USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 755 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 65 ASN : amide:sc= -3.83 K(o=-9.2,f=-11!) USER MOD Set 1.2: A 88 MET CE :methyl -129:sc= -5.36 (180deg=-4.28!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0119 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -167:sc= -0.737 (180deg=-1.73!) USER MOD Single : A 29 MET CE :methyl -171:sc= -0.0113 (180deg=-0.144) USER MOD Single : A 30 HIS :FLIP no HD1:sc= -1.18 F(o=-1.9,f=-1.2) USER MOD Single : A 31 THR OG1 : rot 23:sc= -0.15 USER MOD Single : A 32 HIS : no HD1:sc= -0.0437 X(o=-0.044,f=0) USER MOD Single : A 39 TYR OH : rot -19:sc= 0.3 USER MOD Single : A 41 GLN : amide:sc= -0.929 X(o=-0.93,f=-1.1) USER MOD Single : A 42 THR OG1 : rot 180:sc= -1.26 USER MOD Single : A 47 SER OG : rot -39:sc= -0.426 USER MOD Single : A 56 SER OG : rot 75:sc= 1.11 USER MOD Single : A 67 SER OG : rot -160:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= -0.331 K(o=-0.33,f=-4!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HE2:sc= -4.89! C(o=-4.9!,f=-8.6!) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 7.527 4.575 -13.547 1.00 0.00 N ATOM 60 CA GLY A 7 8.167 3.286 -13.748 1.00 0.00 C ATOM 61 C GLY A 7 7.138 2.211 -14.104 1.00 0.00 C ATOM 62 O GLY A 7 6.404 2.350 -15.081 1.00 0.00 O ATOM 0 HA2 GLY A 7 8.907 3.364 -14.545 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.702 2.997 -12.843 1.00 0.00 H new ATOM 66 N TYR A 8 7.118 1.165 -13.292 1.00 0.00 N ATOM 67 CA TYR A 8 6.191 0.067 -13.509 1.00 0.00 C ATOM 68 C TYR A 8 5.270 -0.120 -12.302 1.00 0.00 C ATOM 69 O TYR A 8 5.633 0.228 -11.179 1.00 0.00 O ATOM 70 CB TYR A 8 7.053 -1.186 -13.676 1.00 0.00 C ATOM 71 CG TYR A 8 8.100 -1.373 -12.576 1.00 0.00 C ATOM 72 CD1 TYR A 8 7.717 -1.822 -11.329 1.00 0.00 C ATOM 73 CD2 TYR A 8 9.426 -1.091 -12.832 1.00 0.00 C ATOM 74 CE1 TYR A 8 8.703 -1.998 -10.294 1.00 0.00 C ATOM 75 CE2 TYR A 8 10.412 -1.267 -11.796 1.00 0.00 C ATOM 76 CZ TYR A 8 10.001 -1.712 -10.579 1.00 0.00 C ATOM 77 OH TYR A 8 10.932 -1.878 -9.601 1.00 0.00 O ATOM 0 H TYR A 8 7.729 1.054 -12.483 1.00 0.00 H new ATOM 0 HA TYR A 8 5.563 0.262 -14.378 1.00 0.00 H new ATOM 0 HB2 TYR A 8 6.403 -2.061 -13.697 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.559 -1.141 -14.641 1.00 0.00 H new ATOM 0 HD1 TYR A 8 6.679 -2.041 -11.129 1.00 0.00 H new ATOM 0 HD2 TYR A 8 9.725 -0.739 -13.808 1.00 0.00 H new ATOM 0 HE1 TYR A 8 8.418 -2.349 -9.313 1.00 0.00 H new ATOM 0 HE2 TYR A 8 11.454 -1.050 -11.982 1.00 0.00 H new ATOM 0 HH TYR A 8 11.817 -1.637 -9.947 1.00 0.00 H new ATOM 87 N VAL A 9 4.094 -0.668 -12.573 1.00 0.00 N ATOM 88 CA VAL A 9 3.119 -0.905 -11.523 1.00 0.00 C ATOM 89 C VAL A 9 3.069 -2.401 -11.208 1.00 0.00 C ATOM 90 O VAL A 9 3.390 -3.230 -12.058 1.00 0.00 O ATOM 91 CB VAL A 9 1.759 -0.335 -11.934 1.00 0.00 C ATOM 92 CG1 VAL A 9 0.728 -0.520 -10.819 1.00 0.00 C ATOM 93 CG2 VAL A 9 1.879 1.137 -12.332 1.00 0.00 C ATOM 0 H VAL A 9 3.795 -0.955 -13.505 1.00 0.00 H new ATOM 0 HA VAL A 9 3.410 -0.389 -10.608 1.00 0.00 H new ATOM 0 HB VAL A 9 1.413 -0.890 -12.806 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.229 -0.107 -11.136 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.611 -1.582 -10.604 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.067 -0.003 -9.921 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.899 1.517 -12.620 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.258 1.713 -11.487 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.566 1.232 -13.173 1.00 0.00 H new ATOM 103 N PHE A 10 2.664 -2.702 -9.982 1.00 0.00 N ATOM 104 CA PHE A 10 2.569 -4.084 -9.544 1.00 0.00 C ATOM 105 C PHE A 10 1.315 -4.304 -8.695 1.00 0.00 C ATOM 106 O PHE A 10 0.971 -3.468 -7.861 1.00 0.00 O ATOM 107 CB PHE A 10 3.805 -4.368 -8.689 1.00 0.00 C ATOM 108 CG PHE A 10 3.752 -3.749 -7.291 1.00 0.00 C ATOM 109 CD1 PHE A 10 4.214 -2.486 -7.089 1.00 0.00 C ATOM 110 CD2 PHE A 10 3.242 -4.461 -6.251 1.00 0.00 C ATOM 111 CE1 PHE A 10 4.165 -1.911 -5.791 1.00 0.00 C ATOM 112 CE2 PHE A 10 3.192 -3.886 -4.953 1.00 0.00 C ATOM 113 CZ PHE A 10 3.655 -2.624 -4.751 1.00 0.00 C ATOM 0 H PHE A 10 2.398 -2.012 -9.279 1.00 0.00 H new ATOM 0 HA PHE A 10 2.512 -4.746 -10.408 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.927 -5.447 -8.593 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.687 -3.992 -9.208 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.618 -1.920 -7.915 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.875 -5.464 -6.412 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.532 -0.908 -5.630 1.00 0.00 H new ATOM 0 HE2 PHE A 10 2.786 -4.451 -4.127 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.618 -2.187 -3.764 1.00 0.00 H new ATOM 123 N THR A 11 0.667 -5.434 -8.936 1.00 0.00 N ATOM 124 CA THR A 11 -0.541 -5.775 -8.204 1.00 0.00 C ATOM 125 C THR A 11 -0.188 -6.418 -6.861 1.00 0.00 C ATOM 126 O THR A 11 0.937 -6.875 -6.665 1.00 0.00 O ATOM 127 CB THR A 11 -1.400 -6.670 -9.099 1.00 0.00 C ATOM 128 OG1 THR A 11 -1.712 -5.845 -10.218 1.00 0.00 O ATOM 129 CG2 THR A 11 -2.762 -6.986 -8.478 1.00 0.00 C ATOM 0 H THR A 11 0.956 -6.125 -9.628 1.00 0.00 H new ATOM 0 HA THR A 11 -1.120 -4.884 -7.960 1.00 0.00 H new ATOM 0 HB THR A 11 -0.868 -7.600 -9.299 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.266 -6.348 -10.851 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.331 -7.624 -9.154 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.618 -7.501 -7.528 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.309 -6.058 -8.308 1.00 0.00 H new ATOM 137 N VAL A 12 -1.170 -6.433 -5.972 1.00 0.00 N ATOM 138 CA VAL A 12 -0.976 -7.012 -4.654 1.00 0.00 C ATOM 139 C VAL A 12 -2.240 -7.773 -4.245 1.00 0.00 C ATOM 140 O VAL A 12 -3.283 -7.167 -4.004 1.00 0.00 O ATOM 141 CB VAL A 12 -0.586 -5.922 -3.654 1.00 0.00 C ATOM 142 CG1 VAL A 12 0.415 -6.453 -2.626 1.00 0.00 C ATOM 143 CG2 VAL A 12 -0.031 -4.691 -4.375 1.00 0.00 C ATOM 0 H VAL A 12 -2.102 -6.054 -6.139 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.155 -7.728 -4.670 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.486 -5.620 -3.119 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.675 -5.658 -1.927 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.031 -7.284 -2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.315 -6.796 -3.137 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.239 -3.931 -3.642 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.853 -4.972 -4.948 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.789 -4.292 -5.049 1.00 0.00 H new ATOM 153 N GLU A 13 -2.105 -9.089 -4.180 1.00 0.00 N ATOM 154 CA GLU A 13 -3.222 -9.939 -3.806 1.00 0.00 C ATOM 155 C GLU A 13 -3.027 -10.477 -2.387 1.00 0.00 C ATOM 156 O GLU A 13 -2.133 -11.286 -2.144 1.00 0.00 O ATOM 157 CB GLU A 13 -3.401 -11.082 -4.806 1.00 0.00 C ATOM 158 CG GLU A 13 -4.333 -10.671 -5.948 1.00 0.00 C ATOM 159 CD GLU A 13 -4.708 -11.877 -6.811 1.00 0.00 C ATOM 160 OE1 GLU A 13 -5.455 -12.735 -6.293 1.00 0.00 O ATOM 161 OE2 GLU A 13 -4.240 -11.913 -7.970 1.00 0.00 O ATOM 0 H GLU A 13 -1.238 -9.588 -4.380 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.132 -9.339 -3.825 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -2.431 -11.372 -5.210 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -3.808 -11.955 -4.296 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.236 -10.217 -5.540 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.847 -9.915 -6.565 1.00 0.00 H new ATOM 168 N LEU A 14 -3.879 -10.007 -1.487 1.00 0.00 N ATOM 169 CA LEU A 14 -3.811 -10.432 -0.099 1.00 0.00 C ATOM 170 C LEU A 14 -5.179 -10.961 0.335 1.00 0.00 C ATOM 171 O LEU A 14 -6.161 -10.826 -0.394 1.00 0.00 O ATOM 172 CB LEU A 14 -3.282 -9.298 0.782 1.00 0.00 C ATOM 173 CG LEU A 14 -2.008 -8.606 0.292 1.00 0.00 C ATOM 174 CD1 LEU A 14 -2.166 -7.085 0.319 1.00 0.00 C ATOM 175 CD2 LEU A 14 -0.790 -9.070 1.092 1.00 0.00 C ATOM 0 H LEU A 14 -4.620 -9.336 -1.692 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.101 -11.251 0.015 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.065 -8.546 0.881 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.095 -9.696 1.779 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.840 -8.894 -0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.247 -6.617 -0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.993 -6.794 -0.328 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.371 -6.759 1.339 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.102 -8.563 0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.934 -8.831 2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.668 -10.147 0.978 1.00 0.00 H new ATOM 187 N GLU A 15 -5.201 -11.552 1.521 1.00 0.00 N ATOM 188 CA GLU A 15 -6.432 -12.102 2.061 1.00 0.00 C ATOM 189 C GLU A 15 -6.816 -11.377 3.352 1.00 0.00 C ATOM 190 O GLU A 15 -6.100 -11.455 4.349 1.00 0.00 O ATOM 191 CB GLU A 15 -6.304 -13.608 2.295 1.00 0.00 C ATOM 192 CG GLU A 15 -7.461 -14.131 3.148 1.00 0.00 C ATOM 193 CD GLU A 15 -7.623 -15.644 2.984 1.00 0.00 C ATOM 194 OE1 GLU A 15 -8.150 -16.046 1.924 1.00 0.00 O ATOM 195 OE2 GLU A 15 -7.217 -16.363 3.922 1.00 0.00 O ATOM 0 H GLU A 15 -4.385 -11.662 2.123 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.226 -11.948 1.331 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.289 -14.128 1.337 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.357 -13.824 2.789 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.281 -13.892 4.196 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.385 -13.629 2.861 1.00 0.00 H new ATOM 202 N ARG A 16 -7.946 -10.687 3.293 1.00 0.00 N ATOM 203 CA ARG A 16 -8.434 -9.949 4.445 1.00 0.00 C ATOM 204 C ARG A 16 -8.180 -10.741 5.729 1.00 0.00 C ATOM 205 O ARG A 16 -8.866 -11.725 6.001 1.00 0.00 O ATOM 206 CB ARG A 16 -9.931 -9.658 4.320 1.00 0.00 C ATOM 207 CG ARG A 16 -10.340 -8.492 5.222 1.00 0.00 C ATOM 208 CD ARG A 16 -11.856 -8.465 5.428 1.00 0.00 C ATOM 209 NE ARG A 16 -12.168 -8.294 6.865 1.00 0.00 N ATOM 210 CZ ARG A 16 -13.411 -8.260 7.364 1.00 0.00 C ATOM 211 NH1 ARG A 16 -14.466 -8.385 6.547 1.00 0.00 N ATOM 212 NH2 ARG A 16 -13.600 -8.102 8.682 1.00 0.00 N ATOM 0 H ARG A 16 -8.538 -10.624 2.465 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.895 -9.003 4.485 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.174 -9.423 3.284 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.502 -10.547 4.588 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.840 -8.580 6.186 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.013 -7.552 4.778 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -12.295 -7.650 4.852 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -12.298 -9.390 5.059 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.388 -8.196 7.515 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -14.323 -8.506 5.544 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -15.412 -8.359 6.928 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -12.798 -8.008 9.305 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -14.546 -8.076 9.062 1.00 0.00 H new ATOM 226 N GLY A 17 -7.193 -10.282 6.485 1.00 0.00 N ATOM 227 CA GLY A 17 -6.841 -10.935 7.734 1.00 0.00 C ATOM 228 C GLY A 17 -7.931 -10.728 8.787 1.00 0.00 C ATOM 229 O GLY A 17 -8.988 -10.174 8.492 1.00 0.00 O ATOM 0 H GLY A 17 -6.626 -9.465 6.256 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.694 -12.001 7.562 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.895 -10.538 8.102 1.00 0.00 H new ATOM 233 N PRO A 18 -7.628 -11.198 10.027 1.00 0.00 N ATOM 234 CA PRO A 18 -8.570 -11.069 11.127 1.00 0.00 C ATOM 235 C PRO A 18 -8.615 -9.631 11.645 1.00 0.00 C ATOM 236 O PRO A 18 -9.472 -9.287 12.458 1.00 0.00 O ATOM 237 CB PRO A 18 -8.090 -12.062 12.173 1.00 0.00 C ATOM 238 CG PRO A 18 -6.644 -12.372 11.822 1.00 0.00 C ATOM 239 CD PRO A 18 -6.386 -11.860 10.415 1.00 0.00 C ATOM 0 HA PRO A 18 -9.596 -11.287 10.830 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.167 -11.641 13.175 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.698 -12.967 12.160 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.968 -11.895 12.532 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.459 -13.445 11.878 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.545 -11.167 10.394 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.143 -12.677 9.735 1.00 0.00 H new ATOM 247 N SER A 19 -7.683 -8.828 11.152 1.00 0.00 N ATOM 248 CA SER A 19 -7.606 -7.434 11.555 1.00 0.00 C ATOM 249 C SER A 19 -8.033 -6.531 10.396 1.00 0.00 C ATOM 250 O SER A 19 -8.088 -5.311 10.544 1.00 0.00 O ATOM 251 CB SER A 19 -6.194 -7.072 12.018 1.00 0.00 C ATOM 252 OG SER A 19 -5.495 -8.201 12.535 1.00 0.00 O ATOM 0 H SER A 19 -6.975 -9.116 10.477 1.00 0.00 H new ATOM 0 HA SER A 19 -8.284 -7.282 12.395 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.635 -6.652 11.182 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.251 -6.299 12.784 1.00 0.00 H new ATOM 0 HG SER A 19 -4.597 -7.928 12.818 1.00 0.00 H new ATOM 258 N GLY A 20 -8.325 -7.164 9.270 1.00 0.00 N ATOM 259 CA GLY A 20 -8.746 -6.433 8.087 1.00 0.00 C ATOM 260 C GLY A 20 -7.540 -5.866 7.335 1.00 0.00 C ATOM 261 O GLY A 20 -7.525 -4.690 6.975 1.00 0.00 O ATOM 0 H GLY A 20 -8.278 -8.176 9.151 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.312 -7.093 7.429 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.414 -5.621 8.375 1.00 0.00 H new ATOM 265 N LEU A 21 -6.557 -6.729 7.120 1.00 0.00 N ATOM 266 CA LEU A 21 -5.350 -6.329 6.418 1.00 0.00 C ATOM 267 C LEU A 21 -4.410 -5.617 7.393 1.00 0.00 C ATOM 268 O LEU A 21 -4.239 -6.057 8.529 1.00 0.00 O ATOM 269 CB LEU A 21 -5.700 -5.498 5.182 1.00 0.00 C ATOM 270 CG LEU A 21 -6.931 -5.951 4.396 1.00 0.00 C ATOM 271 CD1 LEU A 21 -7.825 -4.760 4.043 1.00 0.00 C ATOM 272 CD2 LEU A 21 -6.527 -6.751 3.156 1.00 0.00 C ATOM 0 H LEU A 21 -6.573 -7.704 7.420 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.818 -7.204 6.045 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.853 -4.465 5.495 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.842 -5.504 4.510 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.516 -6.616 5.032 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.693 -5.110 3.484 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.156 -4.270 4.958 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.263 -4.051 3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.421 -7.061 2.616 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.908 -6.130 2.508 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.963 -7.633 3.460 1.00 0.00 H new ATOM 284 N GLY A 22 -3.826 -4.529 6.913 1.00 0.00 N ATOM 285 CA GLY A 22 -2.908 -3.751 7.728 1.00 0.00 C ATOM 286 C GLY A 22 -2.105 -2.773 6.868 1.00 0.00 C ATOM 287 O GLY A 22 -0.888 -2.902 6.748 1.00 0.00 O ATOM 0 H GLY A 22 -3.971 -4.168 5.970 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.466 -3.201 8.486 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.228 -4.420 8.255 1.00 0.00 H new ATOM 291 N MET A 23 -2.820 -1.817 6.292 1.00 0.00 N ATOM 292 CA MET A 23 -2.189 -0.818 5.447 1.00 0.00 C ATOM 293 C MET A 23 -2.613 0.594 5.858 1.00 0.00 C ATOM 294 O MET A 23 -3.705 1.042 5.515 1.00 0.00 O ATOM 295 CB MET A 23 -2.579 -1.064 3.988 1.00 0.00 C ATOM 296 CG MET A 23 -1.342 -1.329 3.128 1.00 0.00 C ATOM 297 SD MET A 23 -1.805 -1.428 1.407 1.00 0.00 S ATOM 298 CE MET A 23 -3.411 -2.190 1.561 1.00 0.00 C ATOM 0 H MET A 23 -3.830 -1.714 6.394 1.00 0.00 H new ATOM 0 HA MET A 23 -1.108 -0.901 5.563 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.258 -1.915 3.928 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.117 -0.199 3.601 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.612 -0.533 3.271 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.865 -2.259 3.439 1.00 0.00 H new ATOM 0 HE1 MET A 23 -3.745 -2.535 0.583 1.00 0.00 H new ATOM 0 HE2 MET A 23 -3.347 -3.038 2.243 1.00 0.00 H new ATOM 0 HE3 MET A 23 -4.123 -1.463 1.952 1.00 0.00 H new ATOM 308 N GLY A 24 -1.725 1.255 6.587 1.00 0.00 N ATOM 309 CA GLY A 24 -1.993 2.606 7.048 1.00 0.00 C ATOM 310 C GLY A 24 -1.940 3.602 5.887 1.00 0.00 C ATOM 311 O GLY A 24 -0.991 4.376 5.772 1.00 0.00 O ATOM 0 H GLY A 24 -0.820 0.880 6.869 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.974 2.645 7.521 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.262 2.887 7.807 1.00 0.00 H new ATOM 315 N LEU A 25 -2.971 3.550 5.057 1.00 0.00 N ATOM 316 CA LEU A 25 -3.054 4.438 3.910 1.00 0.00 C ATOM 317 C LEU A 25 -3.547 5.812 4.368 1.00 0.00 C ATOM 318 O LEU A 25 -4.408 5.907 5.242 1.00 0.00 O ATOM 319 CB LEU A 25 -3.912 3.813 2.809 1.00 0.00 C ATOM 320 CG LEU A 25 -3.651 2.334 2.514 1.00 0.00 C ATOM 321 CD1 LEU A 25 -4.326 1.908 1.208 1.00 0.00 C ATOM 322 CD2 LEU A 25 -2.152 2.032 2.509 1.00 0.00 C ATOM 0 H LEU A 25 -3.756 2.907 5.156 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.068 4.583 3.470 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.961 3.929 3.083 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.758 4.379 1.890 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.096 1.743 3.314 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.125 0.853 1.022 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.402 2.064 1.287 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.933 2.503 0.384 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.995 0.974 2.297 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.662 2.633 1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.729 2.273 3.484 1.00 0.00 H new ATOM 334 N ILE A 26 -2.980 6.843 3.758 1.00 0.00 N ATOM 335 CA ILE A 26 -3.352 8.207 4.093 1.00 0.00 C ATOM 336 C ILE A 26 -3.474 9.028 2.807 1.00 0.00 C ATOM 337 O ILE A 26 -2.837 8.713 1.803 1.00 0.00 O ATOM 338 CB ILE A 26 -2.370 8.796 5.108 1.00 0.00 C ATOM 339 CG1 ILE A 26 -2.849 10.161 5.606 1.00 0.00 C ATOM 340 CG2 ILE A 26 -0.956 8.863 4.528 1.00 0.00 C ATOM 341 CD1 ILE A 26 -2.550 10.337 7.096 1.00 0.00 C ATOM 0 H ILE A 26 -2.266 6.761 3.034 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.328 8.228 4.579 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.333 8.132 5.972 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.360 10.952 5.037 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.921 10.260 5.432 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.278 9.285 5.270 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.624 7.859 4.263 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.957 9.492 3.638 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.901 11.315 7.424 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.061 9.559 7.664 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.475 10.262 7.263 1.00 0.00 H new ATOM 353 N ASP A 27 -4.296 10.064 2.881 1.00 0.00 N ATOM 354 CA ASP A 27 -4.510 10.932 1.735 1.00 0.00 C ATOM 355 C ASP A 27 -3.249 11.764 1.489 1.00 0.00 C ATOM 356 O ASP A 27 -2.794 12.485 2.376 1.00 0.00 O ATOM 357 CB ASP A 27 -5.671 11.897 1.984 1.00 0.00 C ATOM 358 CG ASP A 27 -5.727 12.493 3.392 1.00 0.00 C ATOM 359 OD1 ASP A 27 -5.902 11.696 4.339 1.00 0.00 O ATOM 360 OD2 ASP A 27 -5.592 13.731 3.490 1.00 0.00 O ATOM 0 H ASP A 27 -4.822 10.322 3.716 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.741 10.304 0.875 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.607 12.712 1.263 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.607 11.373 1.790 1.00 0.00 H new ATOM 365 N GLY A 28 -2.721 11.636 0.281 1.00 0.00 N ATOM 366 CA GLY A 28 -1.522 12.366 -0.093 1.00 0.00 C ATOM 367 C GLY A 28 -1.614 13.831 0.341 1.00 0.00 C ATOM 368 O GLY A 28 -0.597 14.468 0.609 1.00 0.00 O ATOM 0 H GLY A 28 -3.102 11.037 -0.452 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.650 11.901 0.367 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.380 12.311 -1.172 1.00 0.00 H new ATOM 372 N MET A 29 -2.844 14.322 0.397 1.00 0.00 N ATOM 373 CA MET A 29 -3.082 15.699 0.794 1.00 0.00 C ATOM 374 C MET A 29 -2.680 15.926 2.252 1.00 0.00 C ATOM 375 O MET A 29 -2.218 17.008 2.611 1.00 0.00 O ATOM 376 CB MET A 29 -4.565 16.032 0.614 1.00 0.00 C ATOM 377 CG MET A 29 -4.941 16.078 -0.868 1.00 0.00 C ATOM 378 SD MET A 29 -5.042 17.773 -1.420 1.00 0.00 S ATOM 379 CE MET A 29 -4.240 17.630 -3.008 1.00 0.00 C ATOM 0 H MET A 29 -3.686 13.791 0.174 1.00 0.00 H new ATOM 0 HA MET A 29 -2.475 16.350 0.165 1.00 0.00 H new ATOM 0 HB2 MET A 29 -5.173 15.285 1.124 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.784 16.993 1.078 1.00 0.00 H new ATOM 0 HG2 MET A 29 -4.199 15.539 -1.457 1.00 0.00 H new ATOM 0 HG3 MET A 29 -5.897 15.578 -1.025 1.00 0.00 H new ATOM 0 HE1 MET A 29 -4.073 18.624 -3.422 1.00 0.00 H new ATOM 0 HE2 MET A 29 -3.283 17.122 -2.888 1.00 0.00 H new ATOM 0 HE3 MET A 29 -4.873 17.056 -3.685 1.00 0.00 H new ATOM 389 N HIS A 30 -2.871 14.889 3.054 1.00 0.00 N ATOM 390 CA HIS A 30 -2.534 14.962 4.466 1.00 0.00 C ATOM 391 C HIS A 30 -1.014 14.916 4.633 1.00 0.00 C ATOM 392 O HIS A 30 -0.461 15.589 5.501 1.00 0.00 O ATOM 393 CB HIS A 30 -3.252 13.864 5.253 1.00 0.00 C ATOM 394 CG HIS A 30 -4.489 14.338 5.979 1.00 0.00 C ATOM 395 ND1 HIS A 30 -5.323 15.387 5.727 1.00 0.00 N flip ATOM 396 CD2 HIS A 30 -4.985 13.705 7.105 1.00 0.00 C flip ATOM 397 CE1 HIS A 30 -6.278 15.394 6.649 1.00 0.00 C flip ATOM 398 NE2 HIS A 30 -6.070 14.353 7.505 1.00 0.00 N flip ATOM 0 H HIS A 30 -3.255 13.993 2.753 1.00 0.00 H new ATOM 0 HA HIS A 30 -2.881 15.909 4.879 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -3.530 13.063 4.568 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.558 13.438 5.978 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -4.560 12.832 7.578 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -7.087 16.107 6.711 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -6.648 14.115 8.311 1.00 0.00 H new ATOM 406 N THR A 31 -0.382 14.113 3.789 1.00 0.00 N ATOM 407 CA THR A 31 1.063 13.970 3.833 1.00 0.00 C ATOM 408 C THR A 31 1.737 15.128 3.094 1.00 0.00 C ATOM 409 O THR A 31 1.133 15.744 2.217 1.00 0.00 O ATOM 410 CB THR A 31 1.419 12.595 3.262 1.00 0.00 C ATOM 411 OG1 THR A 31 0.730 12.548 2.016 1.00 0.00 O ATOM 412 CG2 THR A 31 0.807 11.449 4.071 1.00 0.00 C ATOM 0 H THR A 31 -0.844 13.555 3.071 1.00 0.00 H new ATOM 0 HA THR A 31 1.434 14.020 4.857 1.00 0.00 H new ATOM 0 HB THR A 31 2.503 12.482 3.236 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.550 13.460 1.707 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.090 10.496 3.624 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.173 11.492 5.097 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.279 11.542 4.070 1.00 0.00 H new ATOM 420 N HIS A 32 2.978 15.389 3.476 1.00 0.00 N ATOM 421 CA HIS A 32 3.741 16.462 2.860 1.00 0.00 C ATOM 422 C HIS A 32 3.522 16.444 1.346 1.00 0.00 C ATOM 423 O HIS A 32 3.487 17.494 0.708 1.00 0.00 O ATOM 424 CB HIS A 32 5.218 16.370 3.247 1.00 0.00 C ATOM 425 CG HIS A 32 5.571 17.124 4.506 1.00 0.00 C ATOM 426 ND1 HIS A 32 6.853 17.569 4.779 1.00 0.00 N ATOM 427 CD2 HIS A 32 4.798 17.507 5.563 1.00 0.00 C ATOM 428 CE1 HIS A 32 6.840 18.190 5.949 1.00 0.00 C ATOM 429 NE2 HIS A 32 5.566 18.150 6.434 1.00 0.00 N ATOM 0 H HIS A 32 3.475 14.876 4.204 1.00 0.00 H new ATOM 0 HA HIS A 32 3.388 17.424 3.231 1.00 0.00 H new ATOM 0 HB2 HIS A 32 5.484 15.321 3.377 1.00 0.00 H new ATOM 0 HB3 HIS A 32 5.823 16.753 2.425 1.00 0.00 H new ATOM 0 HD2 HIS A 32 3.740 17.319 5.673 1.00 0.00 H new ATOM 0 HE1 HIS A 32 7.690 18.648 6.434 1.00 0.00 H new ATOM 0 HE2 HIS A 32 5.255 18.548 7.320 1.00 0.00 H new ATOM 437 N LEU A 33 3.379 15.238 0.815 1.00 0.00 N ATOM 438 CA LEU A 33 3.165 15.069 -0.612 1.00 0.00 C ATOM 439 C LEU A 33 2.207 16.153 -1.111 1.00 0.00 C ATOM 440 O LEU A 33 2.371 16.671 -2.215 1.00 0.00 O ATOM 441 CB LEU A 33 2.695 13.646 -0.918 1.00 0.00 C ATOM 442 CG LEU A 33 3.223 13.030 -2.215 1.00 0.00 C ATOM 443 CD1 LEU A 33 4.620 12.440 -2.013 1.00 0.00 C ATOM 444 CD2 LEU A 33 2.241 11.997 -2.772 1.00 0.00 C ATOM 0 H LEU A 33 3.407 14.369 1.348 1.00 0.00 H new ATOM 0 HA LEU A 33 4.101 15.195 -1.155 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.986 13.002 -0.088 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.606 13.644 -0.955 1.00 0.00 H new ATOM 0 HG LEU A 33 3.312 13.823 -2.957 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.972 12.009 -2.950 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.305 13.227 -1.696 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.580 11.664 -1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.641 11.575 -3.694 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.097 11.201 -2.041 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.285 12.478 -2.978 1.00 0.00 H new ATOM 456 N GLY A 34 1.229 16.465 -0.274 1.00 0.00 N ATOM 457 CA GLY A 34 0.245 17.478 -0.616 1.00 0.00 C ATOM 458 C GLY A 34 -0.384 17.192 -1.981 1.00 0.00 C ATOM 459 O GLY A 34 -0.938 18.090 -2.614 1.00 0.00 O ATOM 0 H GLY A 34 1.097 16.034 0.641 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.532 17.508 0.148 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.718 18.460 -0.628 1.00 0.00 H new ATOM 463 N ALA A 35 -0.278 15.938 -2.395 1.00 0.00 N ATOM 464 CA ALA A 35 -0.830 15.522 -3.673 1.00 0.00 C ATOM 465 C ALA A 35 -2.042 14.621 -3.432 1.00 0.00 C ATOM 466 O ALA A 35 -2.144 13.977 -2.389 1.00 0.00 O ATOM 467 CB ALA A 35 0.257 14.829 -4.497 1.00 0.00 C ATOM 0 H ALA A 35 0.182 15.196 -1.868 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.171 16.386 -4.243 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.157 14.517 -5.456 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.082 15.521 -4.666 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.621 13.955 -3.957 1.00 0.00 H new ATOM 473 N PRO A 36 -2.956 14.604 -4.439 1.00 0.00 N ATOM 474 CA PRO A 36 -4.157 13.793 -4.346 1.00 0.00 C ATOM 475 C PRO A 36 -3.838 12.313 -4.564 1.00 0.00 C ATOM 476 O PRO A 36 -2.923 11.975 -5.314 1.00 0.00 O ATOM 477 CB PRO A 36 -5.097 14.359 -5.399 1.00 0.00 C ATOM 478 CG PRO A 36 -4.222 15.157 -6.352 1.00 0.00 C ATOM 479 CD PRO A 36 -2.869 15.354 -5.689 1.00 0.00 C ATOM 0 HA PRO A 36 -4.616 13.834 -3.358 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -5.621 13.561 -5.925 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -5.858 14.993 -4.943 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -4.110 14.629 -7.299 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -4.681 16.120 -6.576 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.061 14.981 -6.319 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.668 16.409 -5.504 1.00 0.00 H new ATOM 487 N GLY A 37 -4.610 11.469 -3.896 1.00 0.00 N ATOM 488 CA GLY A 37 -4.421 10.033 -4.007 1.00 0.00 C ATOM 489 C GLY A 37 -4.039 9.424 -2.657 1.00 0.00 C ATOM 490 O GLY A 37 -3.639 10.139 -1.740 1.00 0.00 O ATOM 0 H GLY A 37 -5.368 11.752 -3.275 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.337 9.569 -4.373 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.642 9.821 -4.739 1.00 0.00 H new ATOM 494 N LEU A 38 -4.175 8.108 -2.577 1.00 0.00 N ATOM 495 CA LEU A 38 -3.850 7.395 -1.354 1.00 0.00 C ATOM 496 C LEU A 38 -2.402 6.906 -1.424 1.00 0.00 C ATOM 497 O LEU A 38 -1.862 6.706 -2.512 1.00 0.00 O ATOM 498 CB LEU A 38 -4.864 6.278 -1.098 1.00 0.00 C ATOM 499 CG LEU A 38 -6.204 6.714 -0.502 1.00 0.00 C ATOM 500 CD1 LEU A 38 -6.093 6.913 1.011 1.00 0.00 C ATOM 501 CD2 LEU A 38 -6.738 7.962 -1.207 1.00 0.00 C ATOM 0 H LEU A 38 -4.506 7.517 -3.340 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.922 8.062 -0.495 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.057 5.766 -2.041 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.410 5.549 -0.427 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.927 5.916 -0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.059 7.223 1.409 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.791 5.977 1.480 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.350 7.682 1.223 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.691 8.250 -0.764 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.024 8.778 -1.094 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.880 7.749 -2.266 1.00 0.00 H new ATOM 513 N TYR A 39 -1.813 6.726 -0.251 1.00 0.00 N ATOM 514 CA TYR A 39 -0.438 6.264 -0.166 1.00 0.00 C ATOM 515 C TYR A 39 -0.201 5.484 1.129 1.00 0.00 C ATOM 516 O TYR A 39 -0.825 5.766 2.151 1.00 0.00 O ATOM 517 CB TYR A 39 0.430 7.524 -0.154 1.00 0.00 C ATOM 518 CG TYR A 39 0.271 8.400 -1.398 1.00 0.00 C ATOM 519 CD1 TYR A 39 -0.804 9.259 -1.504 1.00 0.00 C ATOM 520 CD2 TYR A 39 1.203 8.332 -2.414 1.00 0.00 C ATOM 521 CE1 TYR A 39 -0.954 10.084 -2.675 1.00 0.00 C ATOM 522 CE2 TYR A 39 1.054 9.157 -3.584 1.00 0.00 C ATOM 523 CZ TYR A 39 -0.017 9.992 -3.657 1.00 0.00 C ATOM 524 OH TYR A 39 -0.159 10.772 -4.763 1.00 0.00 O ATOM 0 H TYR A 39 -2.263 6.892 0.649 1.00 0.00 H new ATOM 0 HA TYR A 39 -0.203 5.602 -1.000 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.183 8.115 0.728 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.476 7.232 -0.059 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.533 9.313 -0.709 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.044 7.660 -2.331 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.791 10.760 -2.771 1.00 0.00 H new ATOM 0 HE2 TYR A 39 1.776 9.114 -4.386 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.087 11.080 -4.829 1.00 0.00 H new ATOM 534 N ILE A 40 0.701 4.517 1.043 1.00 0.00 N ATOM 535 CA ILE A 40 1.028 3.695 2.195 1.00 0.00 C ATOM 536 C ILE A 40 1.783 4.540 3.223 1.00 0.00 C ATOM 537 O ILE A 40 2.743 5.229 2.880 1.00 0.00 O ATOM 538 CB ILE A 40 1.783 2.438 1.759 1.00 0.00 C ATOM 539 CG1 ILE A 40 0.935 1.591 0.808 1.00 0.00 C ATOM 540 CG2 ILE A 40 2.259 1.635 2.971 1.00 0.00 C ATOM 541 CD1 ILE A 40 1.578 0.223 0.570 1.00 0.00 C ATOM 0 H ILE A 40 1.215 4.285 0.193 1.00 0.00 H new ATOM 0 HA ILE A 40 0.118 3.341 2.680 1.00 0.00 H new ATOM 0 HB ILE A 40 2.672 2.748 1.209 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.064 1.460 1.225 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.818 2.112 -0.142 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.793 0.747 2.632 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.925 2.250 3.576 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.399 1.335 3.569 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.955 -0.359 -0.109 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.567 0.357 0.131 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.671 -0.305 1.519 1.00 0.00 H new ATOM 553 N GLN A 41 1.321 4.460 4.462 1.00 0.00 N ATOM 554 CA GLN A 41 1.941 5.209 5.541 1.00 0.00 C ATOM 555 C GLN A 41 2.636 4.258 6.517 1.00 0.00 C ATOM 556 O GLN A 41 3.746 4.531 6.972 1.00 0.00 O ATOM 557 CB GLN A 41 0.913 6.082 6.264 1.00 0.00 C ATOM 558 CG GLN A 41 1.558 7.363 6.797 1.00 0.00 C ATOM 559 CD GLN A 41 0.702 7.992 7.897 1.00 0.00 C ATOM 560 OE1 GLN A 41 0.118 7.315 8.728 1.00 0.00 O ATOM 561 NE2 GLN A 41 0.659 9.320 7.857 1.00 0.00 N ATOM 0 H GLN A 41 0.525 3.888 4.743 1.00 0.00 H new ATOM 0 HA GLN A 41 2.693 5.871 5.112 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.102 6.336 5.581 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.472 5.523 7.089 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.551 7.139 7.187 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.689 8.075 5.982 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.172 9.825 7.134 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.114 9.834 8.549 1.00 0.00 H new ATOM 570 N THR A 42 1.954 3.160 6.811 1.00 0.00 N ATOM 571 CA THR A 42 2.492 2.167 7.724 1.00 0.00 C ATOM 572 C THR A 42 2.167 0.756 7.229 1.00 0.00 C ATOM 573 O THR A 42 1.441 0.589 6.251 1.00 0.00 O ATOM 574 CB THR A 42 1.942 2.462 9.121 1.00 0.00 C ATOM 575 OG1 THR A 42 0.644 2.996 8.877 1.00 0.00 O ATOM 576 CG2 THR A 42 2.690 3.603 9.815 1.00 0.00 C ATOM 0 H THR A 42 1.033 2.937 6.433 1.00 0.00 H new ATOM 0 HA THR A 42 3.580 2.220 7.769 1.00 0.00 H new ATOM 0 HB THR A 42 2.003 1.562 9.733 1.00 0.00 H new ATOM 0 HG1 THR A 42 0.214 3.214 9.730 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.261 3.772 10.802 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.743 3.339 9.917 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.600 4.512 9.220 1.00 0.00 H new ATOM 584 N LEU A 43 2.721 -0.224 7.928 1.00 0.00 N ATOM 585 CA LEU A 43 2.500 -1.615 7.572 1.00 0.00 C ATOM 586 C LEU A 43 2.435 -2.459 8.846 1.00 0.00 C ATOM 587 O LEU A 43 3.464 -2.901 9.356 1.00 0.00 O ATOM 588 CB LEU A 43 3.559 -2.088 6.574 1.00 0.00 C ATOM 589 CG LEU A 43 3.186 -1.973 5.095 1.00 0.00 C ATOM 590 CD1 LEU A 43 4.356 -2.388 4.200 1.00 0.00 C ATOM 591 CD2 LEU A 43 1.917 -2.770 4.785 1.00 0.00 C ATOM 0 H LEU A 43 3.323 -0.082 8.739 1.00 0.00 H new ATOM 0 HA LEU A 43 1.543 -1.730 7.064 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.471 -1.516 6.744 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.792 -3.131 6.789 1.00 0.00 H new ATOM 0 HG LEU A 43 2.970 -0.927 4.878 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.064 -2.297 3.154 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.211 -1.741 4.396 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.627 -3.422 4.412 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.674 -2.671 3.727 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.080 -3.821 5.023 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.091 -2.386 5.384 1.00 0.00 H new ATOM 603 N LEU A 44 1.216 -2.658 9.325 1.00 0.00 N ATOM 604 CA LEU A 44 1.003 -3.441 10.530 1.00 0.00 C ATOM 605 C LEU A 44 1.923 -4.664 10.507 1.00 0.00 C ATOM 606 O LEU A 44 2.272 -5.163 9.438 1.00 0.00 O ATOM 607 CB LEU A 44 -0.478 -3.789 10.689 1.00 0.00 C ATOM 608 CG LEU A 44 -1.111 -3.428 12.034 1.00 0.00 C ATOM 609 CD1 LEU A 44 -2.291 -2.472 11.846 1.00 0.00 C ATOM 610 CD2 LEU A 44 -1.510 -4.686 12.808 1.00 0.00 C ATOM 0 H LEU A 44 0.365 -2.290 8.900 1.00 0.00 H new ATOM 0 HA LEU A 44 1.266 -2.859 11.413 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.036 -3.285 9.900 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.598 -4.861 10.529 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.365 -2.905 12.633 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.723 -2.231 12.818 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.945 -1.557 11.366 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.047 -2.946 11.220 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.957 -4.401 13.760 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.232 -5.258 12.225 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.626 -5.296 12.991 1.00 0.00 H new ATOM 622 N PRO A 45 2.298 -5.124 11.731 1.00 0.00 N ATOM 623 CA PRO A 45 3.170 -6.279 11.861 1.00 0.00 C ATOM 624 C PRO A 45 2.411 -7.575 11.568 1.00 0.00 C ATOM 625 O PRO A 45 2.784 -8.328 10.670 1.00 0.00 O ATOM 626 CB PRO A 45 3.703 -6.211 13.283 1.00 0.00 C ATOM 627 CG PRO A 45 2.757 -5.293 14.039 1.00 0.00 C ATOM 628 CD PRO A 45 1.903 -4.559 13.018 1.00 0.00 C ATOM 0 HA PRO A 45 3.989 -6.271 11.142 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.732 -7.202 13.737 1.00 0.00 H new ATOM 0 HB3 PRO A 45 4.721 -5.822 13.300 1.00 0.00 H new ATOM 0 HG2 PRO A 45 2.129 -5.869 14.719 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.318 -4.584 14.647 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.840 -4.711 13.208 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.082 -3.484 13.051 1.00 0.00 H new ATOM 636 N GLY A 46 1.359 -7.795 12.343 1.00 0.00 N ATOM 637 CA GLY A 46 0.544 -8.987 12.179 1.00 0.00 C ATOM 638 C GLY A 46 -0.535 -8.770 11.117 1.00 0.00 C ATOM 639 O GLY A 46 -1.713 -9.029 11.362 1.00 0.00 O ATOM 0 H GLY A 46 1.052 -7.168 13.086 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.176 -9.828 11.894 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.077 -9.247 13.129 1.00 0.00 H new ATOM 643 N SER A 47 -0.096 -8.298 9.960 1.00 0.00 N ATOM 644 CA SER A 47 -1.010 -8.043 8.859 1.00 0.00 C ATOM 645 C SER A 47 -0.495 -8.715 7.585 1.00 0.00 C ATOM 646 O SER A 47 0.693 -9.011 7.472 1.00 0.00 O ATOM 647 CB SER A 47 -1.194 -6.542 8.631 1.00 0.00 C ATOM 648 OG SER A 47 0.053 -5.870 8.472 1.00 0.00 O ATOM 0 H SER A 47 0.881 -8.085 9.760 1.00 0.00 H new ATOM 0 HA SER A 47 -1.982 -8.465 9.117 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.808 -6.382 7.744 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.734 -6.111 9.474 1.00 0.00 H new ATOM 0 HG SER A 47 0.711 -6.250 9.091 1.00 0.00 H new ATOM 654 N PRO A 48 -1.439 -8.941 6.632 1.00 0.00 N ATOM 655 CA PRO A 48 -1.092 -9.571 5.370 1.00 0.00 C ATOM 656 C PRO A 48 -0.352 -8.595 4.454 1.00 0.00 C ATOM 657 O PRO A 48 0.548 -8.992 3.715 1.00 0.00 O ATOM 658 CB PRO A 48 -2.415 -10.043 4.789 1.00 0.00 C ATOM 659 CG PRO A 48 -3.494 -9.255 5.515 1.00 0.00 C ATOM 660 CD PRO A 48 -2.856 -8.603 6.731 1.00 0.00 C ATOM 0 HA PRO A 48 -0.405 -10.408 5.493 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.456 -9.863 3.715 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.547 -11.115 4.938 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -3.923 -8.499 4.857 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.309 -9.913 5.818 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -3.007 -7.524 6.726 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -3.290 -8.982 7.657 1.00 0.00 H new ATOM 668 N ALA A 49 -0.758 -7.336 4.533 1.00 0.00 N ATOM 669 CA ALA A 49 -0.144 -6.300 3.720 1.00 0.00 C ATOM 670 C ALA A 49 1.361 -6.268 3.993 1.00 0.00 C ATOM 671 O ALA A 49 2.160 -6.111 3.070 1.00 0.00 O ATOM 672 CB ALA A 49 -0.818 -4.957 4.011 1.00 0.00 C ATOM 0 H ALA A 49 -1.504 -7.010 5.147 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.282 -6.512 2.660 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.358 -4.179 3.401 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.880 -5.024 3.773 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.697 -4.710 5.066 1.00 0.00 H new ATOM 678 N ALA A 50 1.703 -6.420 5.264 1.00 0.00 N ATOM 679 CA ALA A 50 3.098 -6.411 5.670 1.00 0.00 C ATOM 680 C ALA A 50 3.732 -7.761 5.331 1.00 0.00 C ATOM 681 O ALA A 50 4.818 -7.814 4.754 1.00 0.00 O ATOM 682 CB ALA A 50 3.194 -6.079 7.160 1.00 0.00 C ATOM 0 H ALA A 50 1.038 -6.550 6.026 1.00 0.00 H new ATOM 0 HA ALA A 50 3.650 -5.643 5.129 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.241 -6.072 7.465 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.756 -5.098 7.343 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.653 -6.830 7.736 1.00 0.00 H new ATOM 688 N ALA A 51 3.028 -8.820 5.703 1.00 0.00 N ATOM 689 CA ALA A 51 3.508 -10.167 5.446 1.00 0.00 C ATOM 690 C ALA A 51 3.894 -10.293 3.971 1.00 0.00 C ATOM 691 O ALA A 51 4.714 -11.135 3.610 1.00 0.00 O ATOM 692 CB ALA A 51 2.437 -11.178 5.857 1.00 0.00 C ATOM 0 H ALA A 51 2.128 -8.772 6.181 1.00 0.00 H new ATOM 0 HA ALA A 51 4.398 -10.377 6.039 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.797 -12.188 5.664 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.220 -11.067 6.919 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.529 -11.000 5.281 1.00 0.00 H new ATOM 698 N ASP A 52 3.283 -9.443 3.158 1.00 0.00 N ATOM 699 CA ASP A 52 3.552 -9.449 1.730 1.00 0.00 C ATOM 700 C ASP A 52 5.017 -9.079 1.489 1.00 0.00 C ATOM 701 O ASP A 52 5.752 -9.826 0.845 1.00 0.00 O ATOM 702 CB ASP A 52 2.679 -8.425 1.001 1.00 0.00 C ATOM 703 CG ASP A 52 2.443 -8.717 -0.483 1.00 0.00 C ATOM 704 OD1 ASP A 52 1.937 -9.823 -0.770 1.00 0.00 O ATOM 705 OD2 ASP A 52 2.774 -7.827 -1.295 1.00 0.00 O ATOM 0 H ASP A 52 2.603 -8.746 3.461 1.00 0.00 H new ATOM 0 HA ASP A 52 3.332 -10.447 1.350 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.713 -8.370 1.503 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.143 -7.443 1.094 1.00 0.00 H new ATOM 710 N GLY A 53 5.397 -7.926 2.020 1.00 0.00 N ATOM 711 CA GLY A 53 6.761 -7.447 1.871 1.00 0.00 C ATOM 712 C GLY A 53 6.838 -6.326 0.833 1.00 0.00 C ATOM 713 O GLY A 53 7.277 -5.219 1.141 1.00 0.00 O ATOM 0 H GLY A 53 4.784 -7.310 2.554 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.130 -7.085 2.831 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.409 -8.271 1.571 1.00 0.00 H new ATOM 717 N ARG A 54 6.405 -6.652 -0.376 1.00 0.00 N ATOM 718 CA ARG A 54 6.420 -5.686 -1.462 1.00 0.00 C ATOM 719 C ARG A 54 5.926 -4.325 -0.968 1.00 0.00 C ATOM 720 O ARG A 54 6.639 -3.328 -1.068 1.00 0.00 O ATOM 721 CB ARG A 54 5.539 -6.150 -2.624 1.00 0.00 C ATOM 722 CG ARG A 54 6.166 -5.778 -3.969 1.00 0.00 C ATOM 723 CD ARG A 54 6.442 -4.275 -4.049 1.00 0.00 C ATOM 724 NE ARG A 54 6.966 -3.927 -5.388 1.00 0.00 N ATOM 725 CZ ARG A 54 8.232 -4.132 -5.776 1.00 0.00 C ATOM 726 NH1 ARG A 54 9.112 -4.683 -4.929 1.00 0.00 N ATOM 727 NH2 ARG A 54 8.618 -3.784 -7.012 1.00 0.00 N ATOM 0 H ARG A 54 6.042 -7.571 -0.628 1.00 0.00 H new ATOM 0 HA ARG A 54 7.448 -5.598 -1.813 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.399 -7.230 -2.570 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.552 -5.696 -2.541 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.096 -6.330 -4.106 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.499 -6.072 -4.779 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.526 -3.718 -3.852 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.161 -3.988 -3.282 1.00 0.00 H new ATOM 0 HE ARG A 54 6.323 -3.505 -6.058 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.818 -4.947 -3.988 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.076 -4.839 -5.225 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.948 -3.364 -7.656 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.582 -3.940 -7.308 1.00 0.00 H new ATOM 741 N LEU A 55 4.708 -4.327 -0.445 1.00 0.00 N ATOM 742 CA LEU A 55 4.111 -3.105 0.065 1.00 0.00 C ATOM 743 C LEU A 55 5.150 -2.337 0.883 1.00 0.00 C ATOM 744 O LEU A 55 5.571 -2.794 1.945 1.00 0.00 O ATOM 745 CB LEU A 55 2.828 -3.417 0.838 1.00 0.00 C ATOM 746 CG LEU A 55 1.546 -3.497 0.006 1.00 0.00 C ATOM 747 CD1 LEU A 55 1.861 -3.811 -1.458 1.00 0.00 C ATOM 748 CD2 LEU A 55 0.562 -4.501 0.609 1.00 0.00 C ATOM 0 H LEU A 55 4.119 -5.156 -0.364 1.00 0.00 H new ATOM 0 HA LEU A 55 3.810 -2.457 -0.758 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.961 -4.367 1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.694 -2.653 1.603 1.00 0.00 H new ATOM 0 HG LEU A 55 1.063 -2.520 0.029 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.933 -3.862 -2.027 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.496 -3.027 -1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.379 -4.768 -1.522 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.340 -4.538 -0.002 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.022 -5.489 0.637 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.302 -4.192 1.622 1.00 0.00 H new ATOM 760 N SER A 56 5.534 -1.182 0.359 1.00 0.00 N ATOM 761 CA SER A 56 6.517 -0.346 1.028 1.00 0.00 C ATOM 762 C SER A 56 5.868 0.963 1.482 1.00 0.00 C ATOM 763 O SER A 56 4.866 1.393 0.912 1.00 0.00 O ATOM 764 CB SER A 56 7.709 -0.059 0.114 1.00 0.00 C ATOM 765 OG SER A 56 7.319 0.064 -1.251 1.00 0.00 O ATOM 0 H SER A 56 5.182 -0.805 -0.521 1.00 0.00 H new ATOM 0 HA SER A 56 6.886 -0.883 1.902 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.199 0.860 0.435 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.441 -0.861 0.211 1.00 0.00 H new ATOM 0 HG SER A 56 6.872 0.925 -1.387 1.00 0.00 H new ATOM 771 N LEU A 57 6.465 1.560 2.503 1.00 0.00 N ATOM 772 CA LEU A 57 5.958 2.811 3.039 1.00 0.00 C ATOM 773 C LEU A 57 6.094 3.907 1.981 1.00 0.00 C ATOM 774 O LEU A 57 7.162 4.082 1.396 1.00 0.00 O ATOM 775 CB LEU A 57 6.648 3.146 4.363 1.00 0.00 C ATOM 776 CG LEU A 57 6.457 2.133 5.494 1.00 0.00 C ATOM 777 CD1 LEU A 57 6.546 2.814 6.861 1.00 0.00 C ATOM 778 CD2 LEU A 57 5.147 1.361 5.323 1.00 0.00 C ATOM 0 H LEU A 57 7.295 1.200 2.973 1.00 0.00 H new ATOM 0 HA LEU A 57 4.897 2.722 3.272 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.716 3.255 4.176 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.284 4.115 4.705 1.00 0.00 H new ATOM 0 HG LEU A 57 7.268 1.407 5.442 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.407 2.072 7.647 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.525 3.281 6.972 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.770 3.575 6.939 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.036 0.648 6.140 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.310 2.059 5.334 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.161 0.826 4.374 1.00 0.00 H new ATOM 790 N GLY A 58 4.996 4.618 1.766 1.00 0.00 N ATOM 791 CA GLY A 58 4.980 5.692 0.788 1.00 0.00 C ATOM 792 C GLY A 58 4.273 5.254 -0.496 1.00 0.00 C ATOM 793 O GLY A 58 3.761 6.087 -1.243 1.00 0.00 O ATOM 0 H GLY A 58 4.112 4.471 2.253 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.475 6.562 1.207 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.002 5.996 0.559 1.00 0.00 H new ATOM 797 N ASP A 59 4.268 3.947 -0.715 1.00 0.00 N ATOM 798 CA ASP A 59 3.632 3.388 -1.896 1.00 0.00 C ATOM 799 C ASP A 59 2.320 4.128 -2.162 1.00 0.00 C ATOM 800 O ASP A 59 1.730 4.702 -1.247 1.00 0.00 O ATOM 801 CB ASP A 59 3.308 1.906 -1.697 1.00 0.00 C ATOM 802 CG ASP A 59 4.471 0.948 -1.960 1.00 0.00 C ATOM 803 OD1 ASP A 59 5.562 1.459 -2.296 1.00 0.00 O ATOM 804 OD2 ASP A 59 4.244 -0.273 -1.820 1.00 0.00 O ATOM 0 H ASP A 59 4.694 3.259 -0.094 1.00 0.00 H new ATOM 0 HA ASP A 59 4.321 3.497 -2.734 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.961 1.760 -0.674 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.481 1.639 -2.355 1.00 0.00 H new ATOM 809 N ARG A 60 1.901 4.090 -3.418 1.00 0.00 N ATOM 810 CA ARG A 60 0.669 4.750 -3.816 1.00 0.00 C ATOM 811 C ARG A 60 -0.292 3.743 -4.451 1.00 0.00 C ATOM 812 O ARG A 60 0.065 3.059 -5.409 1.00 0.00 O ATOM 813 CB ARG A 60 0.945 5.879 -4.811 1.00 0.00 C ATOM 814 CG ARG A 60 -0.334 6.657 -5.127 1.00 0.00 C ATOM 815 CD ARG A 60 -0.224 7.368 -6.477 1.00 0.00 C ATOM 816 NE ARG A 60 -1.198 8.480 -6.545 1.00 0.00 N ATOM 817 CZ ARG A 60 -1.564 9.091 -7.680 1.00 0.00 C ATOM 818 NH1 ARG A 60 -1.037 8.702 -8.849 1.00 0.00 N ATOM 819 NH2 ARG A 60 -2.455 10.091 -7.646 1.00 0.00 N ATOM 0 H ARG A 60 2.393 3.613 -4.174 1.00 0.00 H new ATOM 0 HA ARG A 60 0.216 5.174 -2.920 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.694 6.556 -4.400 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.359 5.465 -5.730 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.185 5.976 -5.139 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.523 7.388 -4.341 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.787 7.751 -6.614 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.410 6.661 -7.286 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.617 8.802 -5.673 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.358 7.941 -8.874 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.315 9.166 -9.713 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.855 10.388 -6.756 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.733 10.556 -8.510 1.00 0.00 H new ATOM 833 N ILE A 61 -1.491 3.684 -3.892 1.00 0.00 N ATOM 834 CA ILE A 61 -2.506 2.771 -4.392 1.00 0.00 C ATOM 835 C ILE A 61 -3.144 3.365 -5.650 1.00 0.00 C ATOM 836 O ILE A 61 -3.150 4.581 -5.833 1.00 0.00 O ATOM 837 CB ILE A 61 -3.514 2.436 -3.292 1.00 0.00 C ATOM 838 CG1 ILE A 61 -2.804 2.146 -1.968 1.00 0.00 C ATOM 839 CG2 ILE A 61 -4.427 1.284 -3.717 1.00 0.00 C ATOM 840 CD1 ILE A 61 -1.975 0.864 -2.059 1.00 0.00 C ATOM 0 H ILE A 61 -1.783 4.253 -3.098 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.056 1.821 -4.680 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.149 3.308 -3.133 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.157 2.984 -1.707 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.540 2.051 -1.170 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.134 1.066 -2.917 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.973 1.566 -4.617 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.825 0.398 -3.920 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.481 0.682 -1.105 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.628 0.024 -2.296 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.224 0.971 -2.842 1.00 0.00 H new ATOM 852 N LEU A 62 -3.664 2.478 -6.486 1.00 0.00 N ATOM 853 CA LEU A 62 -4.303 2.898 -7.721 1.00 0.00 C ATOM 854 C LEU A 62 -5.690 2.261 -7.816 1.00 0.00 C ATOM 855 O LEU A 62 -6.667 2.936 -8.135 1.00 0.00 O ATOM 856 CB LEU A 62 -3.403 2.593 -8.920 1.00 0.00 C ATOM 857 CG LEU A 62 -1.948 3.052 -8.802 1.00 0.00 C ATOM 858 CD1 LEU A 62 -1.134 2.614 -10.020 1.00 0.00 C ATOM 859 CD2 LEU A 62 -1.867 4.563 -8.571 1.00 0.00 C ATOM 0 H LEU A 62 -3.656 1.470 -6.332 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.448 3.978 -7.726 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.411 1.516 -9.090 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.839 3.058 -9.804 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.507 2.569 -7.930 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.104 2.953 -9.910 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.152 1.527 -10.098 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.565 3.049 -10.921 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.822 4.863 -8.491 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.331 5.084 -9.408 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.390 4.819 -7.649 1.00 0.00 H new ATOM 871 N GLU A 63 -5.733 0.967 -7.532 1.00 0.00 N ATOM 872 CA GLU A 63 -6.985 0.231 -7.580 1.00 0.00 C ATOM 873 C GLU A 63 -7.181 -0.569 -6.291 1.00 0.00 C ATOM 874 O GLU A 63 -6.223 -0.819 -5.560 1.00 0.00 O ATOM 875 CB GLU A 63 -7.036 -0.683 -8.806 1.00 0.00 C ATOM 876 CG GLU A 63 -7.406 0.107 -10.063 1.00 0.00 C ATOM 877 CD GLU A 63 -7.051 -0.678 -11.328 1.00 0.00 C ATOM 878 OE1 GLU A 63 -7.209 -1.918 -11.290 1.00 0.00 O ATOM 879 OE2 GLU A 63 -6.630 -0.021 -12.304 1.00 0.00 O ATOM 0 H GLU A 63 -4.921 0.410 -7.268 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.802 0.947 -7.667 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.068 -1.164 -8.946 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.765 -1.476 -8.643 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.473 0.329 -10.056 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.881 1.062 -10.064 1.00 0.00 H new ATOM 886 N VAL A 64 -8.427 -0.948 -6.051 1.00 0.00 N ATOM 887 CA VAL A 64 -8.761 -1.715 -4.863 1.00 0.00 C ATOM 888 C VAL A 64 -9.871 -2.712 -5.200 1.00 0.00 C ATOM 889 O VAL A 64 -11.021 -2.322 -5.399 1.00 0.00 O ATOM 890 CB VAL A 64 -9.132 -0.771 -3.718 1.00 0.00 C ATOM 891 CG1 VAL A 64 -10.197 -1.396 -2.815 1.00 0.00 C ATOM 892 CG2 VAL A 64 -7.894 -0.373 -2.912 1.00 0.00 C ATOM 0 H VAL A 64 -9.218 -0.738 -6.659 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.899 -2.291 -4.525 1.00 0.00 H new ATOM 0 HB VAL A 64 -9.553 0.135 -4.154 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.442 -0.704 -2.009 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.093 -1.605 -3.400 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -9.815 -2.325 -2.392 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.186 0.298 -2.104 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.431 -1.266 -2.492 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.182 0.133 -3.564 1.00 0.00 H new ATOM 902 N ASN A 65 -9.489 -3.979 -5.253 1.00 0.00 N ATOM 903 CA ASN A 65 -10.438 -5.035 -5.562 1.00 0.00 C ATOM 904 C ASN A 65 -11.063 -4.768 -6.933 1.00 0.00 C ATOM 905 O ASN A 65 -12.248 -5.027 -7.140 1.00 0.00 O ATOM 906 CB ASN A 65 -11.566 -5.082 -4.529 1.00 0.00 C ATOM 907 CG ASN A 65 -11.204 -6.003 -3.362 1.00 0.00 C ATOM 908 OD1 ASN A 65 -10.525 -7.005 -3.516 1.00 0.00 O ATOM 909 ND2 ASN A 65 -11.694 -5.609 -2.190 1.00 0.00 N ATOM 0 H ASN A 65 -8.535 -4.299 -5.087 1.00 0.00 H new ATOM 0 HA ASN A 65 -9.901 -5.984 -5.553 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -11.764 -4.077 -4.156 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -12.483 -5.433 -5.003 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -11.508 -6.156 -1.350 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -12.255 -4.759 -2.132 1.00 0.00 H new ATOM 916 N GLY A 66 -10.238 -4.254 -7.833 1.00 0.00 N ATOM 917 CA GLY A 66 -10.695 -3.949 -9.178 1.00 0.00 C ATOM 918 C GLY A 66 -11.592 -2.710 -9.185 1.00 0.00 C ATOM 919 O GLY A 66 -12.482 -2.588 -10.026 1.00 0.00 O ATOM 0 H GLY A 66 -9.256 -4.041 -7.657 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.836 -3.784 -9.829 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.242 -4.801 -9.582 1.00 0.00 H new ATOM 923 N SER A 67 -11.328 -1.822 -8.237 1.00 0.00 N ATOM 924 CA SER A 67 -12.101 -0.597 -8.124 1.00 0.00 C ATOM 925 C SER A 67 -11.189 0.616 -8.317 1.00 0.00 C ATOM 926 O SER A 67 -10.403 0.954 -7.433 1.00 0.00 O ATOM 927 CB SER A 67 -12.811 -0.517 -6.771 1.00 0.00 C ATOM 928 OG SER A 67 -14.088 0.106 -6.874 1.00 0.00 O ATOM 0 H SER A 67 -10.590 -1.927 -7.541 1.00 0.00 H new ATOM 0 HA SER A 67 -12.862 -0.599 -8.904 1.00 0.00 H new ATOM 0 HB2 SER A 67 -12.929 -1.521 -6.364 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.191 0.041 -6.069 1.00 0.00 H new ATOM 0 HG SER A 67 -14.369 0.425 -5.991 1.00 0.00 H new ATOM 934 N SER A 68 -11.325 1.239 -9.479 1.00 0.00 N ATOM 935 CA SER A 68 -10.523 2.408 -9.799 1.00 0.00 C ATOM 936 C SER A 68 -10.632 3.441 -8.677 1.00 0.00 C ATOM 937 O SER A 68 -11.733 3.845 -8.305 1.00 0.00 O ATOM 938 CB SER A 68 -10.955 3.023 -11.132 1.00 0.00 C ATOM 939 OG SER A 68 -10.332 4.283 -11.365 1.00 0.00 O ATOM 0 H SER A 68 -11.978 0.956 -10.210 1.00 0.00 H new ATOM 0 HA SER A 68 -9.483 2.094 -9.894 1.00 0.00 H new ATOM 0 HB2 SER A 68 -10.706 2.340 -11.944 1.00 0.00 H new ATOM 0 HB3 SER A 68 -12.038 3.147 -11.140 1.00 0.00 H new ATOM 0 HG SER A 68 -10.632 4.642 -12.226 1.00 0.00 H new ATOM 945 N LEU A 69 -9.475 3.840 -8.168 1.00 0.00 N ATOM 946 CA LEU A 69 -9.427 4.818 -7.095 1.00 0.00 C ATOM 947 C LEU A 69 -8.983 6.169 -7.662 1.00 0.00 C ATOM 948 O LEU A 69 -8.111 6.826 -7.097 1.00 0.00 O ATOM 949 CB LEU A 69 -8.548 4.314 -5.949 1.00 0.00 C ATOM 950 CG LEU A 69 -9.085 4.556 -4.536 1.00 0.00 C ATOM 951 CD1 LEU A 69 -9.071 6.046 -4.192 1.00 0.00 C ATOM 952 CD2 LEU A 69 -10.475 3.940 -4.365 1.00 0.00 C ATOM 0 H LEU A 69 -8.564 3.503 -8.479 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.419 4.961 -6.666 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.394 3.243 -6.079 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.570 4.789 -6.031 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.423 4.057 -3.828 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.457 6.190 -3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.050 6.422 -4.247 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.696 6.589 -4.901 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.833 4.126 -3.353 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.163 4.389 -5.082 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.421 2.865 -4.539 1.00 0.00 H new ATOM 964 N LEU A 70 -9.604 6.542 -8.771 1.00 0.00 N ATOM 965 CA LEU A 70 -9.284 7.801 -9.421 1.00 0.00 C ATOM 966 C LEU A 70 -10.434 8.788 -9.205 1.00 0.00 C ATOM 967 O LEU A 70 -11.323 8.904 -10.047 1.00 0.00 O ATOM 968 CB LEU A 70 -8.938 7.572 -10.893 1.00 0.00 C ATOM 969 CG LEU A 70 -7.591 6.903 -11.169 1.00 0.00 C ATOM 970 CD1 LEU A 70 -7.461 6.518 -12.644 1.00 0.00 C ATOM 971 CD2 LEU A 70 -6.433 7.789 -10.705 1.00 0.00 C ATOM 0 H LEU A 70 -10.328 5.994 -9.236 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.394 8.245 -8.975 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.723 6.961 -11.339 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.954 8.535 -11.404 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.544 5.981 -10.590 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.494 6.044 -12.813 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.257 5.823 -12.910 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.539 7.413 -13.262 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.487 7.290 -10.913 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.466 8.740 -11.237 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.520 7.970 -9.634 1.00 0.00 H new ATOM 983 N GLY A 71 -10.379 9.473 -8.072 1.00 0.00 N ATOM 984 CA GLY A 71 -11.405 10.445 -7.736 1.00 0.00 C ATOM 985 C GLY A 71 -12.209 9.993 -6.515 1.00 0.00 C ATOM 986 O GLY A 71 -12.844 10.809 -5.849 1.00 0.00 O ATOM 0 H GLY A 71 -9.640 9.374 -7.376 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.943 11.412 -7.534 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -12.074 10.582 -8.586 1.00 0.00 H new ATOM 990 N LEU A 72 -12.157 8.694 -6.260 1.00 0.00 N ATOM 991 CA LEU A 72 -12.873 8.124 -5.131 1.00 0.00 C ATOM 992 C LEU A 72 -12.371 8.767 -3.837 1.00 0.00 C ATOM 993 O LEU A 72 -11.199 8.636 -3.488 1.00 0.00 O ATOM 994 CB LEU A 72 -12.763 6.598 -5.143 1.00 0.00 C ATOM 995 CG LEU A 72 -13.867 5.852 -5.895 1.00 0.00 C ATOM 996 CD1 LEU A 72 -13.753 4.341 -5.678 1.00 0.00 C ATOM 997 CD2 LEU A 72 -15.248 6.384 -5.510 1.00 0.00 C ATOM 0 H LEU A 72 -11.630 8.020 -6.816 1.00 0.00 H new ATOM 0 HA LEU A 72 -13.938 8.344 -5.204 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -11.803 6.326 -5.583 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -12.752 6.246 -4.111 1.00 0.00 H new ATOM 0 HG LEU A 72 -13.738 6.035 -6.962 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -14.549 3.834 -6.223 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -12.786 3.993 -6.041 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -13.842 4.118 -4.615 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -16.015 5.837 -6.059 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -15.404 6.251 -4.439 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -15.312 7.444 -5.757 1.00 0.00 H new ATOM 1009 N GLY A 73 -13.284 9.449 -3.160 1.00 0.00 N ATOM 1010 CA GLY A 73 -12.949 10.113 -1.912 1.00 0.00 C ATOM 1011 C GLY A 73 -12.248 9.151 -0.950 1.00 0.00 C ATOM 1012 O GLY A 73 -12.592 7.972 -0.886 1.00 0.00 O ATOM 0 H GLY A 73 -14.255 9.556 -3.453 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.303 10.968 -2.113 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.856 10.501 -1.448 1.00 0.00 H new ATOM 1016 N TYR A 74 -11.278 9.690 -0.227 1.00 0.00 N ATOM 1017 CA TYR A 74 -10.525 8.895 0.728 1.00 0.00 C ATOM 1018 C TYR A 74 -11.442 7.925 1.477 1.00 0.00 C ATOM 1019 O TYR A 74 -11.127 6.744 1.609 1.00 0.00 O ATOM 1020 CB TYR A 74 -9.928 9.888 1.727 1.00 0.00 C ATOM 1021 CG TYR A 74 -9.507 9.257 3.055 1.00 0.00 C ATOM 1022 CD1 TYR A 74 -10.442 9.056 4.050 1.00 0.00 C ATOM 1023 CD2 TYR A 74 -8.193 8.890 3.259 1.00 0.00 C ATOM 1024 CE1 TYR A 74 -10.046 8.462 5.301 1.00 0.00 C ATOM 1025 CE2 TYR A 74 -7.797 8.296 4.510 1.00 0.00 C ATOM 1026 CZ TYR A 74 -8.743 8.112 5.469 1.00 0.00 C ATOM 1027 OH TYR A 74 -8.369 7.551 6.650 1.00 0.00 O ATOM 0 H TYR A 74 -10.996 10.669 -0.283 1.00 0.00 H new ATOM 0 HA TYR A 74 -9.762 8.305 0.219 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -9.061 10.367 1.273 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -10.659 10.672 1.925 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -11.471 9.344 3.891 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -7.461 9.048 2.481 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -10.768 8.298 6.088 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -6.772 8.003 4.682 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.410 7.351 6.628 1.00 0.00 H new ATOM 1037 N LEU A 75 -12.559 8.461 1.947 1.00 0.00 N ATOM 1038 CA LEU A 75 -13.523 7.659 2.680 1.00 0.00 C ATOM 1039 C LEU A 75 -13.999 6.506 1.793 1.00 0.00 C ATOM 1040 O LEU A 75 -13.921 5.343 2.186 1.00 0.00 O ATOM 1041 CB LEU A 75 -14.659 8.537 3.209 1.00 0.00 C ATOM 1042 CG LEU A 75 -14.423 9.190 4.572 1.00 0.00 C ATOM 1043 CD1 LEU A 75 -15.421 10.324 4.817 1.00 0.00 C ATOM 1044 CD2 LEU A 75 -14.452 8.149 5.692 1.00 0.00 C ATOM 0 H LEU A 75 -12.818 9.441 1.834 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.058 7.215 3.560 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -14.853 9.324 2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -15.562 7.930 3.271 1.00 0.00 H new ATOM 0 HG LEU A 75 -13.427 9.632 4.570 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -15.231 10.771 5.793 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -15.308 11.082 4.042 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -16.436 9.927 4.791 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.282 8.640 6.650 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -15.424 7.656 5.705 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.671 7.408 5.520 1.00 0.00 H new ATOM 1056 N ARG A 76 -14.481 6.869 0.613 1.00 0.00 N ATOM 1057 CA ARG A 76 -14.969 5.880 -0.332 1.00 0.00 C ATOM 1058 C ARG A 76 -13.937 4.765 -0.514 1.00 0.00 C ATOM 1059 O ARG A 76 -14.277 3.584 -0.455 1.00 0.00 O ATOM 1060 CB ARG A 76 -15.267 6.516 -1.691 1.00 0.00 C ATOM 1061 CG ARG A 76 -16.774 6.603 -1.938 1.00 0.00 C ATOM 1062 CD ARG A 76 -17.377 5.212 -2.142 1.00 0.00 C ATOM 1063 NE ARG A 76 -18.778 5.330 -2.605 1.00 0.00 N ATOM 1064 CZ ARG A 76 -19.637 4.304 -2.669 1.00 0.00 C ATOM 1065 NH1 ARG A 76 -19.244 3.077 -2.300 1.00 0.00 N ATOM 1066 NH2 ARG A 76 -20.890 4.504 -3.101 1.00 0.00 N ATOM 0 H ARG A 76 -14.544 7.835 0.290 1.00 0.00 H new ATOM 0 HA ARG A 76 -15.892 5.464 0.072 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -14.830 7.514 -1.733 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -14.799 5.929 -2.481 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -17.257 7.092 -1.092 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -16.967 7.219 -2.816 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -16.790 4.656 -2.872 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -17.340 4.650 -1.209 1.00 0.00 H new ATOM 0 HE ARG A 76 -19.110 6.250 -2.893 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -18.291 2.924 -1.970 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -19.898 2.296 -2.349 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -21.190 5.438 -3.381 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -21.544 3.722 -3.150 1.00 0.00 H new ATOM 1080 N ALA A 77 -12.698 5.179 -0.731 1.00 0.00 N ATOM 1081 CA ALA A 77 -11.614 4.230 -0.921 1.00 0.00 C ATOM 1082 C ALA A 77 -11.478 3.359 0.330 1.00 0.00 C ATOM 1083 O ALA A 77 -11.484 2.133 0.240 1.00 0.00 O ATOM 1084 CB ALA A 77 -10.325 4.986 -1.248 1.00 0.00 C ATOM 0 H ALA A 77 -12.420 6.159 -0.780 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.826 3.569 -1.761 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.512 4.274 -1.390 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -10.464 5.565 -2.161 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.079 5.658 -0.426 1.00 0.00 H new ATOM 1090 N VAL A 78 -11.360 4.028 1.467 1.00 0.00 N ATOM 1091 CA VAL A 78 -11.223 3.331 2.735 1.00 0.00 C ATOM 1092 C VAL A 78 -12.370 2.330 2.887 1.00 0.00 C ATOM 1093 O VAL A 78 -12.159 1.201 3.329 1.00 0.00 O ATOM 1094 CB VAL A 78 -11.154 4.340 3.882 1.00 0.00 C ATOM 1095 CG1 VAL A 78 -10.873 3.639 5.213 1.00 0.00 C ATOM 1096 CG2 VAL A 78 -10.108 5.421 3.600 1.00 0.00 C ATOM 0 H VAL A 78 -11.356 5.046 1.537 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.292 2.765 2.762 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.126 4.827 3.958 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.829 4.379 6.012 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.669 2.925 5.423 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.920 3.113 5.153 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.080 6.125 4.431 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -9.128 4.958 3.483 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -10.370 5.951 2.684 1.00 0.00 H new ATOM 1106 N ASP A 79 -13.559 2.778 2.513 1.00 0.00 N ATOM 1107 CA ASP A 79 -14.739 1.936 2.602 1.00 0.00 C ATOM 1108 C ASP A 79 -14.525 0.675 1.763 1.00 0.00 C ATOM 1109 O ASP A 79 -14.724 -0.438 2.246 1.00 0.00 O ATOM 1110 CB ASP A 79 -15.975 2.659 2.063 1.00 0.00 C ATOM 1111 CG ASP A 79 -17.300 2.241 2.704 1.00 0.00 C ATOM 1112 OD1 ASP A 79 -17.582 2.753 3.809 1.00 0.00 O ATOM 1113 OD2 ASP A 79 -18.000 1.419 2.074 1.00 0.00 O ATOM 0 H ASP A 79 -13.731 3.715 2.147 1.00 0.00 H new ATOM 0 HA ASP A 79 -14.897 1.687 3.651 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.842 3.731 2.207 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.038 2.487 0.989 1.00 0.00 H new ATOM 1118 N LEU A 80 -14.124 0.892 0.519 1.00 0.00 N ATOM 1119 CA LEU A 80 -13.881 -0.213 -0.393 1.00 0.00 C ATOM 1120 C LEU A 80 -13.054 -1.285 0.320 1.00 0.00 C ATOM 1121 O LEU A 80 -13.491 -2.427 0.450 1.00 0.00 O ATOM 1122 CB LEU A 80 -13.245 0.292 -1.690 1.00 0.00 C ATOM 1123 CG LEU A 80 -14.206 0.894 -2.717 1.00 0.00 C ATOM 1124 CD1 LEU A 80 -13.461 1.805 -3.695 1.00 0.00 C ATOM 1125 CD2 LEU A 80 -14.992 -0.201 -3.440 1.00 0.00 C ATOM 0 H LEU A 80 -13.961 1.817 0.121 1.00 0.00 H new ATOM 0 HA LEU A 80 -14.822 -0.678 -0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -12.498 1.044 -1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -12.716 -0.538 -2.159 1.00 0.00 H new ATOM 0 HG LEU A 80 -14.930 1.513 -2.187 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -14.166 2.220 -4.415 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -12.984 2.616 -3.145 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -12.701 1.228 -4.223 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -15.668 0.254 -4.164 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -14.299 -0.865 -3.957 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -15.570 -0.773 -2.714 1.00 0.00 H new ATOM 1137 N ILE A 81 -11.873 -0.878 0.764 1.00 0.00 N ATOM 1138 CA ILE A 81 -10.982 -1.790 1.461 1.00 0.00 C ATOM 1139 C ILE A 81 -11.684 -2.330 2.708 1.00 0.00 C ATOM 1140 O ILE A 81 -11.606 -3.522 3.002 1.00 0.00 O ATOM 1141 CB ILE A 81 -9.643 -1.109 1.755 1.00 0.00 C ATOM 1142 CG1 ILE A 81 -8.835 -0.911 0.471 1.00 0.00 C ATOM 1143 CG2 ILE A 81 -8.856 -1.883 2.814 1.00 0.00 C ATOM 1144 CD1 ILE A 81 -8.882 0.549 0.013 1.00 0.00 C ATOM 0 H ILE A 81 -11.513 0.070 0.655 1.00 0.00 H new ATOM 0 HA ILE A 81 -10.747 -2.648 0.832 1.00 0.00 H new ATOM 0 HB ILE A 81 -9.845 -0.119 2.164 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.800 -1.210 0.638 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.230 -1.555 -0.315 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -7.909 -1.378 3.005 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -9.435 -1.929 3.736 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.663 -2.894 2.457 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.300 0.662 -0.901 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.916 0.838 -0.177 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -8.464 1.188 0.791 1.00 0.00 H new ATOM 1156 N ARG A 82 -12.354 -1.427 3.408 1.00 0.00 N ATOM 1157 CA ARG A 82 -13.070 -1.798 4.617 1.00 0.00 C ATOM 1158 C ARG A 82 -14.053 -2.933 4.325 1.00 0.00 C ATOM 1159 O ARG A 82 -13.993 -3.988 4.955 1.00 0.00 O ATOM 1160 CB ARG A 82 -13.836 -0.604 5.192 1.00 0.00 C ATOM 1161 CG ARG A 82 -12.887 0.374 5.886 1.00 0.00 C ATOM 1162 CD ARG A 82 -13.261 0.549 7.359 1.00 0.00 C ATOM 1163 NE ARG A 82 -12.306 1.468 8.018 1.00 0.00 N ATOM 1164 CZ ARG A 82 -12.377 1.827 9.308 1.00 0.00 C ATOM 1165 NH1 ARG A 82 -13.357 1.346 10.084 1.00 0.00 N ATOM 1166 NH2 ARG A 82 -11.467 2.666 9.820 1.00 0.00 N ATOM 0 H ARG A 82 -12.416 -0.439 3.161 1.00 0.00 H new ATOM 0 HA ARG A 82 -12.334 -2.130 5.349 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -14.371 -0.092 4.392 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -14.585 -0.956 5.902 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -11.863 0.010 5.808 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -12.921 1.339 5.381 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -14.274 0.944 7.441 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -13.254 -0.418 7.862 1.00 0.00 H new ATOM 0 HE ARG A 82 -11.547 1.852 7.456 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -14.049 0.707 9.694 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -13.411 1.619 11.065 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -10.721 3.031 9.229 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -11.521 2.939 10.801 1.00 0.00 H new ATOM 1180 N HIS A 83 -14.935 -2.678 3.370 1.00 0.00 N ATOM 1181 CA HIS A 83 -15.929 -3.666 2.986 1.00 0.00 C ATOM 1182 C HIS A 83 -15.384 -4.527 1.845 1.00 0.00 C ATOM 1183 O HIS A 83 -16.130 -4.930 0.955 1.00 0.00 O ATOM 1184 CB HIS A 83 -17.258 -2.992 2.637 1.00 0.00 C ATOM 1185 CG HIS A 83 -17.780 -2.071 3.714 1.00 0.00 C ATOM 1186 ND1 HIS A 83 -17.729 -0.692 3.610 1.00 0.00 N ATOM 1187 CD2 HIS A 83 -18.366 -2.346 4.915 1.00 0.00 C ATOM 1188 CE1 HIS A 83 -18.261 -0.170 4.706 1.00 0.00 C ATOM 1189 NE2 HIS A 83 -18.655 -1.197 5.513 1.00 0.00 N ATOM 0 H HIS A 83 -14.982 -1.801 2.851 1.00 0.00 H new ATOM 0 HA HIS A 83 -16.133 -4.327 3.828 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -17.134 -2.423 1.715 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -18.003 -3.762 2.439 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -17.347 -0.167 2.824 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -18.561 -3.331 5.312 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -18.364 0.883 4.922 1.00 0.00 H new ATOM 1197 N GLY A 84 -14.086 -4.785 1.909 1.00 0.00 N ATOM 1198 CA GLY A 84 -13.431 -5.591 0.893 1.00 0.00 C ATOM 1199 C GLY A 84 -14.010 -7.007 0.860 1.00 0.00 C ATOM 1200 O GLY A 84 -15.208 -7.197 1.064 1.00 0.00 O ATOM 0 H GLY A 84 -13.470 -4.450 2.649 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.553 -5.122 -0.083 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.361 -5.636 1.094 1.00 0.00 H new ATOM 1204 N GLY A 85 -13.131 -7.965 0.601 1.00 0.00 N ATOM 1205 CA GLY A 85 -13.540 -9.358 0.539 1.00 0.00 C ATOM 1206 C GLY A 85 -12.390 -10.284 0.940 1.00 0.00 C ATOM 1207 O GLY A 85 -11.287 -9.823 1.227 1.00 0.00 O ATOM 0 H GLY A 85 -12.138 -7.804 0.432 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -14.391 -9.521 1.201 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -13.871 -9.599 -0.471 1.00 0.00 H new ATOM 1211 N LYS A 86 -12.689 -11.575 0.948 1.00 0.00 N ATOM 1212 CA LYS A 86 -11.694 -12.571 1.309 1.00 0.00 C ATOM 1213 C LYS A 86 -10.415 -12.322 0.508 1.00 0.00 C ATOM 1214 O LYS A 86 -9.312 -12.518 1.016 1.00 0.00 O ATOM 1215 CB LYS A 86 -12.262 -13.982 1.139 1.00 0.00 C ATOM 1216 CG LYS A 86 -11.190 -15.040 1.406 1.00 0.00 C ATOM 1217 CD LYS A 86 -11.369 -15.665 2.791 1.00 0.00 C ATOM 1218 CE LYS A 86 -11.242 -17.188 2.726 1.00 0.00 C ATOM 1219 NZ LYS A 86 -10.851 -17.733 4.045 1.00 0.00 N ATOM 0 H LYS A 86 -13.606 -11.954 0.710 1.00 0.00 H new ATOM 0 HA LYS A 86 -11.432 -12.483 2.363 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.098 -14.126 1.823 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.652 -14.102 0.128 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.243 -15.817 0.643 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.201 -14.587 1.332 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.621 -15.263 3.475 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.346 -15.395 3.192 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.190 -17.625 2.412 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.500 -17.465 1.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.769 -18.768 3.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.935 -17.330 4.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.573 -17.485 4.751 1.00 0.00 H new ATOM 1233 N LYS A 87 -10.605 -11.895 -0.732 1.00 0.00 N ATOM 1234 CA LYS A 87 -9.480 -11.617 -1.609 1.00 0.00 C ATOM 1235 C LYS A 87 -9.418 -10.115 -1.891 1.00 0.00 C ATOM 1236 O LYS A 87 -10.284 -9.571 -2.574 1.00 0.00 O ATOM 1237 CB LYS A 87 -9.560 -12.477 -2.871 1.00 0.00 C ATOM 1238 CG LYS A 87 -8.663 -13.711 -2.752 1.00 0.00 C ATOM 1239 CD LYS A 87 -9.018 -14.752 -3.816 1.00 0.00 C ATOM 1240 CE LYS A 87 -9.068 -16.157 -3.212 1.00 0.00 C ATOM 1241 NZ LYS A 87 -9.048 -17.181 -4.281 1.00 0.00 N ATOM 0 H LYS A 87 -11.521 -11.735 -1.150 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.542 -11.889 -1.124 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -10.591 -12.788 -3.039 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.260 -11.887 -3.737 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.619 -13.418 -2.859 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.771 -14.149 -1.760 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.983 -14.509 -4.260 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.281 -14.723 -4.619 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.219 -16.303 -2.544 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.970 -16.269 -2.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.082 -18.129 -3.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.872 -17.051 -4.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.175 -17.084 -4.839 1.00 0.00 H new ATOM 1255 N MET A 88 -8.384 -9.486 -1.351 1.00 0.00 N ATOM 1256 CA MET A 88 -8.197 -8.057 -1.536 1.00 0.00 C ATOM 1257 C MET A 88 -7.104 -7.776 -2.569 1.00 0.00 C ATOM 1258 O MET A 88 -5.967 -8.218 -2.411 1.00 0.00 O ATOM 1259 CB MET A 88 -7.815 -7.415 -0.201 1.00 0.00 C ATOM 1260 CG MET A 88 -9.003 -7.407 0.764 1.00 0.00 C ATOM 1261 SD MET A 88 -9.322 -5.743 1.325 1.00 0.00 S ATOM 1262 CE MET A 88 -9.701 -4.957 -0.232 1.00 0.00 C ATOM 0 H MET A 88 -7.667 -9.940 -0.785 1.00 0.00 H new ATOM 0 HA MET A 88 -9.132 -7.631 -1.900 1.00 0.00 H new ATOM 0 HB2 MET A 88 -6.984 -7.961 0.245 1.00 0.00 H new ATOM 0 HB3 MET A 88 -7.472 -6.394 -0.369 1.00 0.00 H new ATOM 0 HG2 MET A 88 -9.887 -7.808 0.269 1.00 0.00 H new ATOM 0 HG3 MET A 88 -8.794 -8.053 1.616 1.00 0.00 H new ATOM 0 HE1 MET A 88 -9.099 -4.054 -0.340 1.00 0.00 H new ATOM 0 HE2 MET A 88 -9.477 -5.642 -1.050 1.00 0.00 H new ATOM 0 HE3 MET A 88 -10.758 -4.694 -0.259 1.00 0.00 H new ATOM 1272 N ARG A 89 -7.487 -7.043 -3.604 1.00 0.00 N ATOM 1273 CA ARG A 89 -6.554 -6.698 -4.663 1.00 0.00 C ATOM 1274 C ARG A 89 -6.258 -5.197 -4.642 1.00 0.00 C ATOM 1275 O ARG A 89 -7.163 -4.386 -4.451 1.00 0.00 O ATOM 1276 CB ARG A 89 -7.111 -7.082 -6.035 1.00 0.00 C ATOM 1277 CG ARG A 89 -6.760 -8.530 -6.384 1.00 0.00 C ATOM 1278 CD ARG A 89 -7.588 -9.024 -7.572 1.00 0.00 C ATOM 1279 NE ARG A 89 -8.093 -10.389 -7.304 1.00 0.00 N ATOM 1280 CZ ARG A 89 -8.995 -11.019 -8.069 1.00 0.00 C ATOM 1281 NH1 ARG A 89 -9.497 -10.412 -9.153 1.00 0.00 N ATOM 1282 NH2 ARG A 89 -9.396 -12.258 -7.749 1.00 0.00 N ATOM 0 H ARG A 89 -8.431 -6.678 -3.732 1.00 0.00 H new ATOM 0 HA ARG A 89 -5.634 -7.256 -4.488 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -8.194 -6.955 -6.040 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -6.708 -6.413 -6.795 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -5.698 -8.604 -6.620 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -6.939 -9.170 -5.520 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -8.423 -8.347 -7.750 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -6.979 -9.024 -8.476 1.00 0.00 H new ATOM 0 HE ARG A 89 -7.732 -10.881 -6.486 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -9.193 -9.469 -9.397 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -10.184 -10.893 -9.735 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -9.014 -12.720 -6.924 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -10.083 -12.738 -8.331 1.00 0.00 H new ATOM 1296 N PHE A 90 -4.989 -4.874 -4.841 1.00 0.00 N ATOM 1297 CA PHE A 90 -4.563 -3.485 -4.848 1.00 0.00 C ATOM 1298 C PHE A 90 -3.540 -3.230 -5.956 1.00 0.00 C ATOM 1299 O PHE A 90 -2.639 -4.040 -6.173 1.00 0.00 O ATOM 1300 CB PHE A 90 -3.908 -3.211 -3.493 1.00 0.00 C ATOM 1301 CG PHE A 90 -4.780 -3.587 -2.293 1.00 0.00 C ATOM 1302 CD1 PHE A 90 -5.934 -2.910 -2.052 1.00 0.00 C ATOM 1303 CD2 PHE A 90 -4.400 -4.599 -1.467 1.00 0.00 C ATOM 1304 CE1 PHE A 90 -6.743 -3.258 -0.939 1.00 0.00 C ATOM 1305 CE2 PHE A 90 -5.209 -4.948 -0.353 1.00 0.00 C ATOM 1306 CZ PHE A 90 -6.364 -4.270 -0.113 1.00 0.00 C ATOM 0 H PHE A 90 -4.242 -5.550 -4.999 1.00 0.00 H new ATOM 0 HA PHE A 90 -5.420 -2.835 -5.025 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -2.971 -3.764 -3.436 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.657 -2.152 -3.430 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.235 -2.107 -2.708 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.483 -5.137 -1.658 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -7.659 -2.719 -0.748 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.908 -5.751 0.303 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.980 -4.535 0.733 1.00 0.00 H new ATOM 1316 N LEU A 91 -3.712 -2.102 -6.629 1.00 0.00 N ATOM 1317 CA LEU A 91 -2.815 -1.730 -7.710 1.00 0.00 C ATOM 1318 C LEU A 91 -1.947 -0.551 -7.265 1.00 0.00 C ATOM 1319 O LEU A 91 -2.341 0.605 -7.413 1.00 0.00 O ATOM 1320 CB LEU A 91 -3.604 -1.463 -8.993 1.00 0.00 C ATOM 1321 CG LEU A 91 -2.778 -1.350 -10.277 1.00 0.00 C ATOM 1322 CD1 LEU A 91 -1.909 -2.592 -10.481 1.00 0.00 C ATOM 1323 CD2 LEU A 91 -3.677 -1.075 -11.484 1.00 0.00 C ATOM 0 H LEU A 91 -4.460 -1.433 -6.446 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.139 -2.553 -7.944 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -4.332 -2.264 -9.122 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.167 -0.539 -8.864 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.104 -0.499 -10.176 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.333 -2.486 -11.400 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.229 -2.703 -9.637 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.546 -3.474 -10.552 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.066 -0.999 -12.383 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.392 -1.890 -11.599 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.215 -0.140 -11.331 1.00 0.00 H new ATOM 1335 N VAL A 92 -0.783 -0.884 -6.727 1.00 0.00 N ATOM 1336 CA VAL A 92 0.143 0.132 -6.259 1.00 0.00 C ATOM 1337 C VAL A 92 1.281 0.284 -7.271 1.00 0.00 C ATOM 1338 O VAL A 92 1.572 -0.642 -8.026 1.00 0.00 O ATOM 1339 CB VAL A 92 0.636 -0.216 -4.853 1.00 0.00 C ATOM 1340 CG1 VAL A 92 0.539 -1.721 -4.595 1.00 0.00 C ATOM 1341 CG2 VAL A 92 2.064 0.288 -4.632 1.00 0.00 C ATOM 0 H VAL A 92 -0.460 -1.844 -6.605 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.357 1.098 -6.184 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.012 0.289 -4.136 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.896 -1.941 -3.589 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.499 -2.040 -4.690 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.151 -2.255 -5.322 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.390 0.028 -3.625 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.730 -0.175 -5.360 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.090 1.371 -4.753 1.00 0.00 H new ATOM 1351 N ALA A 93 1.894 1.458 -7.252 1.00 0.00 N ATOM 1352 CA ALA A 93 2.994 1.743 -8.158 1.00 0.00 C ATOM 1353 C ALA A 93 4.287 1.890 -7.354 1.00 0.00 C ATOM 1354 O ALA A 93 4.297 2.520 -6.298 1.00 0.00 O ATOM 1355 CB ALA A 93 2.671 2.995 -8.976 1.00 0.00 C ATOM 0 H ALA A 93 1.650 2.223 -6.623 1.00 0.00 H new ATOM 0 HA ALA A 93 3.134 0.922 -8.861 1.00 0.00 H new ATOM 0 HB1 ALA A 93 3.496 3.209 -9.655 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.761 2.829 -9.552 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.526 3.841 -8.304 1.00 0.00 H new ATOM 1361 N LYS A 94 5.347 1.296 -7.884 1.00 0.00 N ATOM 1362 CA LYS A 94 6.642 1.353 -7.229 1.00 0.00 C ATOM 1363 C LYS A 94 7.155 2.794 -7.246 1.00 0.00 C ATOM 1364 O LYS A 94 7.728 3.241 -8.239 1.00 0.00 O ATOM 1365 CB LYS A 94 7.607 0.349 -7.862 1.00 0.00 C ATOM 1366 CG LYS A 94 8.038 -0.713 -6.848 1.00 0.00 C ATOM 1367 CD LYS A 94 8.925 -0.103 -5.760 1.00 0.00 C ATOM 1368 CE LYS A 94 10.384 -0.036 -6.216 1.00 0.00 C ATOM 1369 NZ LYS A 94 11.264 -0.720 -5.242 1.00 0.00 N ATOM 0 H LYS A 94 5.335 0.773 -8.760 1.00 0.00 H new ATOM 0 HA LYS A 94 6.553 1.059 -6.183 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.129 -0.131 -8.716 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.485 0.872 -8.241 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.157 -1.165 -6.393 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.578 -1.510 -7.358 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.570 0.898 -5.516 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.852 -0.698 -4.850 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.486 -0.501 -7.196 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.690 1.005 -6.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.250 -0.665 -5.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.179 -0.259 -4.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.982 -1.718 -5.160 1.00 0.00 H new ATOM 1383 N SER A 95 6.931 3.481 -6.136 1.00 0.00 N ATOM 1384 CA SER A 95 7.364 4.863 -6.011 1.00 0.00 C ATOM 1385 C SER A 95 8.809 4.916 -5.510 1.00 0.00 C ATOM 1386 O SER A 95 9.392 3.885 -5.178 1.00 0.00 O ATOM 1387 CB SER A 95 6.447 5.644 -5.068 1.00 0.00 C ATOM 1388 OG SER A 95 5.164 5.877 -5.642 1.00 0.00 O ATOM 0 H SER A 95 6.455 3.107 -5.315 1.00 0.00 H new ATOM 0 HA SER A 95 7.310 5.328 -6.995 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.332 5.092 -4.135 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.911 6.598 -4.819 1.00 0.00 H new ATOM 0 HG SER A 95 4.608 6.377 -5.008 1.00 0.00 H new ATOM 1394 N ASP A 96 9.345 6.127 -5.473 1.00 0.00 N ATOM 1395 CA ASP A 96 10.710 6.327 -5.019 1.00 0.00 C ATOM 1396 C ASP A 96 10.717 6.507 -3.500 1.00 0.00 C ATOM 1397 O ASP A 96 9.664 6.479 -2.863 1.00 0.00 O ATOM 1398 CB ASP A 96 11.320 7.583 -5.646 1.00 0.00 C ATOM 1399 CG ASP A 96 11.546 7.507 -7.157 1.00 0.00 C ATOM 1400 OD1 ASP A 96 10.825 6.713 -7.799 1.00 0.00 O ATOM 1401 OD2 ASP A 96 12.435 8.243 -7.636 1.00 0.00 O ATOM 0 H ASP A 96 8.858 6.980 -5.750 1.00 0.00 H new ATOM 0 HA ASP A 96 11.294 5.455 -5.314 1.00 0.00 H new ATOM 0 HB2 ASP A 96 10.668 8.430 -5.434 1.00 0.00 H new ATOM 0 HB3 ASP A 96 12.275 7.786 -5.161 1.00 0.00 H new ATOM 1406 N VAL A 97 11.914 6.687 -2.962 1.00 0.00 N ATOM 1407 CA VAL A 97 12.072 6.870 -1.529 1.00 0.00 C ATOM 1408 C VAL A 97 11.533 8.247 -1.134 1.00 0.00 C ATOM 1409 O VAL A 97 10.716 8.359 -0.221 1.00 0.00 O ATOM 1410 CB VAL A 97 13.535 6.664 -1.133 1.00 0.00 C ATOM 1411 CG1 VAL A 97 13.752 6.987 0.347 1.00 0.00 C ATOM 1412 CG2 VAL A 97 13.996 5.242 -1.458 1.00 0.00 C ATOM 0 H VAL A 97 12.785 6.710 -3.493 1.00 0.00 H new ATOM 0 HA VAL A 97 11.494 6.125 -0.982 1.00 0.00 H new ATOM 0 HB VAL A 97 14.142 7.354 -1.719 1.00 0.00 H new ATOM 0 HG11 VAL A 97 14.800 6.833 0.603 1.00 0.00 H new ATOM 0 HG12 VAL A 97 13.481 8.026 0.536 1.00 0.00 H new ATOM 0 HG13 VAL A 97 13.129 6.333 0.957 1.00 0.00 H new ATOM 0 HG21 VAL A 97 15.039 5.122 -1.167 1.00 0.00 H new ATOM 0 HG22 VAL A 97 13.382 4.527 -0.911 1.00 0.00 H new ATOM 0 HG23 VAL A 97 13.895 5.063 -2.528 1.00 0.00 H new ATOM 1422 N GLU A 98 12.012 9.260 -1.841 1.00 0.00 N ATOM 1423 CA GLU A 98 11.589 10.624 -1.575 1.00 0.00 C ATOM 1424 C GLU A 98 10.075 10.679 -1.365 1.00 0.00 C ATOM 1425 O GLU A 98 9.597 11.332 -0.439 1.00 0.00 O ATOM 1426 CB GLU A 98 12.020 11.562 -2.705 1.00 0.00 C ATOM 1427 CG GLU A 98 13.544 11.589 -2.844 1.00 0.00 C ATOM 1428 CD GLU A 98 14.137 12.808 -2.134 1.00 0.00 C ATOM 1429 OE1 GLU A 98 14.162 13.881 -2.774 1.00 0.00 O ATOM 1430 OE2 GLU A 98 14.553 12.638 -0.967 1.00 0.00 O ATOM 0 H GLU A 98 12.689 9.163 -2.598 1.00 0.00 H new ATOM 0 HA GLU A 98 12.076 10.962 -0.660 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.571 11.237 -3.644 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.651 12.569 -2.508 1.00 0.00 H new ATOM 0 HG2 GLU A 98 13.967 10.677 -2.423 1.00 0.00 H new ATOM 0 HG3 GLU A 98 13.816 11.610 -3.899 1.00 0.00 H new ATOM 1437 N THR A 99 9.363 9.984 -2.240 1.00 0.00 N ATOM 1438 CA THR A 99 7.912 9.946 -2.161 1.00 0.00 C ATOM 1439 C THR A 99 7.465 9.556 -0.751 1.00 0.00 C ATOM 1440 O THR A 99 6.548 10.161 -0.198 1.00 0.00 O ATOM 1441 CB THR A 99 7.406 8.992 -3.245 1.00 0.00 C ATOM 1442 OG1 THR A 99 7.493 9.754 -4.446 1.00 0.00 O ATOM 1443 CG2 THR A 99 5.913 8.687 -3.106 1.00 0.00 C ATOM 0 H THR A 99 9.763 9.443 -3.007 1.00 0.00 H new ATOM 0 HA THR A 99 7.479 10.929 -2.344 1.00 0.00 H new ATOM 0 HB THR A 99 7.973 8.062 -3.203 1.00 0.00 H new ATOM 0 HG1 THR A 99 7.185 9.210 -5.201 1.00 0.00 H new ATOM 0 HG21 THR A 99 5.605 8.006 -3.899 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.725 8.224 -2.137 1.00 0.00 H new ATOM 0 HG23 THR A 99 5.344 9.613 -3.182 1.00 0.00 H new ATOM 1451 N ALA A 100 8.132 8.547 -0.211 1.00 0.00 N ATOM 1452 CA ALA A 100 7.815 8.070 1.124 1.00 0.00 C ATOM 1453 C ALA A 100 8.231 9.124 2.151 1.00 0.00 C ATOM 1454 O ALA A 100 7.491 9.406 3.093 1.00 0.00 O ATOM 1455 CB ALA A 100 8.500 6.722 1.361 1.00 0.00 C ATOM 0 H ALA A 100 8.891 8.047 -0.674 1.00 0.00 H new ATOM 0 HA ALA A 100 6.742 7.913 1.230 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.262 6.364 2.363 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.147 6.000 0.624 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.579 6.840 1.265 1.00 0.00 H new ATOM 1461 N LYS A 101 9.415 9.679 1.936 1.00 0.00 N ATOM 1462 CA LYS A 101 9.939 10.697 2.831 1.00 0.00 C ATOM 1463 C LYS A 101 8.826 11.690 3.174 1.00 0.00 C ATOM 1464 O LYS A 101 8.572 11.962 4.347 1.00 0.00 O ATOM 1465 CB LYS A 101 11.183 11.352 2.228 1.00 0.00 C ATOM 1466 CG LYS A 101 12.456 10.641 2.692 1.00 0.00 C ATOM 1467 CD LYS A 101 13.473 10.540 1.553 1.00 0.00 C ATOM 1468 CE LYS A 101 14.807 9.984 2.057 1.00 0.00 C ATOM 1469 NZ LYS A 101 15.605 11.054 2.697 1.00 0.00 N ATOM 0 H LYS A 101 10.027 9.443 1.155 1.00 0.00 H new ATOM 0 HA LYS A 101 10.267 10.248 3.769 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.122 11.324 1.140 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.222 12.402 2.518 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.895 11.183 3.530 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.208 9.643 3.053 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.080 9.896 0.766 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.629 11.524 1.111 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.626 9.180 2.771 1.00 0.00 H new ATOM 0 HE3 LYS A 101 15.365 9.553 1.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 16.507 10.660 3.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 15.793 11.808 2.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 15.077 11.447 3.502 1.00 0.00 H new ATOM 1483 N LYS A 102 8.193 12.204 2.130 1.00 0.00 N ATOM 1484 CA LYS A 102 7.114 13.160 2.307 1.00 0.00 C ATOM 1485 C LYS A 102 6.026 12.539 3.185 1.00 0.00 C ATOM 1486 O LYS A 102 5.431 13.221 4.019 1.00 0.00 O ATOM 1487 CB LYS A 102 6.603 13.649 0.950 1.00 0.00 C ATOM 1488 CG LYS A 102 7.589 14.632 0.315 1.00 0.00 C ATOM 1489 CD LYS A 102 7.262 14.860 -1.162 1.00 0.00 C ATOM 1490 CE LYS A 102 8.210 15.889 -1.782 1.00 0.00 C ATOM 1491 NZ LYS A 102 7.821 16.175 -3.181 1.00 0.00 N ATOM 0 H LYS A 102 8.407 11.976 1.159 1.00 0.00 H new ATOM 0 HA LYS A 102 7.475 14.048 2.826 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.453 12.798 0.285 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.633 14.131 1.075 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.556 15.582 0.849 1.00 0.00 H new ATOM 0 HG3 LYS A 102 8.604 14.247 0.411 1.00 0.00 H new ATOM 0 HD2 LYS A 102 7.338 13.918 -1.704 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.232 15.203 -1.261 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.190 16.809 -1.198 1.00 0.00 H new ATOM 0 HE3 LYS A 102 9.233 15.514 -1.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 8.474 16.875 -3.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 7.863 15.298 -3.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 6.852 16.553 -3.202 1.00 0.00 H new ATOM 1505 N ILE A 103 5.798 11.252 2.968 1.00 0.00 N ATOM 1506 CA ILE A 103 4.792 10.532 3.730 1.00 0.00 C ATOM 1507 C ILE A 103 5.247 10.415 5.186 1.00 0.00 C ATOM 1508 O ILE A 103 4.444 10.568 6.105 1.00 0.00 O ATOM 1509 CB ILE A 103 4.485 9.185 3.072 1.00 0.00 C ATOM 1510 CG1 ILE A 103 4.010 9.374 1.630 1.00 0.00 C ATOM 1511 CG2 ILE A 103 3.482 8.384 3.905 1.00 0.00 C ATOM 1512 CD1 ILE A 103 2.484 9.463 1.562 1.00 0.00 C ATOM 0 H ILE A 103 6.293 10.689 2.276 1.00 0.00 H new ATOM 0 HA ILE A 103 3.851 11.082 3.733 1.00 0.00 H new ATOM 0 HB ILE A 103 5.408 8.606 3.034 1.00 0.00 H new ATOM 0 HG12 ILE A 103 4.449 10.281 1.215 1.00 0.00 H new ATOM 0 HG13 ILE A 103 4.357 8.542 1.017 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.281 7.431 3.415 1.00 0.00 H new ATOM 0 HG22 ILE A 103 3.896 8.202 4.897 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.553 8.947 3.997 1.00 0.00 H new ATOM 0 HD11 ILE A 103 2.173 9.597 0.526 1.00 0.00 H new ATOM 0 HD12 ILE A 103 2.048 8.545 1.956 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.142 10.311 2.156 1.00 0.00 H new ATOM 1524 N HIS A 104 6.534 10.146 5.351 1.00 0.00 N ATOM 1525 CA HIS A 104 7.106 10.008 6.679 1.00 0.00 C ATOM 1526 C HIS A 104 8.358 10.880 6.793 1.00 0.00 C ATOM 1527 O HIS A 104 9.442 10.472 6.380 1.00 0.00 O ATOM 1528 CB HIS A 104 7.376 8.537 7.004 1.00 0.00 C ATOM 1529 CG HIS A 104 8.208 7.822 5.966 1.00 0.00 C ATOM 1530 ND1 HIS A 104 9.592 7.826 5.981 1.00 0.00 N ATOM 1531 CD2 HIS A 104 7.837 7.081 4.882 1.00 0.00 C ATOM 1532 CE1 HIS A 104 10.024 7.116 4.949 1.00 0.00 C ATOM 1533 NE2 HIS A 104 8.934 6.656 4.269 1.00 0.00 N ATOM 0 H HIS A 104 7.197 10.020 4.586 1.00 0.00 H new ATOM 0 HA HIS A 104 6.392 10.360 7.424 1.00 0.00 H new ATOM 0 HB2 HIS A 104 7.883 8.475 7.967 1.00 0.00 H new ATOM 0 HB3 HIS A 104 6.423 8.018 7.112 1.00 0.00 H new ATOM 0 HD1 HIS A 104 10.180 8.296 6.670 1.00 0.00 H new ATOM 0 HD2 HIS A 104 6.822 6.875 4.575 1.00 0.00 H new ATOM 0 HE1 HIS A 104 11.057 6.934 4.691 1.00 0.00 H new