CE1 PHE A 75 1.642 -0.674 5.067 1.00 0.00 C ATOM 1178 CE2 PHE A 75 3.922 -1.235 4.623 1.00 0.00 C ATOM 1179 CZ PHE A 75 2.989 -0.407 5.212 1.00 0.00 C ATOM 0 H PHE A 75 -0.140 -5.223 4.274 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.147 -2.908 2.422 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.040 -4.717 3.448 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.231 -3.796 1.969 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.174 -1.974 4.224 1.00 0.00 H new ATOM 0 HD2 PHE A 75 4.243 -2.975 3.430 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.911 -0.026 5.527 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.976 -1.027 4.735 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.312 0.449 5.786 1.00 0.00 H new ATOM 1189 N LYS A 76 -0.687 -4.409 0.481 1.00 0.00 N ATOM 1190 CA LYS A 76 -1.011 -5.275 -0.641 1.00 0.00 C ATOM 1191 C LYS A 76 -0.444 -4.744 -1.950 1.00 0.00 C ATOM 1192 O LYS A 76 -0.521 -3.549 -2.236 1.00 0.00 O ATOM 1193 CB LYS A 76 -2.530 -5.410 -0.765 1.00 0.00 C ATOM 1194 CG LYS A 76 -3.103 -6.652 -0.104 1.00 0.00 C ATOM 1195 CD LYS A 76 -4.241 -7.224 -0.926 1.00 0.00 C ATOM 1196 CE LYS A 76 -5.554 -6.519 -0.621 1.00 0.00 C ATOM 1197 NZ LYS A 76 -5.800 -6.409 0.844 1.00 0.00 N ATOM 0 H LYS A 76 -0.984 -3.439 0.373 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.559 -6.248 -0.449 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.998 -4.530 -0.325 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.797 -5.419 -1.822 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.320 -7.401 0.012 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.459 -6.405 0.896 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -4.011 -7.125 -1.987 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -4.342 -8.289 -0.719 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -5.542 -5.523 -1.063 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -6.375 -7.064 -1.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -6.823 -6.450 1.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -5.328 -7.195 1.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -5.421 -5.505 1.193 1.00 0.00 H new ATOM 1211 N VAL A 77 0.086 -5.651 -2.761 1.00 0.00 N ATOM 1212 CA VAL A 77 0.620 -5.289 -4.062 1.00 0.00 C ATOM 1213 C VAL A 77 -0.351 -5.759 -5.129 1.00 0.00 C ATOM 1214 O VAL A 77 -0.882 -6.867 -5.050 1.00 0.00 O ATOM 1215 CB VAL A 77 2.013 -5.894 -4.316 1.00 0.00 C ATOM 1216 CG1 VAL A 77 2.558 -5.434 -5.661 1.00 0.00 C ATOM 1217 CG2 VAL A 77 2.968 -5.513 -3.197 1.00 0.00 C ATOM 0 H VAL A 77 0.156 -6.644 -2.538 1.00 0.00 H new ATOM 0 HA VAL A 77 0.737 -4.206 -4.094 1.00 0.00 H new ATOM 0 HB VAL A 77 1.919 -6.980 -4.336 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.543 -5.871 -5.823 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.884 -5.754 -6.455 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.638 -4.347 -5.669 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.948 -5.948 -3.391 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.056 -4.428 -3.148 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.585 -5.889 -2.248 1.00 0.00 H new ATOM 1227 N TYR A 78 -0.621 -4.905 -6.097 1.00 0.00 N ATOM 1228 CA TYR A 78 -1.576 -5.235 -7.139 1.00 0.00 C ATOM 1229 C TYR A 78 -0.916 -5.383 -8.500 1.00 0.00 C ATOM 1230 O TYR A 78 -0.164 -4.514 -8.935 1.00 0.00 O ATOM 1231 CB TYR A 78 -2.644 -4.154 -7.195 1.00 0.00 C ATOM 1232 CG TYR A 78 -3.503 -4.089 -5.954 1.00 0.00 C ATOM 1233 CD1 TYR A 78 -3.074 -3.392 -4.833 1.00 0.00 C ATOM 1234 CD2 TYR A 78 -4.737 -4.722 -5.901 1.00 0.00 C ATOM 1235 CE1 TYR A 78 -3.851 -3.327 -3.693 1.00 0.00 C ATOM 1236 CE2 TYR A 78 -5.520 -4.662 -4.766 1.00 0.00 C ATOM 1237 CZ TYR A 78 -5.073 -3.964 -3.665 1.00 0.00 C ATOM 1238 OH TYR A 78 -5.850 -3.901 -2.535 1.00 0.00 O ATOM 0 H TYR A 78 -0.196 -3.982 -6.185 1.00 0.00 H new ATOM 0 HA TYR A 78 -2.023 -6.198 -6.893 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.163 -3.187 -7.345 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -3.283 -4.330 -8.060 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -2.117 -2.892 -4.852 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -5.090 -5.270 -6.762 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -3.503 -2.780 -2.829 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.478 -5.160 -4.741 1.00 0.00 H new ATOM 0 HH TYR A 78 -5.340 -3.482 -1.810 1.00 0.00 H new ATOM 1248 N LYS A 79 -1.219 -6.488 -9.171 1.00 0.00 N ATOM 1249 CA LYS A 79 -0.676 -6.761 -10.487 1.00 0.00 C ATOM 1250 C LYS A 79 -1.795 -6.853 -11.512 1.00 0.00 C ATOM 1251 O LYS A 79 -2.772 -7.579 -11.326 1.00 0.00 O ATOM 1252 CB LYS A 79 0.131 -8.056 -10.459 1.00 0.00 C ATOM 1253 CG LYS A 79 0.722 -8.429 -11.802 1.00 0.00 C ATOM 1254 CD LYS A 79 2.222 -8.659 -11.706 1.00 0.00 C ATOM 1255 CE LYS A 79 2.939 -8.240 -12.978 1.00 0.00 C ATOM 1256 NZ LYS A 79 4.350 -8.714 -13.002 1.00 0.00 N ATOM 0 H LYS A 79 -1.844 -7.212 -8.817 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.015 -5.943 -10.773 1.00 0.00 H new ATOM 0 HB2 LYS A 79 0.937 -7.957 -9.731 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.511 -8.867 -10.116 1.00 0.00 H new ATOM 0 HG2 LYS A 79 0.238 -9.331 -12.176 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.520 -7.637 -12.523 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.622 -8.098 -10.861 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.416 -9.713 -11.510 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.408 -8.638 -13.842 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.919 -7.154 -13.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.804 -8.408 -13.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.864 -8.314 -12.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.368 -9.752 -12.945 1.00 0.00 H new ATOM 1270 N ASN A 80 -1.643 -6.100 -12.588 1.00 0.00 N ATOM 1271 CA ASN A 80 -2.634 -6.068 -13.656 1.00 0.00 C ATOM 1272 C ASN A 80 -4.008 -5.659 -13.127 1.00 0.00 C ATOM 1273 O ASN A 80 -5.035 -6.140 -13.607 1.00 0.00 O ATOM 1274 CB ASN A 80 -2.726 -7.434 -14.338 1.00 0.00 C ATOM 1275 CG ASN A 80 -1.726 -7.584 -15.470 1.00 0.00 C ATOM 1276 OD1 ASN A 80 -1.922 -7.044 -16.559 1.00 0.00 O ATOM 1277 ND2 ASN A 80 -0.647 -8.320 -15.221 1.00 0.00 N ATOM 0 H ASN A 80 -0.836 -5.497 -12.748 1.00 0.00 H new ATOM 0 HA ASN A 80 -2.313 -5.323 -14.384 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -2.555 -8.218 -13.600 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -3.734 -7.576 -14.726 1.00 0.00 H new ATOM 0 HD21 ASN A 80 0.057 -8.455 -15.947 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -0.523 -8.750 -14.304 1.00 0.00 H new ATOM 1284 N GLY A 81 -4.024 -4.754 -12.150 1.00 0.00 N ATOM 1285 CA GLY A 81 -5.280 -4.282 -11.596 1.00 0.00 C ATOM 1286 C GLY A 81 -5.951 -5.279 -10.671 1.00 0.00 C ATOM 1287 O GLY A 81 -7.179 -5.357 -10.630 1.00 0.00 O ATOM 0 H GLY A 81 -3.190 -4.340 -11.734 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.101 -3.356 -11.049 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.960 -4.043 -12.413 1.00 0.00 H new ATOM 1291 N SER A 82 -5.160 -6.036 -9.918 1.00 0.00 N ATOM 1292 CA SER A 82 -5.718 -7.010 -8.989 1.00 0.00 C ATOM 1293 C SER A 82 -4.740 -7.304 -7.865 1.00 0.00 C ATOM 1294 O SER A 82 -3.561 -6.973 -7.961 1.00 0.00 O ATOM 1295 CB SER A 82 -6.091 -8.301 -9.722 1.00 0.00 C ATOM 1296 OG SER A 82 -7.492 -8.392 -9.917 1.00 0.00 O ATOM 0 H SER A 82 -4.141 -5.995 -9.932 1.00 0.00 H new ATOM 0 HA SER A 82 -6.623 -6.584 -8.554 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.584 -8.335 -10.686 1.00 0.00 H new ATOM 0 HB3 SER A 82 -5.744 -9.161 -9.149 1.00 0.00 H new ATOM 0 HG SER A 82 -7.839 -7.522 -10.204 1.00 0.00 H new ATOM 1302 N SER A 83 -5.234 -7.916 -6.793 1.00 0.00 N ATOM 1303 CA SER A 83 -4.391 -8.229 -5.649 1.00 0.00 C ATOM 1304 C SER A 83 -3.399 -9.332 -5.993 1.00 0.00 C ATOM 1305 O SER A 83 -3.758 -10.324 -6.627 1.00 0.00 O ATOM 1306 CB SER A 83 -5.244 -8.642 -4.451 1.00 0.00 C ATOM 1307 OG SER A 83 -6.483 -9.190 -4.868 1.00 0.00 O ATOM 0 H SER A 83 -6.208 -8.203 -6.695 1.00 0.00 H new ATOM 0 HA SER A 83 -3.831 -7.331 -5.387 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.703 -9.374 -3.851 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.423 -7.777 -3.813 1.00 0.00 H new ATOM 0 HG SER A 83 -7.008 -9.447 -4.082 1.00 0.00 H new ATOM 1313 N VAL A 84 -2.144 -9.147 -5.589 1.00 0.00 N ATOM 1314 CA VAL A 84 -1.108 -10.121 -5.879 1.00 0.00 C ATOM 1315 C VAL A 84 -0.455 -10.658 -4.600 1.00 0.00 C ATOM 1316 O VAL A 84 -0.063 -11.823 -4.543 1.00 0.00 O ATOM 1317 CB VAL A 84 -0.052 -9.513 -6.835 1.00 0.00 C ATOM 1318 CG1 VAL A 84 0.958 -8.646 -6.101 1.00 0.00 C ATOM 1319 CG2 VAL A 84 0.645 -10.599 -7.639 1.00 0.00 C ATOM 0 H VAL A 84 -1.826 -8.333 -5.062 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.577 -10.971 -6.375 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.587 -8.863 -7.527 1.00 0.00 H new ATOM 0 HG11 VAL A 84 1.677 -8.243 -6.814 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.440 -7.826 -5.604 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.482 -9.247 -5.358 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.381 -10.145 -8.302 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.145 -11.290 -6.960 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.091 -11.142 -8.232 1.00 0.00 H new ATOM 1329 N ASP A 85 -0.349 -9.814 -3.571 1.00 0.00 N ATOM 1330 CA ASP A 85 0.245 -10.232 -2.304 1.00 0.00 C ATOM 1331 C ASP A 85 -0.297 -9.418 -1.134 1.00 0.00 C ATOM 1332 O ASP A 85 -0.852 -8.336 -1.323 1.00 0.00 O ATOM 1333 CB ASP A 85 1.763 -10.103 -2.357 1.00 0.00 C ATOM 1334 CG ASP A 85 2.433 -10.726 -1.146 1.00 0.00 C ATOM 1335 OD1 ASP A 85 1.799 -11.580 -0.491 1.00 0.00 O ATOM 1336 OD2 ASP A 85 3.591 -10.361 -0.853 1.00 0.00 O ATOM 0 H ASP A 85 -0.665 -8.844 -3.592 1.00 0.00 H new ATOM 0 HA ASP A 85 -0.025 -11.277 -2.148 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.135 -10.582 -3.263 1.00 0.00 H new ATOM 0 HB3 ASP A 85 2.035 -9.049 -2.419 1.00 0.00 H new ATOM 1341 N THR A 86 -0.118 -9.941 0.078 1.00 0.00 N ATOM 1342 CA THR A 86 -0.572 -9.266 1.280 1.00 0.00 C ATOM 1343 C THR A 86 0.479 -9.351 2.384 1.00 0.00 C ATOM 1344 O THR A 86 1.091 -10.399 2.590 1.00 0.00 O ATOM 1345 CB THR A 86 -1.878 -9.880 1.796 1.00 0.00 C ATOM 1346 OG1 THR A 86 -1.719 -11.291 1.985 1.00 0.00 O ATOM 1347 CG2 THR A 86 -3.024 -9.618 0.832 1.00 0.00 C ATOM 0 H THR A 86 0.342 -10.836 0.248 1.00 0.00 H new ATOM 0 HA THR A 86 -0.741 -8.222 1.017 1.00 0.00 H new ATOM 0 HB THR A 86 -2.116 -9.411 2.751 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.558 -11.673 2.316 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.938 -10.065 1.223 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.165 -8.543 0.718 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.791 -10.058 -0.138 1.00 0.00 H new ATOM 1355 N LEU A 87 0.684 -8.244 3.093 1.00 0.00 N ATOM 1356 CA LEU A 87 1.661 -8.199 4.176 1.00 0.00 C ATOM 1357 C LEU A 87 1.013 -7.679 5.463 1.00 0.00 C ATOM 1358 O LEU A 87 0.457 -6.580 5.492 1.00 0.00 O ATOM 1359 CB LEU A 87 2.865 -7.338 3.751 1.00 0.00 C ATOM 1360 CG LEU A 87 3.329 -6.261 4.738 1.00 0.00 C ATOM 1361 CD1 LEU A 87 3.899 -6.887 5.995 1.00 0.00 C ATOM 1362 CD2 LEU A 87 4.359 -5.356 4.080 1.00 0.00 C ATOM 0 H LEU A 87 0.187 -7.367 2.937 1.00 0.00 H new ATOM 0 HA LEU A 87 2.022 -9.207 4.383 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.706 -8.003 3.555 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.618 -6.850 2.808 1.00 0.00 H new ATOM 0 HG LEU A 87 2.464 -5.661 5.023 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.221 -6.102 6.679 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.135 -7.497 6.477 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.752 -7.514 5.735 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.681 -4.595 4.791 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.219 -5.949 3.769 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.916 -4.874 3.208 1.00 0.00 H new ATOM 1374 N LEU A 88 1.078 -8.489 6.519 1.00 0.00 N ATOM 1375 CA LEU A 88 0.487 -8.132 7.809 1.00 0.00 C ATOM 1376 C LEU A 88 1.506 -7.437 8.707 1.00 0.00 C ATOM 1377 O LEU A 88 2.672 -7.826 8.756 1.00 0.00 O ATOM 1378 CB LEU A 88 -0.067 -9.378 8.508 1.00 0.00 C ATOM 1379 CG LEU A 88 -1.593 -9.462 8.558 1.00 0.00 C ATOM 1380 CD1 LEU A 88 -2.038 -10.843 9.015 1.00 0.00 C ATOM 1381 CD2 LEU A 88 -2.155 -8.385 9.475 1.00 0.00 C ATOM 0 H LEU A 88 1.536 -9.400 6.506 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.332 -7.438 7.621 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.315 -10.263 7.999 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.318 -9.406 9.527 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.981 -9.294 7.553 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.127 -10.883 9.044 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.666 -11.594 8.318 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.641 -11.042 10.010 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.242 -8.459 9.499 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.759 -8.521 10.482 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.866 -7.402 9.102 1.00 0.00 H new ATOM 1393 N GLY A 89 1.061 -6.392 9.402 1.00 0.00 N ATOM 1394 CA GLY A 89 1.955 -5.650 10.270 1.00 0.00 C ATOM 1395 C GLY A 89 2.997 -4.911 9.464 1.00 0.00 C ATOM 1396 O GLY A 89 3.714 -5.523 8.672 1.00 0.00 O ATOM 0 H GLY A 89 0.101 -6.049 9.379 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.382 -4.942 10.869 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.444 -6.333 10.965 1.00 0.00 H new ATOM 1400 N ALA A 90 3.075 -3.596 9.631 1.00 0.00 N ATOM 1401 CA ALA A 90 4.032 -2.818 8.866 1.00 0.00 C ATOM 1402 C ALA A 90 5.440 -2.941 9.432 1.00 0.00 C ATOM 1403 O ALA A 90 5.765 -2.368 10.472 1.00 0.00 O ATOM 1404 CB ALA A 90 3.604 -1.360 8.828 1.00 0.00 C ATOM 0 H ALA A 90 2.498 -3.058 10.277 1.00 0.00 H new ATOM 0 HA ALA A 90 4.051 -3.216 7.851 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.328 -0.783 8.252 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.622 -1.281 8.361 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.555 -0.969 9.844 1.00 0.00 H new ATOM 1410 N ASN A 91 6.280 -3.657 8.698 1.00 0.00 N ATOM 1411 CA ASN A 91 7.677 -3.836 9.057 1.00 0.00 C ATOM 1412 C ASN A 91 8.534 -3.333 7.902 1.00 0.00 C ATOM 1413 O ASN A 91 8.213 -3.591 6.742 1.00 0.00 O ATOM 1414 CB ASN A 91 7.971 -5.305 9.383 1.00 0.00 C ATOM 1415 CG ASN A 91 9.109 -5.462 10.374 1.00 0.00 C ATOM 1416 OD1 ASN A 91 10.282 -5.417 10.002 1.00 0.00 O ATOM 1417 ND2 ASN A 91 8.768 -5.647 11.646 1.00 0.00 N ATOM 0 H ASN A 91 6.010 -4.130 7.836 1.00 0.00 H new ATOM 0 HA ASN A 91 7.911 -3.264 9.955 1.00 0.00 H new ATOM 0 HB2 ASN A 91 7.073 -5.771 9.789 1.00 0.00 H new ATOM 0 HB3 ASN A 91 8.218 -5.836 8.464 1.00 0.00 H new ATOM 0 HD21 ASN A 91 9.491 -5.758 12.357 1.00 0.00 H new ATOM 0 HD22 ASN A 91 7.783 -5.678 11.911 1.00 0.00 H new ATOM 1424 N ASP A 92 9.598 -2.600 8.195 1.00 0.00 N ATOM 1425 CA ASP A 92 10.436 -2.065 7.127 1.00 0.00 C ATOM 1426 C ASP A 92 11.124 -3.194 6.350 1.00 0.00 C ATOM 1427 O ASP A 92 11.188 -3.174 5.122 1.00 0.00 O ATOM 1428 CB ASP A 92 11.497 -1.136 7.720 1.00 0.00 C ATOM 1429 CG ASP A 92 10.895 0.102 8.358 1.00 0.00 C ATOM 1430 OD1 ASP A 92 9.712 0.395 8.087 1.00 0.00 O ATOM 1431 OD2 ASP A 92 11.609 0.779 9.128 1.00 0.00 O ATOM 0 H ASP A 92 9.899 -2.365 9.141 1.00 0.00 H new ATOM 0 HA ASP A 92 9.799 -1.509 6.439 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.076 -1.680 8.466 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.191 -0.835 6.935 1.00 0.00 H new ATOM 1436 N SER A 93 11.633 -4.177 7.089 1.00 0.00 N ATOM 1437 CA SER A 93 12.321 -5.333 6.514 1.00 0.00 C ATOM 1438 C SER A 93 11.383 -6.309 5.804 1.00 0.00 C ATOM 1439 O SER A 93 11.740 -6.892 4.781 1.00 0.00 O ATOM 1440 CB SER A 93 13.085 -6.071 7.607 1.00 0.00 C ATOM 1441 OG SER A 93 13.649 -5.164 8.539 1.00 0.00 O ATOM 0 H SER A 93 11.580 -4.195 8.107 1.00 0.00 H new ATOM 0 HA SER A 93 13.003 -4.944 5.758 1.00 0.00 H new ATOM 0 HB2 SER A 93 12.414 -6.757 8.124 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.875 -6.674 7.159 1.00 0.00 H new ATOM 0 HG SER A 93 14.132 -5.663 9.230 1.00 0.00 H new ATOM 1447 N ALA A 94 10.202 -6.514 6.377 1.00 0.00 N ATOM 1448 CA ALA A 94 9.234 -7.458 5.821 1.00 0.00 C ATOM 1449 C ALA A 94 8.664 -6.944 4.529 1.00 0.00 C ATOM 1450 O ALA A 94 8.348 -7.714 3.621 1.00 0.00 O ATOM 1451 CB ALA A 94 8.126 -7.742 6.824 1.00 0.00 C ATOM 0 H ALA A 94 9.890 -6.041 7.225 1.00 0.00 H new ATOM 0 HA ALA A 94 9.754 -8.393 5.611 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.416 -8.447 6.392 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.556 -8.170 7.730 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.611 -6.813 7.070 1.00 0.00 H new ATOM 1457 N LEU A 95 8.555 -5.641 4.440 1.00 0.00 N ATOM 1458 CA LEU A 95 8.052 -5.025 3.250 1.00 0.00 C ATOM 1459 C LEU A 95 9.158 -4.941 2.221 1.00 0.00 C ATOM 1460 O LEU A 95 8.907 -5.005 1.019 1.00 0.00 O ATOM 1461 CB LEU A 95 7.537 -3.633 3.555 1.00 0.00 C ATOM 1462 CG LEU A 95 7.675 -2.662 2.390 1.00 0.00 C ATOM 1463 CD1 LEU A 95 6.362 -2.565 1.651 1.00 0.00 C ATOM 1464 CD2 LEU A 95 8.191 -1.313 2.858 1.00 0.00 C ATOM 0 H LEU A 95 8.810 -4.990 5.183 1.00 0.00 H new ATOM 0 HA LEU A 95 7.231 -5.626 2.860 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.487 -3.698 3.840 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.077 -3.235 4.414 1.00 0.00 H new ATOM 0 HG LEU A 95 8.420 -3.040 1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 95 6.464 -1.869 0.818 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.085 -3.548 1.271 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.588 -2.207 2.330 1.00 0.00 H new ATOM 0 HD21 LEU A 95 8.279 -0.641 2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.496 -0.889 3.583 1.00 0.00 H new ATOM 0 HD23 LEU A 95 9.169 -1.439 3.323 1.00 0.00 H new ATOM 1476 N LYS A 96 10.392 -4.786 2.694 1.00 0.00 N ATOM 1477 CA LYS A 96 11.510 -4.681 1.790 1.00 0.00 C ATOM 1478 C LYS A 96 11.504 -5.884 0.871 1.00 0.00 C ATOM 1479 O LYS A 96 11.602 -5.747 -0.343 1.00 0.00 O ATOM 1480 CB LYS A 96 12.828 -4.613 2.559 1.00 0.00 C ATOM 1481 CG LYS A 96 13.940 -3.922 1.790 1.00 0.00 C ATOM 1482 CD LYS A 96 14.795 -4.916 1.022 1.00 0.00 C ATOM 1483 CE LYS A 96 16.264 -4.762 1.368 1.00 0.00 C ATOM 1484 NZ LYS A 96 17.077 -5.906 0.873 1.00 0.00 N ATOM 0 H LYS A 96 10.631 -4.732 3.684 1.00 0.00 H new ATOM 0 HA LYS A 96 11.417 -3.765 1.207 1.00 0.00 H new ATOM 0 HB2 LYS A 96 12.665 -4.086 3.499 1.00 0.00 H new ATOM 0 HB3 LYS A 96 13.145 -5.625 2.812 1.00 0.00 H new ATOM 0 HG2 LYS A 96 13.509 -3.201 1.096 1.00 0.00 H new ATOM 0 HG3 LYS A 96 14.568 -3.361 2.483 1.00 0.00 H new ATOM 0 HD2 LYS A 96 14.470 -5.931 1.250 1.00 0.00 H new ATOM 0 HD3 LYS A 96 14.654 -4.769 -0.049 1.00 0.00 H new ATOM 0 HE2 LYS A 96 16.643 -3.835 0.937 1.00 0.00 H new ATOM 0 HE3 LYS A 96 16.375 -4.680 2.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 17.988 -5.555 0.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 17.245 -6.575 1.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 16.567 -6.388 0.106 1.00 0.00 H new ATOM 1498 N GLN A 97 11.356 -7.062 1.466 1.00 0.00 N ATOM 1499 CA GLN A 97 11.308 -8.296 0.699 1.00 0.00 C ATOM 1500 C GLN A 97 9.995 -8.432 -0.079 1.00 0.00 C ATOM 1501 O GLN A 97 9.993 -8.967 -1.188 1.00 0.00 O ATOM 1502 CB GLN A 97 11.530 -9.516 1.604 1.00 0.00 C ATOM 1503 CG GLN A 97 10.398 -9.795 2.581 1.00 0.00 C ATOM 1504 CD GLN A 97 10.695 -10.974 3.489 1.00 0.00 C ATOM 1505 OE1 GLN A 97 10.653 -12.127 3.059 1.00 0.00 O ATOM 1506 NE2 GLN A 97 10.997 -10.691 4.751 1.00 0.00 N ATOM 0 H GLN A 97 11.268 -7.186 2.475 1.00 0.00 H new ATOM 0 HA GLN A 97 12.119 -8.255 -0.028 1.00 0.00 H new ATOM 0 HB2 GLN A 97 11.676 -10.395 0.977 1.00 0.00 H new ATOM 0 HB3 GLN A 97 12.451 -9.371 2.168 1.00 0.00 H new ATOM 0 HG2 GLN A 97 10.219 -8.908 3.189 1.00 0.00 H new ATOM 0 HG3 GLN A 97 9.481 -9.990 2.025 1.00 0.00 H new ATOM 0 HE21 GLN A 97 11.020 -9.721 5.065 1.00 0.00 H new ATOM 0 HE22 GLN A 97 11.206 -11.444 5.407 1.00 0.00 H new ATOM 1515 N LEU A 98 8.874 -7.950 0.479 1.00 0.00 N ATOM 1516 CA LEU A 98 7.602 -8.044 -0.217 1.00 0.00 C ATOM 1517 C LEU A 98 7.604 -7.138 -1.445 1.00 0.00 C ATOM 1518 O LEU A 98 7.263 -7.556 -2.552 1.00 0.00 O ATOM 1519 CB LEU A 98 6.468 -7.666 0.742 1.00 0.00 C ATOM 1520 CG LEU A 98 5.226 -7.081 0.079 1.00 0.00 C ATOM 1521 CD1 LEU A 98 3.960 -7.658 0.696 1.00 0.00 C ATOM 1522 CD2 LEU A 98 5.232 -5.563 0.181 1.00 0.00 C ATOM 0 H LEU A 98 8.831 -7.501 1.394 1.00 0.00 H new ATOM 0 HA LEU A 98 7.447 -9.068 -0.557 1.00 0.00 H new ATOM 0 HB2 LEU A 98 6.177 -8.554 1.303 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.849 -6.944 1.464 1.00 0.00 H new ATOM 0 HG LEU A 98 5.241 -7.354 -0.976 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.087 -7.226 0.207 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.951 -8.740 0.564 1.00 0.00 H new ATOM 0 HD13 LEU A 98 3.934 -7.422 1.760 1.00 0.00 H new ATOM 0 HD21 LEU A 98 4.338 -5.163 -0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 98 5.244 -5.269 1.231 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.118 -5.168 -0.317 1.00 0.00 H new ATOM 1534 N ILE A 99 8.011 -5.899 -1.223 1.00 0.00 N ATOM 1535 CA ILE A 99 8.100 -4.896 -2.255 1.00 0.00 C ATOM 1536 C ILE A 99 9.226 -5.234 -3.228 1.00 0.00 C ATOM 1537 O ILE A 99 9.120 -4.990 -4.428 1.00 0.00 O ATOM 1538 CB ILE A 99 8.234 -3.505 -1.591 1.00 0.00 C ATOM 1539 CG1 ILE A 99 7.543 -2.461 -2.446 1.00 0.00 C ATOM 1540 CG2 ILE A 99 9.676 -3.116 -1.311 1.00 0.00 C ATOM 1541 CD1 ILE A 99 8.316 -2.136 -3.691 1.00 0.00 C ATOM 0 H ILE A 99 8.292 -5.563 -0.302 1.00 0.00 H new ATOM 0 HA ILE A 99 7.193 -4.875 -2.859 1.00 0.00 H new ATOM 0 HB ILE A 99 7.745 -3.560 -0.618 1.00 0.00 H new ATOM 0 HG12 ILE A 99 6.551 -2.820 -2.721 1.00 0.00 H new ATOM 0 HG13 ILE A 99 7.403 -1.552 -1.861 1.00 0.00 H new ATOM 0 HG21 ILE A 99 9.703 -2.131 -0.845 1.00 0.00 H new ATOM 0 HG22 ILE A 99 10.126 -3.847 -0.640 1.00 0.00 H new ATOM 0 HG23 ILE A 99 10.234 -3.090 -2.247 1.00 0.00 H new ATOM 0 HD11 ILE A 99 7.778 -1.384 -4.267 1.00 0.00 H new ATOM 0 HD12 ILE A 99 9.299 -1.750 -3.419 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.434 -3.038 -4.292 1.00 0.00 H new ATOM 1553 N GLU A 100 10.284 -5.835 -2.707 1.00 0.00 N ATOM 1554 CA GLU A 100 11.415 -6.248 -3.521 1.00 0.00 C ATOM 1555 C GLU A 100 11.020 -7.344 -4.508 1.00 0.00 C ATOM 1556 O GLU A 100 11.579 -7.454 -5.594 1.00 0.00 O ATOM 1557 CB GLU A 100 12.559 -6.745 -2.638 1.00 0.00 C ATOM 1558 CG GLU A 100 13.608 -5.684 -2.351 1.00 0.00 C ATOM 1559 CD GLU A 100 15.016 -6.246 -2.335 1.00 0.00 C ATOM 1560 OE1 GLU A 100 15.272 -7.186 -1.554 1.00 0.00 O ATOM 1561 OE2 GLU A 100 15.864 -5.745 -3.104 1.00 0.00 O ATOM 0 H GLU A 100 10.382 -6.049 -1.715 1.00 0.00 H new ATOM 0 HA GLU A 100 11.746 -5.376 -4.086 1.00 0.00 H new ATOM 0 HB2 GLU A 100 12.149 -7.104 -1.694 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.038 -7.596 -3.122 1.00 0.00 H new ATOM 0 HG2 GLU A 100 13.542 -4.900 -3.105 1.00 0.00 H new ATOM 0 HG3 GLU A 100 13.395 -5.219 -1.388 1.00 0.00 H new ATOM 1568 N LYS A 101 10.094 -8.185 -4.092 1.00 0.00 N ATOM 1569 CA LYS A 101 9.660 -9.317 -4.900 1.00 0.00 C ATOM 1570 C LYS A 101 8.999 -8.904 -6.205 1.00 0.00 C ATOM 1571 O LYS A 101 9.272 -9.475 -7.261 1.00 0.00 O ATOM 1572 CB LYS A 101 8.655 -10.125 -4.091 1.00 0.00 C ATOM 1573 CG LYS A 101 9.064 -11.569 -3.848 1.00 0.00 C ATOM 1574 CD LYS A 101 7.953 -12.528 -4.248 1.00 0.00 C ATOM 1575 CE LYS A 101 7.565 -12.353 -5.707 1.00 0.00 C ATOM 1576 NZ LYS A 101 8.109 -13.444 -6.563 1.00 0.00 N ATOM 0 H LYS A 101 9.621 -8.108 -3.191 1.00 0.00 H new ATOM 0 HA LYS A 101 10.549 -9.895 -5.154 1.00 0.00 H new ATOM 0 HB2 LYS A 101 8.503 -9.636 -3.129 1.00 0.00 H new ATOM 0 HB3 LYS A 101 7.696 -10.113 -4.609 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.966 -11.795 -4.417 1.00 0.00 H new ATOM 0 HG3 LYS A 101 9.308 -11.709 -2.795 1.00 0.00 H new ATOM 0 HD2 LYS A 101 8.278 -13.554 -4.077 1.00 0.00 H new ATOM 0 HD3 LYS A 101 7.081 -12.360 -3.616 1.00 0.00 H new ATOM 0 HE2 LYS A 101 6.479 -12.332 -5.793 1.00 0.00 H new ATOM 0 HE3 LYS A 101 7.932 -11.392 -6.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 7.821 -13.287 -7.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 9.147 -13.449 -6.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 7.739 -14.359 -6.236 1.00 0.00 H new ATOM 1590 N TYR A 102 8.114 -7.933 -6.122 1.00 0.00 N ATOM 1591 CA TYR A 102 7.392 -7.466 -7.290 1.00 0.00 C ATOM 1592 C TYR A 102 8.010 -6.198 -7.840 1.00 0.00 C ATOM 1593 O TYR A 102 7.889 -5.897 -9.027 1.00 0.00 O ATOM 1594 CB TYR A 102 5.925 -7.252 -6.926 1.00 0.00 C ATOM 1595 CG TYR A 102 5.432 -8.257 -5.919 1.00 0.00 C ATOM 1596 CD1 TYR A 102 5.263 -9.587 -6.273 1.00 0.00 C ATOM 1597 CD2 TYR A 102 5.163 -7.881 -4.612 1.00 0.00 C ATOM 1598 CE1 TYR A 102 4.838 -10.519 -5.352 1.00 0.00 C ATOM 1599 CE2 TYR A 102 4.730 -8.809 -3.683 1.00 0.00 C ATOM 1600 CZ TYR A 102 4.570 -10.128 -4.061 1.00 0.00 C ATOM 1601 OH TYR A 102 4.160 -11.062 -3.142 1.00 0.00 O ATOM 0 H TYR A 102 7.876 -7.450 -5.256 1.00 0.00 H new ATOM 0 HA TYR A 102 7.455 -8.221 -8.074 1.00 0.00 H new ATOM 0 HB2 TYR A 102 5.796 -6.247 -6.525 1.00 0.00 H new ATOM 0 HB3 TYR A 102 5.316 -7.317 -7.828 1.00 0.00 H new ATOM 0 HD1 TYR A 102 5.468 -9.897 -7.287 1.00 0.00 H new ATOM 0 HD2 TYR A 102 5.293 -6.851 -4.316 1.00 0.00 H new ATOM 0 HE1 TYR A 102 4.716 -11.552 -5.642 1.00 0.00 H new ATOM 0 HE2 TYR A 102 4.518 -8.505 -2.669 1.00 0.00 H new ATOM 0 HH TYR A 102 4.494 -10.816 -2.254 1.00 0.00 H new ATOM 1611 N ALA A 103 8.665 -5.450 -6.966 1.00 0.00 N ATOM 1612 CA ALA A 103 9.291 -4.208 -7.366 1.00 0.00 C ATOM 1613 C ALA A 103 10.776 -4.388 -7.585 1.00 0.00 C ATOM 1614 O ALA A 103 11.353 -3.797 -8.498 1.00 0.00 O ATOM 1615 CB ALA A 103 9.019 -3.143 -6.327 1.00 0.00 C ATOM 0 H ALA A 103 8.775 -5.684 -5.979 1.00 0.00 H new ATOM 0 HA ALA A 103 8.862 -3.891 -8.316 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.492 -2.209 -6.631 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.944 -2.992 -6.234 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.426 -3.460 -5.366 1.00 0.00 H new ATOM 1621 N ALA A 104 11.397 -5.212 -6.756 1.00 0.00 N ATOM 1622 CA ALA A 104 12.828 -5.453 -6.901 1.00 0.00 C ATOM 1623 C ALA A 104 13.105 -6.782 -7.596 1.00 0.00 C ATOM 1624 CB ALA A 104 13.543 -5.390 -5.561 1.00 0.00 C ATOM 0 H ALA A 104 10.947 -5.716 -5.992 1.00 0.00 H new ATOM 0 HA ALA A 104 13.223 -4.656 -7.531 1.00 0.00 H new ATOM 0 HB1 ALA A 104 14.607 -5.574 -5.707 1.00 0.00 H new ATOM 0 HB2 ALA A 104 13.403 -4.403 -5.120 1.00 0.00 H new ATOM 0 HB3 ALA A 104 13.132 -6.147 -4.893 1.00 0.00 H new TER 1630 ALA A 104