USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 845 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 37 SER OG : rot -90:sc= -2.95! USER MOD Set 1.2: A 41 GLN : amide:sc= -1.19 K(o=-4.1,f=-9.7!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.155 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 165:sc= -2.39! (180deg=-2.83!) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0489 USER MOD Single : A 17 LYS NZ :NH3+ -162:sc= 1.04 (180deg=0.743) USER MOD Single : A 19 GLN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : A 25 SER OG : rot -77:sc= 1.13 USER MOD Single : A 35 HIS : no HD1:sc= -1.67 K(o=-1.7,f=-3.7!) USER MOD Single : A 43 GLN :FLIP amide:sc= 0.121 F(o=-1.5,f=0.12) USER MOD Single : A 45 THR OG1 : rot 77:sc= 0.805 USER MOD Single : A 48 LYS NZ :NH3+ 167:sc= 0.932 (180deg=0.751) USER MOD Single : A 53 GLN : amide:sc= -0.0128 K(o=-0.013,f=-0.61) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 71 LYS NZ :NH3+ -165:sc= 1.01 (180deg=0.827) USER MOD Single : A 75 SER OG : rot 180:sc= -0.166 USER MOD Single : A 83 HIS : no HE2:sc= 0.783 K(o=0.78,f=-4.2!) USER MOD Single : A 85 TYR OH : rot 61:sc= -0.373 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -80:sc= 0.0409 USER MOD Single : A 108 GLN : amide:sc= -0.291 X(o=-0.29,f=-0.5) USER MOD Single : A 112 HIS : no HE2:sc= 0.619 K(o=0.62,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 9.445 -5.048 10.778 1.00 0.00 N ATOM 21 CA THR A 2 9.685 -3.733 10.148 1.00 0.00 C ATOM 22 C THR A 2 8.359 -3.004 9.862 1.00 0.00 C ATOM 23 O THR A 2 7.296 -3.426 10.320 1.00 0.00 O ATOM 24 CB THR A 2 10.482 -3.862 8.818 1.00 0.00 C ATOM 25 OG1 THR A 2 10.838 -2.562 8.320 1.00 0.00 O ATOM 26 CG2 THR A 2 9.675 -4.611 7.758 1.00 0.00 C ATOM 0 HA THR A 2 10.276 -3.155 10.858 1.00 0.00 H new ATOM 0 HB THR A 2 11.388 -4.431 9.030 1.00 0.00 H new ATOM 0 HG1 THR A 2 11.340 -2.658 7.484 1.00 0.00 H new ATOM 0 HG21 THR A 2 10.259 -4.685 6.841 1.00 0.00 H new ATOM 0 HG22 THR A 2 9.440 -5.612 8.120 1.00 0.00 H new ATOM 0 HG23 THR A 2 8.750 -4.071 7.557 1.00 0.00 H new ATOM 34 N LEU A 3 8.425 -1.905 9.111 1.00 0.00 N ATOM 35 CA LEU A 3 7.229 -1.151 8.717 1.00 0.00 C ATOM 36 C LEU A 3 7.036 -1.190 7.190 1.00 0.00 C ATOM 37 O LEU A 3 7.920 -0.785 6.429 1.00 0.00 O ATOM 38 CB LEU A 3 7.338 0.304 9.201 1.00 0.00 C ATOM 39 CG LEU A 3 7.488 0.486 10.723 1.00 0.00 C ATOM 40 CD1 LEU A 3 7.668 1.963 11.077 1.00 0.00 C ATOM 41 CD2 LEU A 3 6.288 -0.108 11.464 1.00 0.00 C ATOM 0 H LEU A 3 9.299 -1.513 8.760 1.00 0.00 H new ATOM 0 HA LEU A 3 6.361 -1.616 9.183 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.194 0.769 8.711 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.450 0.845 8.873 1.00 0.00 H new ATOM 0 HG LEU A 3 8.381 -0.051 11.042 1.00 0.00 H new ATOM 0 HD11 LEU A 3 7.772 2.068 12.157 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.562 2.348 10.587 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.798 2.527 10.740 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.417 0.033 12.537 1.00 0.00 H new ATOM 0 HD22 LEU A 3 5.376 0.393 11.139 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.215 -1.173 11.244 1.00 0.00 H new ATOM 53 N ILE A 4 5.878 -1.679 6.747 1.00 0.00 N ATOM 54 CA ILE A 4 5.574 -1.794 5.314 1.00 0.00 C ATOM 55 C ILE A 4 4.632 -0.672 4.847 1.00 0.00 C ATOM 56 O ILE A 4 3.801 -0.180 5.613 1.00 0.00 O ATOM 57 CB ILE A 4 4.950 -3.171 4.972 1.00 0.00 C ATOM 58 CG1 ILE A 4 3.688 -3.420 5.813 1.00 0.00 C ATOM 59 CG2 ILE A 4 5.973 -4.289 5.181 1.00 0.00 C ATOM 60 CD1 ILE A 4 3.026 -4.756 5.549 1.00 0.00 C ATOM 0 H ILE A 4 5.130 -2.004 7.360 1.00 0.00 H new ATOM 0 HA ILE A 4 6.522 -1.700 4.785 1.00 0.00 H new ATOM 0 HB ILE A 4 4.659 -3.166 3.921 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.950 -3.358 6.869 1.00 0.00 H new ATOM 0 HG13 ILE A 4 2.969 -2.625 5.616 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.518 -5.249 4.936 1.00 0.00 H new ATOM 0 HG22 ILE A 4 6.834 -4.120 4.534 1.00 0.00 H new ATOM 0 HG23 ILE A 4 6.297 -4.296 6.222 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.143 -4.856 6.181 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.731 -4.815 4.501 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.726 -5.560 5.775 1.00 0.00 H new ATOM 72 N TYR A 5 4.767 -0.269 3.581 1.00 0.00 N ATOM 73 CA TYR A 5 4.019 0.877 3.045 1.00 0.00 C ATOM 74 C TYR A 5 3.583 0.643 1.592 1.00 0.00 C ATOM 75 O TYR A 5 4.420 0.440 0.713 1.00 0.00 O ATOM 76 CB TYR A 5 4.881 2.150 3.102 1.00 0.00 C ATOM 77 CG TYR A 5 5.369 2.518 4.493 1.00 0.00 C ATOM 78 CD1 TYR A 5 6.558 2.000 4.997 1.00 0.00 C ATOM 79 CD2 TYR A 5 4.641 3.382 5.299 1.00 0.00 C ATOM 80 CE1 TYR A 5 7.003 2.333 6.261 1.00 0.00 C ATOM 81 CE2 TYR A 5 5.081 3.721 6.565 1.00 0.00 C ATOM 82 CZ TYR A 5 6.261 3.193 7.042 1.00 0.00 C ATOM 83 OH TYR A 5 6.705 3.534 8.301 1.00 0.00 O ATOM 0 H TYR A 5 5.387 -0.718 2.906 1.00 0.00 H new ATOM 0 HA TYR A 5 3.129 0.996 3.663 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.745 2.018 2.451 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.304 2.983 2.701 1.00 0.00 H new ATOM 0 HD1 TYR A 5 7.143 1.326 4.389 1.00 0.00 H new ATOM 0 HD2 TYR A 5 3.714 3.797 4.931 1.00 0.00 H new ATOM 0 HE1 TYR A 5 7.928 1.921 6.636 1.00 0.00 H new ATOM 0 HE2 TYR A 5 4.502 4.397 7.177 1.00 0.00 H new ATOM 0 HH TYR A 5 6.066 4.149 8.718 1.00 0.00 H new ATOM 93 N LYS A 6 2.274 0.701 1.337 1.00 0.00 N ATOM 94 CA LYS A 6 1.751 0.573 -0.032 1.00 0.00 C ATOM 95 C LYS A 6 1.178 1.910 -0.527 1.00 0.00 C ATOM 96 O LYS A 6 0.320 2.510 0.122 1.00 0.00 O ATOM 97 CB LYS A 6 0.676 -0.526 -0.117 1.00 0.00 C ATOM 98 CG LYS A 6 0.125 -0.731 -1.533 1.00 0.00 C ATOM 99 CD LYS A 6 -0.738 -1.991 -1.647 1.00 0.00 C ATOM 100 CE LYS A 6 -1.176 -2.249 -3.092 1.00 0.00 C ATOM 101 NZ LYS A 6 -1.741 -3.615 -3.283 1.00 0.00 N ATOM 0 H LYS A 6 1.559 0.835 2.052 1.00 0.00 H new ATOM 0 HA LYS A 6 2.584 0.290 -0.676 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.098 -1.465 0.240 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.146 -0.272 0.552 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.467 0.139 -1.819 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.955 -0.797 -2.237 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.178 -2.850 -1.278 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.618 -1.888 -1.013 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.921 -1.508 -3.380 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.322 -2.117 -3.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.248 -3.657 -4.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.970 -4.313 -3.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -2.400 -3.830 -2.508 1.00 0.00 H new ATOM 115 N ILE A 7 1.668 2.372 -1.676 1.00 0.00 N ATOM 116 CA ILE A 7 1.200 3.626 -2.278 1.00 0.00 C ATOM 117 C ILE A 7 0.156 3.364 -3.377 1.00 0.00 C ATOM 118 O ILE A 7 0.348 2.507 -4.242 1.00 0.00 O ATOM 119 CB ILE A 7 2.381 4.439 -2.876 1.00 0.00 C ATOM 120 CG1 ILE A 7 3.438 4.723 -1.793 1.00 0.00 C ATOM 121 CG2 ILE A 7 1.879 5.744 -3.504 1.00 0.00 C ATOM 122 CD1 ILE A 7 4.667 5.450 -2.303 1.00 0.00 C ATOM 0 H ILE A 7 2.393 1.896 -2.213 1.00 0.00 H new ATOM 0 HA ILE A 7 0.736 4.206 -1.480 1.00 0.00 H new ATOM 0 HB ILE A 7 2.846 3.845 -3.663 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.981 5.316 -1.001 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.747 3.778 -1.346 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.723 6.297 -3.917 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.171 5.516 -4.300 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.386 6.348 -2.742 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.362 5.612 -1.479 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.151 4.850 -3.074 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.373 6.412 -2.723 1.00 0.00 H new ATOM 134 N LEU A 8 -0.948 4.103 -3.330 1.00 0.00 N ATOM 135 CA LEU A 8 -2.014 3.988 -4.334 1.00 0.00 C ATOM 136 C LEU A 8 -2.669 5.354 -4.589 1.00 0.00 C ATOM 137 O LEU A 8 -2.404 6.321 -3.875 1.00 0.00 O ATOM 138 CB LEU A 8 -3.080 2.963 -3.892 1.00 0.00 C ATOM 139 CG LEU A 8 -4.009 3.390 -2.732 1.00 0.00 C ATOM 140 CD1 LEU A 8 -5.094 2.340 -2.500 1.00 0.00 C ATOM 141 CD2 LEU A 8 -3.222 3.630 -1.444 1.00 0.00 C ATOM 0 H LEU A 8 -1.134 4.795 -2.604 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.562 3.638 -5.262 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.701 2.723 -4.755 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.570 2.045 -3.600 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.482 4.330 -3.017 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.738 2.658 -1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.689 2.226 -3.406 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.630 1.387 -2.248 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.906 3.929 -0.650 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.709 2.713 -1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.489 4.420 -1.607 1.00 0.00 H new ATOM 153 N SER A 9 -3.523 5.433 -5.604 1.00 0.00 N ATOM 154 CA SER A 9 -4.203 6.692 -5.933 1.00 0.00 C ATOM 155 C SER A 9 -5.368 6.963 -4.975 1.00 0.00 C ATOM 156 O SER A 9 -6.008 6.035 -4.469 1.00 0.00 O ATOM 157 CB SER A 9 -4.728 6.675 -7.375 1.00 0.00 C ATOM 158 OG SER A 9 -5.801 5.758 -7.527 1.00 0.00 O ATOM 0 H SER A 9 -3.763 4.650 -6.212 1.00 0.00 H new ATOM 0 HA SER A 9 -3.467 7.489 -5.829 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.060 7.675 -7.654 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.919 6.406 -8.055 1.00 0.00 H new ATOM 0 HG SER A 9 -6.114 5.772 -8.456 1.00 0.00 H new ATOM 164 N ARG A 10 -5.640 8.242 -4.725 1.00 0.00 N ATOM 165 CA ARG A 10 -6.759 8.646 -3.867 1.00 0.00 C ATOM 166 C ARG A 10 -8.086 8.076 -4.387 1.00 0.00 C ATOM 167 O ARG A 10 -8.962 7.700 -3.606 1.00 0.00 O ATOM 168 CB ARG A 10 -6.844 10.177 -3.785 1.00 0.00 C ATOM 169 CG ARG A 10 -7.935 10.694 -2.848 1.00 0.00 C ATOM 170 CD ARG A 10 -7.689 10.281 -1.398 1.00 0.00 C ATOM 171 NE ARG A 10 -8.715 10.800 -0.498 1.00 0.00 N ATOM 172 CZ ARG A 10 -8.764 10.553 0.782 1.00 0.00 C ATOM 173 NH1 ARG A 10 -7.867 9.814 1.349 1.00 0.00 N ATOM 174 NH2 ARG A 10 -9.712 11.055 1.498 1.00 0.00 N ATOM 0 H ARG A 10 -5.101 9.021 -5.104 1.00 0.00 H new ATOM 0 HA ARG A 10 -6.579 8.245 -2.870 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.881 10.566 -3.453 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.021 10.574 -4.785 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.982 11.781 -2.912 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.903 10.313 -3.174 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.664 9.193 -1.330 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.711 10.642 -1.079 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.441 11.395 -0.896 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -7.109 9.416 0.794 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.917 9.629 2.351 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.422 11.644 1.063 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.752 10.863 2.499 1.00 0.00 H new ATOM 188 N ALA A 11 -8.220 8.011 -5.712 1.00 0.00 N ATOM 189 CA ALA A 11 -9.406 7.432 -6.347 1.00 0.00 C ATOM 190 C ALA A 11 -9.642 5.987 -5.877 1.00 0.00 C ATOM 191 O ALA A 11 -10.753 5.624 -5.480 1.00 0.00 O ATOM 192 CB ALA A 11 -9.263 7.484 -7.866 1.00 0.00 C ATOM 0 H ALA A 11 -7.519 8.353 -6.369 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.273 8.022 -6.051 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.149 7.051 -8.330 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.155 8.520 -8.186 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -8.382 6.917 -8.168 1.00 0.00 H new ATOM 198 N GLU A 12 -8.590 5.170 -5.915 1.00 0.00 N ATOM 199 CA GLU A 12 -8.675 3.776 -5.464 1.00 0.00 C ATOM 200 C GLU A 12 -8.839 3.668 -3.942 1.00 0.00 C ATOM 201 O GLU A 12 -9.613 2.845 -3.455 1.00 0.00 O ATOM 202 CB GLU A 12 -7.440 2.987 -5.921 1.00 0.00 C ATOM 203 CG GLU A 12 -7.541 2.462 -7.349 1.00 0.00 C ATOM 204 CD GLU A 12 -8.630 1.407 -7.507 1.00 0.00 C ATOM 205 OE1 GLU A 12 -8.450 0.283 -6.991 1.00 0.00 O ATOM 206 OE2 GLU A 12 -9.669 1.698 -8.138 1.00 0.00 O ATOM 0 H GLU A 12 -7.668 5.446 -6.253 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.566 3.345 -5.920 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.561 3.626 -5.840 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.286 2.146 -5.244 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.744 3.293 -8.025 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.582 2.037 -7.645 1.00 0.00 H new ATOM 213 N TRP A 13 -8.117 4.498 -3.191 1.00 0.00 N ATOM 214 CA TRP A 13 -8.185 4.453 -1.729 1.00 0.00 C ATOM 215 C TRP A 13 -9.587 4.804 -1.211 1.00 0.00 C ATOM 216 O TRP A 13 -10.077 4.186 -0.267 1.00 0.00 O ATOM 217 CB TRP A 13 -7.141 5.388 -1.110 1.00 0.00 C ATOM 218 CG TRP A 13 -7.199 5.428 0.390 1.00 0.00 C ATOM 219 CD1 TRP A 13 -7.329 6.536 1.174 1.00 0.00 C ATOM 220 CD2 TRP A 13 -7.148 4.308 1.284 1.00 0.00 C ATOM 221 NE1 TRP A 13 -7.348 6.179 2.500 1.00 0.00 N ATOM 222 CE2 TRP A 13 -7.243 4.815 2.592 1.00 0.00 C ATOM 223 CE3 TRP A 13 -7.030 2.925 1.104 1.00 0.00 C ATOM 224 CZ2 TRP A 13 -7.223 3.989 3.713 1.00 0.00 C ATOM 225 CZ3 TRP A 13 -7.010 2.106 2.218 1.00 0.00 C ATOM 226 CH2 TRP A 13 -7.109 2.641 3.508 1.00 0.00 C ATOM 0 H TRP A 13 -7.483 5.204 -3.565 1.00 0.00 H new ATOM 0 HA TRP A 13 -7.967 3.429 -1.426 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -6.146 5.068 -1.420 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -7.288 6.395 -1.500 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -7.406 7.548 0.805 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -7.427 6.823 3.287 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -6.956 2.505 0.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -7.295 4.398 4.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -6.917 1.038 2.091 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -7.095 1.976 4.359 1.00 0.00 H new ATOM 237 N ASP A 14 -10.233 5.792 -1.828 1.00 0.00 N ATOM 238 CA ASP A 14 -11.588 6.179 -1.427 1.00 0.00 C ATOM 239 C ASP A 14 -12.561 5.008 -1.657 1.00 0.00 C ATOM 240 O ASP A 14 -13.394 4.692 -0.805 1.00 0.00 O ATOM 241 CB ASP A 14 -12.049 7.414 -2.215 1.00 0.00 C ATOM 242 CG ASP A 14 -13.074 8.244 -1.453 1.00 0.00 C ATOM 243 OD1 ASP A 14 -14.063 7.673 -0.948 1.00 0.00 O ATOM 244 OD2 ASP A 14 -12.886 9.473 -1.338 1.00 0.00 O ATOM 0 H ASP A 14 -9.847 6.335 -2.600 1.00 0.00 H new ATOM 0 HA ASP A 14 -11.580 6.429 -0.366 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.184 8.035 -2.448 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.478 7.095 -3.165 1.00 0.00 H new ATOM 249 N ALA A 15 -12.424 4.358 -2.814 1.00 0.00 N ATOM 250 CA ALA A 15 -13.249 3.201 -3.169 1.00 0.00 C ATOM 251 C ALA A 15 -13.002 2.018 -2.216 1.00 0.00 C ATOM 252 O ALA A 15 -13.943 1.384 -1.736 1.00 0.00 O ATOM 253 CB ALA A 15 -12.974 2.794 -4.611 1.00 0.00 C ATOM 0 H ALA A 15 -11.743 4.616 -3.528 1.00 0.00 H new ATOM 0 HA ALA A 15 -14.297 3.486 -3.071 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -13.590 1.933 -4.870 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.213 3.624 -5.275 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -11.921 2.533 -4.721 1.00 0.00 H new ATOM 259 N ALA A 16 -11.729 1.725 -1.946 1.00 0.00 N ATOM 260 CA ALA A 16 -11.353 0.678 -0.984 1.00 0.00 C ATOM 261 C ALA A 16 -11.889 0.999 0.419 1.00 0.00 C ATOM 262 O ALA A 16 -12.348 0.115 1.145 1.00 0.00 O ATOM 263 CB ALA A 16 -9.839 0.515 -0.942 1.00 0.00 C ATOM 0 H ALA A 16 -10.936 2.198 -2.380 1.00 0.00 H new ATOM 0 HA ALA A 16 -11.801 -0.259 -1.314 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -9.577 -0.263 -0.226 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.476 0.235 -1.931 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.380 1.456 -0.640 1.00 0.00 H new ATOM 269 N LYS A 17 -11.822 2.277 0.782 1.00 0.00 N ATOM 270 CA LYS A 17 -12.380 2.776 2.042 1.00 0.00 C ATOM 271 C LYS A 17 -13.897 2.535 2.106 1.00 0.00 C ATOM 272 O LYS A 17 -14.423 2.090 3.127 1.00 0.00 O ATOM 273 CB LYS A 17 -12.061 4.274 2.175 1.00 0.00 C ATOM 274 CG LYS A 17 -12.724 4.968 3.360 1.00 0.00 C ATOM 275 CD LYS A 17 -12.288 6.430 3.470 1.00 0.00 C ATOM 276 CE LYS A 17 -12.537 7.211 2.179 1.00 0.00 C ATOM 277 NZ LYS A 17 -13.985 7.331 1.853 1.00 0.00 N ATOM 0 H LYS A 17 -11.380 2.999 0.213 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.928 2.234 2.873 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.981 4.395 2.259 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.367 4.779 1.259 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.808 4.918 3.253 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.470 4.441 4.280 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.827 6.906 4.289 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.228 6.472 3.718 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.106 8.208 2.273 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.022 6.717 1.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -14.095 7.586 0.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -14.458 6.422 2.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -14.415 8.069 2.447 1.00 0.00 H new ATOM 291 N ALA A 18 -14.589 2.820 1.002 1.00 0.00 N ATOM 292 CA ALA A 18 -16.032 2.570 0.896 1.00 0.00 C ATOM 293 C ALA A 18 -16.351 1.073 1.023 1.00 0.00 C ATOM 294 O ALA A 18 -17.351 0.683 1.626 1.00 0.00 O ATOM 295 CB ALA A 18 -16.560 3.113 -0.428 1.00 0.00 C ATOM 0 H ALA A 18 -14.173 3.226 0.164 1.00 0.00 H new ATOM 0 HA ALA A 18 -16.527 3.087 1.718 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -17.631 2.923 -0.498 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -16.378 4.186 -0.480 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -16.049 2.618 -1.254 1.00 0.00 H new ATOM 301 N GLN A 19 -15.491 0.244 0.438 1.00 0.00 N ATOM 302 CA GLN A 19 -15.620 -1.213 0.531 1.00 0.00 C ATOM 303 C GLN A 19 -15.208 -1.726 1.920 1.00 0.00 C ATOM 304 O GLN A 19 -15.705 -2.748 2.390 1.00 0.00 O ATOM 305 CB GLN A 19 -14.738 -1.885 -0.531 1.00 0.00 C ATOM 306 CG GLN A 19 -15.112 -1.540 -1.966 1.00 0.00 C ATOM 307 CD GLN A 19 -14.105 -2.075 -2.973 1.00 0.00 C ATOM 308 OE1 GLN A 19 -13.097 -1.284 -3.286 1.00 0.00 O flip ATOM 309 NE2 GLN A 19 -14.228 -3.192 -3.461 1.00 0.00 N flip ATOM 0 H GLN A 19 -14.690 0.557 -0.111 1.00 0.00 H new ATOM 0 HA GLN A 19 -16.668 -1.464 0.364 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.701 -1.598 -0.359 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -14.795 -2.966 -0.403 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -16.097 -1.948 -2.190 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -15.185 -0.457 -2.069 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -15.019 -3.779 -3.198 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -13.539 -3.535 -4.130 1.00 0.00 H new ATOM 318 N GLY A 20 -14.294 -1.007 2.568 1.00 0.00 N ATOM 319 CA GLY A 20 -13.679 -1.499 3.797 1.00 0.00 C ATOM 320 C GLY A 20 -12.580 -2.521 3.510 1.00 0.00 C ATOM 321 O GLY A 20 -11.995 -3.104 4.426 1.00 0.00 O ATOM 0 H GLY A 20 -13.966 -0.090 2.265 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -13.260 -0.661 4.355 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -14.442 -1.953 4.429 1.00 0.00 H new ATOM 325 N ARG A 21 -12.290 -2.717 2.224 1.00 0.00 N ATOM 326 CA ARG A 21 -11.327 -3.726 1.772 1.00 0.00 C ATOM 327 C ARG A 21 -10.571 -3.254 0.519 1.00 0.00 C ATOM 328 O ARG A 21 -11.175 -2.719 -0.412 1.00 0.00 O ATOM 329 CB ARG A 21 -12.061 -5.035 1.433 1.00 0.00 C ATOM 330 CG ARG A 21 -12.716 -5.723 2.626 1.00 0.00 C ATOM 331 CD ARG A 21 -13.612 -6.881 2.189 1.00 0.00 C ATOM 332 NE ARG A 21 -12.923 -7.809 1.294 1.00 0.00 N ATOM 333 CZ ARG A 21 -13.403 -8.961 0.921 1.00 0.00 C ATOM 334 NH1 ARG A 21 -14.532 -9.393 1.391 1.00 0.00 N ATOM 335 NH2 ARG A 21 -12.747 -9.685 0.076 1.00 0.00 N ATOM 0 H ARG A 21 -12.714 -2.183 1.466 1.00 0.00 H new ATOM 0 HA ARG A 21 -10.613 -3.886 2.580 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -12.827 -4.824 0.687 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -11.352 -5.726 0.976 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -11.945 -6.094 3.301 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -13.306 -4.997 3.186 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -13.960 -7.420 3.070 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -14.495 -6.485 1.688 1.00 0.00 H new ATOM 0 HE ARG A 21 -12.007 -7.537 0.938 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -15.055 -8.829 2.061 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -14.897 -10.297 1.091 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -11.857 -9.354 -0.296 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.119 -10.588 -0.219 1.00 0.00 H new ATOM 349 N PHE A 22 -9.253 -3.440 0.500 1.00 0.00 N ATOM 350 CA PHE A 22 -8.472 -3.254 -0.725 1.00 0.00 C ATOM 351 C PHE A 22 -8.136 -4.616 -1.345 1.00 0.00 C ATOM 352 O PHE A 22 -7.203 -5.308 -0.917 1.00 0.00 O ATOM 353 CB PHE A 22 -7.183 -2.451 -0.471 1.00 0.00 C ATOM 354 CG PHE A 22 -6.486 -2.040 -1.752 1.00 0.00 C ATOM 355 CD1 PHE A 22 -7.106 -1.159 -2.629 1.00 0.00 C ATOM 356 CD2 PHE A 22 -5.230 -2.535 -2.092 1.00 0.00 C ATOM 357 CE1 PHE A 22 -6.496 -0.780 -3.809 1.00 0.00 C ATOM 358 CE2 PHE A 22 -4.619 -2.155 -3.273 1.00 0.00 C ATOM 359 CZ PHE A 22 -5.252 -1.279 -4.132 1.00 0.00 C ATOM 0 H PHE A 22 -8.704 -3.718 1.313 1.00 0.00 H new ATOM 0 HA PHE A 22 -9.082 -2.678 -1.421 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -7.424 -1.560 0.108 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -6.501 -3.049 0.133 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -8.081 -0.764 -2.384 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.728 -3.222 -1.427 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -6.993 -0.093 -4.478 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.644 -2.545 -3.524 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.774 -0.985 -5.055 1.00 0.00 H new ATOM 369 N GLU A 23 -8.926 -5.003 -2.339 1.00 0.00 N ATOM 370 CA GLU A 23 -8.735 -6.274 -3.036 1.00 0.00 C ATOM 371 C GLU A 23 -7.624 -6.169 -4.088 1.00 0.00 C ATOM 372 O GLU A 23 -6.962 -5.135 -4.217 1.00 0.00 O ATOM 373 CB GLU A 23 -10.050 -6.711 -3.701 1.00 0.00 C ATOM 374 CG GLU A 23 -11.216 -6.871 -2.730 1.00 0.00 C ATOM 375 CD GLU A 23 -10.956 -7.923 -1.661 1.00 0.00 C ATOM 376 OE1 GLU A 23 -10.986 -9.128 -1.987 1.00 0.00 O ATOM 377 OE2 GLU A 23 -10.730 -7.553 -0.491 1.00 0.00 O ATOM 0 H GLU A 23 -9.712 -4.452 -2.684 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.435 -7.022 -2.302 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.322 -5.978 -4.461 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.887 -7.658 -4.216 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.416 -5.913 -2.249 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.113 -7.141 -3.288 1.00 0.00 H new ATOM 384 N GLY A 24 -7.423 -7.246 -4.837 1.00 0.00 N ATOM 385 CA GLY A 24 -6.409 -7.249 -5.877 1.00 0.00 C ATOM 386 C GLY A 24 -6.720 -6.287 -7.023 1.00 0.00 C ATOM 387 O GLY A 24 -7.727 -6.439 -7.716 1.00 0.00 O ATOM 0 H GLY A 24 -7.944 -8.118 -4.744 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.447 -6.983 -5.439 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.309 -8.259 -6.275 1.00 0.00 H new ATOM 391 N SER A 25 -5.866 -5.282 -7.212 1.00 0.00 N ATOM 392 CA SER A 25 -5.991 -4.365 -8.354 1.00 0.00 C ATOM 393 C SER A 25 -5.544 -5.051 -9.651 1.00 0.00 C ATOM 394 O SER A 25 -5.235 -6.243 -9.657 1.00 0.00 O ATOM 395 CB SER A 25 -5.130 -3.117 -8.131 1.00 0.00 C ATOM 396 OG SER A 25 -3.746 -3.444 -8.159 1.00 0.00 O ATOM 0 H SER A 25 -5.081 -5.079 -6.593 1.00 0.00 H new ATOM 0 HA SER A 25 -7.039 -4.078 -8.440 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.349 -2.377 -8.901 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.381 -2.663 -7.172 1.00 0.00 H new ATOM 0 HG SER A 25 -3.493 -3.870 -7.313 1.00 0.00 H new ATOM 402 N ALA A 26 -5.491 -4.299 -10.750 1.00 0.00 N ATOM 403 CA ALA A 26 -4.967 -4.829 -12.014 1.00 0.00 C ATOM 404 C ALA A 26 -3.549 -5.403 -11.830 1.00 0.00 C ATOM 405 O ALA A 26 -3.198 -6.427 -12.417 1.00 0.00 O ATOM 406 CB ALA A 26 -4.973 -3.742 -13.085 1.00 0.00 C ATOM 0 H ALA A 26 -5.801 -3.328 -10.794 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.616 -5.643 -12.338 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.582 -4.148 -14.018 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.993 -3.391 -13.241 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.348 -2.909 -12.762 1.00 0.00 H new ATOM 412 N VAL A 27 -2.751 -4.742 -10.990 1.00 0.00 N ATOM 413 CA VAL A 27 -1.374 -5.171 -10.714 1.00 0.00 C ATOM 414 C VAL A 27 -1.333 -6.360 -9.735 1.00 0.00 C ATOM 415 O VAL A 27 -0.632 -7.354 -9.965 1.00 0.00 O ATOM 416 CB VAL A 27 -0.542 -4.003 -10.130 1.00 0.00 C ATOM 417 CG1 VAL A 27 0.906 -4.426 -9.884 1.00 0.00 C ATOM 418 CG2 VAL A 27 -0.608 -2.785 -11.050 1.00 0.00 C ATOM 0 H VAL A 27 -3.035 -3.902 -10.485 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.943 -5.488 -11.664 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.973 -3.728 -9.168 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.466 -3.586 -9.474 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.928 -5.256 -9.177 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.359 -4.739 -10.825 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.017 -1.974 -10.623 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.210 -3.047 -12.030 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.644 -2.463 -11.154 1.00 0.00 H new ATOM 428 N ASP A 28 -2.089 -6.255 -8.641 1.00 0.00 N ATOM 429 CA ASP A 28 -2.130 -7.317 -7.632 1.00 0.00 C ATOM 430 C ASP A 28 -2.667 -8.635 -8.231 1.00 0.00 C ATOM 431 O ASP A 28 -2.122 -9.712 -7.978 1.00 0.00 O ATOM 432 CB ASP A 28 -2.982 -6.887 -6.430 1.00 0.00 C ATOM 433 CG ASP A 28 -2.488 -5.601 -5.776 1.00 0.00 C ATOM 434 OD1 ASP A 28 -1.316 -5.547 -5.351 1.00 0.00 O ATOM 435 OD2 ASP A 28 -3.267 -4.632 -5.680 1.00 0.00 O ATOM 0 H ASP A 28 -2.679 -5.450 -8.431 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.110 -7.493 -7.290 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.014 -6.750 -6.754 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -2.984 -7.687 -5.689 1.00 0.00 H new ATOM 440 N LEU A 29 -3.728 -8.542 -9.040 1.00 0.00 N ATOM 441 CA LEU A 29 -4.285 -9.719 -9.726 1.00 0.00 C ATOM 442 C LEU A 29 -3.376 -10.195 -10.870 1.00 0.00 C ATOM 443 O LEU A 29 -3.370 -11.381 -11.205 1.00 0.00 O ATOM 444 CB LEU A 29 -5.696 -9.435 -10.268 1.00 0.00 C ATOM 445 CG LEU A 29 -6.782 -9.228 -9.201 1.00 0.00 C ATOM 446 CD1 LEU A 29 -8.137 -8.954 -9.853 1.00 0.00 C ATOM 447 CD2 LEU A 29 -6.862 -10.439 -8.268 1.00 0.00 C ATOM 0 H LEU A 29 -4.218 -7.669 -9.237 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.347 -10.514 -8.983 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.653 -8.545 -10.896 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.994 -10.264 -10.910 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.511 -8.357 -8.604 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -8.891 -8.811 -9.079 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -8.071 -8.055 -10.466 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.417 -9.801 -10.480 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.637 -10.272 -7.520 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.104 -11.330 -8.848 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.902 -10.579 -7.771 1.00 0.00 H new ATOM 459 N ALA A 30 -2.619 -9.273 -11.474 1.00 0.00 N ATOM 460 CA ALA A 30 -1.658 -9.633 -12.527 1.00 0.00 C ATOM 461 C ALA A 30 -0.680 -10.707 -12.032 1.00 0.00 C ATOM 462 O ALA A 30 -0.451 -11.715 -12.702 1.00 0.00 O ATOM 463 CB ALA A 30 -0.896 -8.399 -13.002 1.00 0.00 C ATOM 0 H ALA A 30 -2.651 -8.277 -11.255 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.217 -10.042 -13.369 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.190 -8.685 -13.781 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.599 -7.668 -13.401 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.354 -7.961 -12.164 1.00 0.00 H new ATOM 469 N ASP A 31 -0.106 -10.478 -10.853 1.00 0.00 N ATOM 470 CA ASP A 31 0.739 -11.483 -10.197 1.00 0.00 C ATOM 471 C ASP A 31 -0.110 -12.584 -9.534 1.00 0.00 C ATOM 472 O ASP A 31 0.311 -13.738 -9.436 1.00 0.00 O ATOM 473 CB ASP A 31 1.626 -10.814 -9.145 1.00 0.00 C ATOM 474 CG ASP A 31 2.537 -9.762 -9.744 1.00 0.00 C ATOM 475 OD1 ASP A 31 2.016 -8.771 -10.296 1.00 0.00 O ATOM 476 OD2 ASP A 31 3.774 -9.902 -9.641 1.00 0.00 O ATOM 0 H ASP A 31 -0.208 -9.608 -10.330 1.00 0.00 H new ATOM 0 HA ASP A 31 1.362 -11.947 -10.961 1.00 0.00 H new ATOM 0 HB2 ASP A 31 0.997 -10.355 -8.382 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.230 -11.573 -8.647 1.00 0.00 H new ATOM 481 N GLY A 32 -1.305 -12.214 -9.075 1.00 0.00 N ATOM 482 CA GLY A 32 -2.185 -13.156 -8.380 1.00 0.00 C ATOM 483 C GLY A 32 -2.224 -12.917 -6.873 1.00 0.00 C ATOM 484 O GLY A 32 -3.083 -13.451 -6.166 1.00 0.00 O ATOM 0 H GLY A 32 -1.686 -11.273 -9.171 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.194 -13.072 -8.784 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.848 -14.174 -8.574 1.00 0.00 H new ATOM 488 N PHE A 33 -1.291 -12.098 -6.395 1.00 0.00 N ATOM 489 CA PHE A 33 -1.160 -11.782 -4.968 1.00 0.00 C ATOM 490 C PHE A 33 -0.790 -10.301 -4.762 1.00 0.00 C ATOM 491 O PHE A 33 -0.138 -9.683 -5.608 1.00 0.00 O ATOM 492 CB PHE A 33 -0.117 -12.706 -4.311 1.00 0.00 C ATOM 493 CG PHE A 33 1.041 -13.061 -5.214 1.00 0.00 C ATOM 494 CD1 PHE A 33 2.052 -12.147 -5.472 1.00 0.00 C ATOM 495 CD2 PHE A 33 1.107 -14.312 -5.813 1.00 0.00 C ATOM 496 CE1 PHE A 33 3.103 -12.475 -6.307 1.00 0.00 C ATOM 497 CE2 PHE A 33 2.156 -14.642 -6.650 1.00 0.00 C ATOM 498 CZ PHE A 33 3.155 -13.722 -6.898 1.00 0.00 C ATOM 0 H PHE A 33 -0.601 -11.632 -6.984 1.00 0.00 H new ATOM 0 HA PHE A 33 -2.124 -11.952 -4.488 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.269 -12.222 -3.414 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.610 -13.624 -3.990 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.017 -11.169 -5.016 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.329 -15.036 -5.622 1.00 0.00 H new ATOM 0 HE1 PHE A 33 3.885 -11.755 -6.498 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.194 -15.619 -7.110 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.975 -13.977 -7.553 1.00 0.00 H new ATOM 508 N ILE A 34 -1.197 -9.745 -3.625 1.00 0.00 N ATOM 509 CA ILE A 34 -1.072 -8.305 -3.370 1.00 0.00 C ATOM 510 C ILE A 34 0.388 -7.846 -3.176 1.00 0.00 C ATOM 511 O ILE A 34 1.177 -8.485 -2.481 1.00 0.00 O ATOM 512 CB ILE A 34 -1.918 -7.894 -2.135 1.00 0.00 C ATOM 513 CG1 ILE A 34 -3.411 -8.166 -2.400 1.00 0.00 C ATOM 514 CG2 ILE A 34 -1.691 -6.426 -1.769 1.00 0.00 C ATOM 515 CD1 ILE A 34 -4.324 -7.744 -1.267 1.00 0.00 C ATOM 0 H ILE A 34 -1.619 -10.269 -2.859 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.449 -7.805 -4.262 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.597 -8.498 -1.286 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.710 -7.642 -3.308 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.548 -9.231 -2.586 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.298 -6.170 -0.900 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.638 -6.268 -1.536 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.975 -5.793 -2.610 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.358 -7.968 -1.530 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.054 -8.286 -0.361 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.218 -6.673 -1.094 1.00 0.00 H new ATOM 527 N HIS A 35 0.732 -6.731 -3.819 1.00 0.00 N ATOM 528 CA HIS A 35 2.029 -6.071 -3.635 1.00 0.00 C ATOM 529 C HIS A 35 1.956 -5.095 -2.449 1.00 0.00 C ATOM 530 O HIS A 35 0.914 -4.481 -2.219 1.00 0.00 O ATOM 531 CB HIS A 35 2.415 -5.293 -4.904 1.00 0.00 C ATOM 532 CG HIS A 35 2.403 -6.109 -6.163 1.00 0.00 C ATOM 533 ND1 HIS A 35 3.549 -6.456 -6.846 1.00 0.00 N ATOM 534 CD2 HIS A 35 1.373 -6.616 -6.886 1.00 0.00 C ATOM 535 CE1 HIS A 35 3.228 -7.133 -7.927 1.00 0.00 C ATOM 536 NE2 HIS A 35 1.917 -7.245 -7.976 1.00 0.00 N ATOM 0 H HIS A 35 0.120 -6.257 -4.484 1.00 0.00 H new ATOM 0 HA HIS A 35 2.781 -6.834 -3.437 1.00 0.00 H new ATOM 0 HB2 HIS A 35 1.729 -4.454 -5.023 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.412 -4.873 -4.768 1.00 0.00 H new ATOM 0 HD2 HIS A 35 0.322 -6.539 -6.648 1.00 0.00 H new ATOM 0 HE1 HIS A 35 3.923 -7.530 -8.652 1.00 0.00 H new ATOM 0 HE2 HIS A 35 1.391 -7.723 -8.707 1.00 0.00 H new ATOM 545 N LEU A 36 3.056 -4.947 -1.708 1.00 0.00 N ATOM 546 CA LEU A 36 3.103 -4.024 -0.561 1.00 0.00 C ATOM 547 C LEU A 36 4.383 -3.179 -0.555 1.00 0.00 C ATOM 548 O LEU A 36 4.341 -1.978 -0.803 1.00 0.00 O ATOM 549 CB LEU A 36 2.980 -4.806 0.758 1.00 0.00 C ATOM 550 CG LEU A 36 1.584 -5.382 1.044 1.00 0.00 C ATOM 551 CD1 LEU A 36 1.603 -6.260 2.289 1.00 0.00 C ATOM 552 CD2 LEU A 36 0.566 -4.253 1.200 1.00 0.00 C ATOM 0 H LEU A 36 3.927 -5.451 -1.877 1.00 0.00 H new ATOM 0 HA LEU A 36 2.259 -3.342 -0.658 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.699 -5.625 0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.261 -4.148 1.580 1.00 0.00 H new ATOM 0 HG LEU A 36 1.290 -6.002 0.197 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.604 -6.656 2.470 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.299 -7.086 2.141 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.920 -5.667 3.147 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.418 -4.676 1.402 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.861 -3.609 2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.528 -3.668 0.281 1.00 0.00 H new ATOM 564 N SER A 37 5.510 -3.837 -0.287 1.00 0.00 N ATOM 565 CA SER A 37 6.829 -3.177 -0.151 1.00 0.00 C ATOM 566 C SER A 37 6.988 -2.463 1.199 1.00 0.00 C ATOM 567 O SER A 37 6.023 -2.246 1.929 1.00 0.00 O ATOM 568 CB SER A 37 7.102 -2.176 -1.289 1.00 0.00 C ATOM 569 OG SER A 37 8.335 -1.502 -1.089 1.00 0.00 O ATOM 0 H SER A 37 5.545 -4.848 -0.156 1.00 0.00 H new ATOM 0 HA SER A 37 7.562 -3.982 -0.209 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.122 -2.702 -2.244 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.291 -1.450 -1.342 1.00 0.00 H new ATOM 0 HG SER A 37 8.181 -0.686 -0.569 1.00 0.00 H new ATOM 575 N ALA A 38 8.230 -2.113 1.524 1.00 0.00 N ATOM 576 CA ALA A 38 8.543 -1.353 2.741 1.00 0.00 C ATOM 577 C ALA A 38 9.013 0.063 2.385 1.00 0.00 C ATOM 578 O ALA A 38 9.161 0.390 1.207 1.00 0.00 O ATOM 579 CB ALA A 38 9.605 -2.078 3.562 1.00 0.00 C ATOM 0 H ALA A 38 9.046 -2.344 0.958 1.00 0.00 H new ATOM 0 HA ALA A 38 7.637 -1.273 3.341 1.00 0.00 H new ATOM 0 HB1 ALA A 38 9.826 -1.502 4.461 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.236 -3.064 3.844 1.00 0.00 H new ATOM 0 HB3 ALA A 38 10.513 -2.187 2.968 1.00 0.00 H new ATOM 585 N GLY A 39 9.265 0.886 3.405 1.00 0.00 N ATOM 586 CA GLY A 39 9.675 2.280 3.193 1.00 0.00 C ATOM 587 C GLY A 39 10.737 2.470 2.105 1.00 0.00 C ATOM 588 O GLY A 39 10.624 3.372 1.271 1.00 0.00 O ATOM 0 H GLY A 39 9.193 0.614 4.385 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.796 2.869 2.932 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.059 2.680 4.132 1.00 0.00 H new ATOM 592 N GLU A 40 11.758 1.610 2.110 1.00 0.00 N ATOM 593 CA GLU A 40 12.847 1.674 1.123 1.00 0.00 C ATOM 594 C GLU A 40 12.314 1.680 -0.322 1.00 0.00 C ATOM 595 O GLU A 40 12.442 2.674 -1.043 1.00 0.00 O ATOM 596 CB GLU A 40 13.804 0.485 1.316 1.00 0.00 C ATOM 597 CG GLU A 40 14.912 0.404 0.266 1.00 0.00 C ATOM 598 CD GLU A 40 15.837 -0.788 0.470 1.00 0.00 C ATOM 599 OE1 GLU A 40 16.831 -0.653 1.217 1.00 0.00 O ATOM 600 OE2 GLU A 40 15.576 -1.863 -0.114 1.00 0.00 O ATOM 0 H GLU A 40 11.857 0.856 2.789 1.00 0.00 H new ATOM 0 HA GLU A 40 13.382 2.610 1.286 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.258 0.554 2.304 1.00 0.00 H new ATOM 0 HB3 GLU A 40 13.228 -0.440 1.294 1.00 0.00 H new ATOM 0 HG2 GLU A 40 14.462 0.343 -0.725 1.00 0.00 H new ATOM 0 HG3 GLU A 40 15.499 1.322 0.294 1.00 0.00 H new ATOM 607 N GLN A 41 11.703 0.569 -0.735 1.00 0.00 N ATOM 608 CA GLN A 41 11.217 0.421 -2.112 1.00 0.00 C ATOM 609 C GLN A 41 9.920 1.209 -2.353 1.00 0.00 C ATOM 610 O GLN A 41 9.521 1.417 -3.498 1.00 0.00 O ATOM 611 CB GLN A 41 11.006 -1.057 -2.444 1.00 0.00 C ATOM 612 CG GLN A 41 12.255 -1.907 -2.254 1.00 0.00 C ATOM 613 CD GLN A 41 12.023 -3.379 -2.548 1.00 0.00 C ATOM 614 OE1 GLN A 41 12.929 -4.092 -2.961 1.00 0.00 O ATOM 615 NE2 GLN A 41 10.808 -3.843 -2.341 1.00 0.00 N ATOM 0 H GLN A 41 11.532 -0.241 -0.139 1.00 0.00 H new ATOM 0 HA GLN A 41 11.979 0.834 -2.773 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.208 -1.452 -1.815 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.670 -1.145 -3.477 1.00 0.00 H new ATOM 0 HG2 GLN A 41 13.045 -1.532 -2.905 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.609 -1.799 -1.229 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.077 -3.221 -1.996 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.598 -4.824 -2.525 1.00 0.00 H new ATOM 624 N ALA A 42 9.254 1.627 -1.278 1.00 0.00 N ATOM 625 CA ALA A 42 8.097 2.523 -1.389 1.00 0.00 C ATOM 626 C ALA A 42 8.513 3.876 -1.995 1.00 0.00 C ATOM 627 O ALA A 42 7.921 4.338 -2.972 1.00 0.00 O ATOM 628 CB ALA A 42 7.446 2.723 -0.025 1.00 0.00 C ATOM 0 H ALA A 42 9.492 1.363 -0.322 1.00 0.00 H new ATOM 0 HA ALA A 42 7.368 2.062 -2.055 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.590 3.390 -0.125 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.113 1.761 0.364 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.169 3.162 0.663 1.00 0.00 H new ATOM 634 N GLN A 43 9.546 4.500 -1.418 1.00 0.00 N ATOM 635 CA GLN A 43 10.100 5.745 -1.973 1.00 0.00 C ATOM 636 C GLN A 43 10.763 5.499 -3.338 1.00 0.00 C ATOM 637 O GLN A 43 10.688 6.344 -4.229 1.00 0.00 O ATOM 638 CB GLN A 43 11.091 6.394 -0.992 1.00 0.00 C ATOM 639 CG GLN A 43 11.955 7.496 -1.615 1.00 0.00 C ATOM 640 CD GLN A 43 12.516 8.473 -0.593 1.00 0.00 C ATOM 641 OE1 GLN A 43 11.854 9.604 -0.428 1.00 0.00 O flip ATOM 642 NE2 GLN A 43 13.557 8.237 0.010 1.00 0.00 N flip ATOM 0 H GLN A 43 10.014 4.169 -0.574 1.00 0.00 H new ATOM 0 HA GLN A 43 9.272 6.437 -2.124 1.00 0.00 H new ATOM 0 HB2 GLN A 43 10.534 6.813 -0.154 1.00 0.00 H new ATOM 0 HB3 GLN A 43 11.744 5.621 -0.586 1.00 0.00 H new ATOM 0 HG2 GLN A 43 12.780 7.037 -2.159 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.360 8.046 -2.344 1.00 0.00 H new ATOM 0 HE21 GLN A 43 14.044 7.354 -0.140 1.00 0.00 H new ATOM 0 HE22 GLN A 43 13.936 8.924 0.662 1.00 0.00 H new ATOM 651 N GLU A 44 11.401 4.338 -3.502 1.00 0.00 N ATOM 652 CA GLU A 44 11.948 3.938 -4.809 1.00 0.00 C ATOM 653 C GLU A 44 10.854 3.966 -5.888 1.00 0.00 C ATOM 654 O GLU A 44 10.941 4.715 -6.858 1.00 0.00 O ATOM 655 CB GLU A 44 12.563 2.530 -4.732 1.00 0.00 C ATOM 656 CG GLU A 44 13.836 2.443 -3.897 1.00 0.00 C ATOM 657 CD GLU A 44 15.007 3.185 -4.524 1.00 0.00 C ATOM 658 OE1 GLU A 44 15.415 2.813 -5.645 1.00 0.00 O ATOM 659 OE2 GLU A 44 15.524 4.139 -3.904 1.00 0.00 O ATOM 0 H GLU A 44 11.553 3.660 -2.755 1.00 0.00 H new ATOM 0 HA GLU A 44 12.727 4.651 -5.078 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.823 1.846 -4.316 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.782 2.187 -5.743 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.643 2.852 -2.905 1.00 0.00 H new ATOM 0 HG3 GLU A 44 14.106 1.395 -3.763 1.00 0.00 H new ATOM 666 N THR A 45 9.819 3.152 -5.694 1.00 0.00 N ATOM 667 CA THR A 45 8.677 3.090 -6.620 1.00 0.00 C ATOM 668 C THR A 45 8.053 4.477 -6.836 1.00 0.00 C ATOM 669 O THR A 45 7.679 4.838 -7.956 1.00 0.00 O ATOM 670 CB THR A 45 7.588 2.118 -6.095 1.00 0.00 C ATOM 671 OG1 THR A 45 8.149 0.808 -5.911 1.00 0.00 O ATOM 672 CG2 THR A 45 6.401 2.028 -7.051 1.00 0.00 C ATOM 0 H THR A 45 9.742 2.519 -4.898 1.00 0.00 H new ATOM 0 HA THR A 45 9.060 2.723 -7.573 1.00 0.00 H new ATOM 0 HB THR A 45 7.230 2.510 -5.143 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.676 0.791 -5.085 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.660 1.337 -6.648 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.952 3.014 -7.167 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.742 1.668 -8.022 1.00 0.00 H new ATOM 680 N ALA A 46 7.955 5.252 -5.758 1.00 0.00 N ATOM 681 CA ALA A 46 7.446 6.622 -5.832 1.00 0.00 C ATOM 682 C ALA A 46 8.332 7.504 -6.728 1.00 0.00 C ATOM 683 O ALA A 46 7.831 8.296 -7.519 1.00 0.00 O ATOM 684 CB ALA A 46 7.343 7.218 -4.432 1.00 0.00 C ATOM 0 H ALA A 46 8.222 4.954 -4.820 1.00 0.00 H new ATOM 0 HA ALA A 46 6.453 6.589 -6.280 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.963 8.238 -4.498 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.663 6.616 -3.829 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.329 7.227 -3.967 1.00 0.00 H new ATOM 690 N ALA A 47 9.649 7.342 -6.614 1.00 0.00 N ATOM 691 CA ALA A 47 10.599 8.131 -7.408 1.00 0.00 C ATOM 692 C ALA A 47 10.639 7.679 -8.879 1.00 0.00 C ATOM 693 O ALA A 47 10.780 8.500 -9.789 1.00 0.00 O ATOM 694 CB ALA A 47 11.995 8.047 -6.799 1.00 0.00 C ATOM 0 H ALA A 47 10.086 6.672 -5.981 1.00 0.00 H new ATOM 0 HA ALA A 47 10.256 9.165 -7.390 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.689 8.637 -7.398 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.972 8.437 -5.781 1.00 0.00 H new ATOM 0 HB3 ALA A 47 12.323 7.008 -6.782 1.00 0.00 H new ATOM 700 N LYS A 48 10.532 6.371 -9.105 1.00 0.00 N ATOM 701 CA LYS A 48 10.584 5.804 -10.449 1.00 0.00 C ATOM 702 C LYS A 48 9.245 5.964 -11.192 1.00 0.00 C ATOM 703 O LYS A 48 9.170 6.622 -12.230 1.00 0.00 O ATOM 704 CB LYS A 48 10.945 4.316 -10.360 1.00 0.00 C ATOM 705 CG LYS A 48 12.195 4.020 -9.530 1.00 0.00 C ATOM 706 CD LYS A 48 12.527 2.526 -9.504 1.00 0.00 C ATOM 707 CE LYS A 48 13.459 2.165 -8.349 1.00 0.00 C ATOM 708 NZ LYS A 48 14.716 2.959 -8.354 1.00 0.00 N ATOM 0 H LYS A 48 10.408 5.679 -8.366 1.00 0.00 H new ATOM 0 HA LYS A 48 11.344 6.346 -11.012 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.102 3.775 -9.931 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.093 3.929 -11.368 1.00 0.00 H new ATOM 0 HG2 LYS A 48 13.041 4.572 -9.940 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.046 4.376 -8.511 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.605 1.951 -9.418 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.993 2.242 -10.448 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.938 2.323 -7.405 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.704 1.104 -8.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.206 2.839 -7.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.331 2.630 -9.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.491 3.964 -8.496 1.00 0.00 H new ATOM 722 N TRP A 49 8.188 5.364 -10.648 1.00 0.00 N ATOM 723 CA TRP A 49 6.885 5.309 -11.327 1.00 0.00 C ATOM 724 C TRP A 49 6.027 6.560 -11.069 1.00 0.00 C ATOM 725 O TRP A 49 5.375 7.072 -11.979 1.00 0.00 O ATOM 726 CB TRP A 49 6.113 4.063 -10.874 1.00 0.00 C ATOM 727 CG TRP A 49 6.826 2.774 -11.164 1.00 0.00 C ATOM 728 CD1 TRP A 49 7.822 2.205 -10.424 1.00 0.00 C ATOM 729 CD2 TRP A 49 6.597 1.894 -12.271 1.00 0.00 C ATOM 730 NE1 TRP A 49 8.231 1.034 -11.007 1.00 0.00 N ATOM 731 CE2 TRP A 49 7.492 0.819 -12.140 1.00 0.00 C ATOM 732 CE3 TRP A 49 5.723 1.914 -13.362 1.00 0.00 C ATOM 733 CZ2 TRP A 49 7.538 -0.231 -13.055 1.00 0.00 C ATOM 734 CZ3 TRP A 49 5.768 0.873 -14.270 1.00 0.00 C ATOM 735 CH2 TRP A 49 6.671 -0.186 -14.112 1.00 0.00 C ATOM 0 H TRP A 49 8.204 4.906 -9.737 1.00 0.00 H new ATOM 0 HA TRP A 49 7.087 5.265 -12.397 1.00 0.00 H new ATOM 0 HB2 TRP A 49 5.926 4.132 -9.802 1.00 0.00 H new ATOM 0 HB3 TRP A 49 5.141 4.049 -11.367 1.00 0.00 H new ATOM 0 HD1 TRP A 49 8.228 2.617 -9.512 1.00 0.00 H new ATOM 0 HE1 TRP A 49 8.967 0.422 -10.654 1.00 0.00 H new ATOM 0 HE3 TRP A 49 5.025 2.728 -13.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 8.232 -1.050 -12.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 5.096 0.876 -15.115 1.00 0.00 H new ATOM 0 HH2 TRP A 49 6.683 -0.984 -14.840 1.00 0.00 H new ATOM 746 N PHE A 50 6.034 7.055 -9.833 1.00 0.00 N ATOM 747 CA PHE A 50 5.133 8.149 -9.430 1.00 0.00 C ATOM 748 C PHE A 50 5.893 9.469 -9.248 1.00 0.00 C ATOM 749 O PHE A 50 5.528 10.285 -8.405 1.00 0.00 O ATOM 750 CB PHE A 50 4.405 7.776 -8.131 1.00 0.00 C ATOM 751 CG PHE A 50 3.579 6.518 -8.242 1.00 0.00 C ATOM 752 CD1 PHE A 50 2.521 6.441 -9.139 1.00 0.00 C ATOM 753 CD2 PHE A 50 3.865 5.410 -7.455 1.00 0.00 C ATOM 754 CE1 PHE A 50 1.766 5.288 -9.244 1.00 0.00 C ATOM 755 CE2 PHE A 50 3.111 4.257 -7.558 1.00 0.00 C ATOM 756 CZ PHE A 50 2.061 4.195 -8.453 1.00 0.00 C ATOM 0 H PHE A 50 6.649 6.722 -9.091 1.00 0.00 H new ATOM 0 HA PHE A 50 4.404 8.293 -10.227 1.00 0.00 H new ATOM 0 HB2 PHE A 50 5.140 7.649 -7.336 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.757 8.602 -7.837 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.286 7.292 -9.761 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.686 5.450 -6.755 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.945 5.242 -9.945 1.00 0.00 H new ATOM 0 HE2 PHE A 50 3.343 3.403 -6.938 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.472 3.294 -8.534 1.00 0.00 H new ATOM 766 N ARG A 51 6.908 9.665 -10.099 1.00 0.00 N ATOM 767 CA ARG A 51 7.847 10.810 -10.043 1.00 0.00 C ATOM 768 C ARG A 51 7.276 12.053 -9.335 1.00 0.00 C ATOM 769 O ARG A 51 7.908 12.623 -8.451 1.00 0.00 O ATOM 770 CB ARG A 51 8.270 11.212 -11.463 1.00 0.00 C ATOM 771 CG ARG A 51 8.379 10.055 -12.454 1.00 0.00 C ATOM 772 CD ARG A 51 8.703 10.553 -13.858 1.00 0.00 C ATOM 773 NE ARG A 51 8.497 9.518 -14.869 1.00 0.00 N ATOM 774 CZ ARG A 51 8.796 9.651 -16.133 1.00 0.00 C ATOM 775 NH1 ARG A 51 9.338 10.742 -16.575 1.00 0.00 N ATOM 776 NH2 ARG A 51 8.547 8.687 -16.959 1.00 0.00 N ATOM 0 H ARG A 51 7.110 9.022 -10.865 1.00 0.00 H new ATOM 0 HA ARG A 51 8.698 10.464 -9.456 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.552 11.935 -11.849 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.234 11.717 -11.410 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.154 9.363 -12.124 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.442 9.499 -12.471 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.078 11.415 -14.090 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.738 10.892 -13.892 1.00 0.00 H new ATOM 0 HE ARG A 51 8.092 8.632 -14.567 1.00 0.00 H new ATOM 0 HH11 ARG A 51 9.536 11.510 -15.933 1.00 0.00 H new ATOM 0 HH12 ARG A 51 9.567 10.833 -17.565 1.00 0.00 H new ATOM 0 HH21 ARG A 51 8.118 7.825 -16.622 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.780 8.789 -17.947 1.00 0.00 H new ATOM 790 N GLY A 52 6.092 12.474 -9.764 1.00 0.00 N ATOM 791 CA GLY A 52 5.414 13.608 -9.143 1.00 0.00 C ATOM 792 C GLY A 52 3.902 13.570 -9.339 1.00 0.00 C ATOM 793 O GLY A 52 3.295 14.558 -9.760 1.00 0.00 O ATOM 0 H GLY A 52 5.581 12.049 -10.538 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.638 13.620 -8.076 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.807 14.535 -9.561 1.00 0.00 H new ATOM 797 N GLN A 53 3.287 12.426 -9.034 1.00 0.00 N ATOM 798 CA GLN A 53 1.833 12.260 -9.198 1.00 0.00 C ATOM 799 C GLN A 53 1.053 12.944 -8.059 1.00 0.00 C ATOM 800 O GLN A 53 1.270 12.653 -6.883 1.00 0.00 O ATOM 801 CB GLN A 53 1.458 10.772 -9.243 1.00 0.00 C ATOM 802 CG GLN A 53 2.123 9.976 -10.364 1.00 0.00 C ATOM 803 CD GLN A 53 1.811 10.510 -11.752 1.00 0.00 C ATOM 804 OE1 GLN A 53 0.775 11.124 -11.981 1.00 0.00 O ATOM 805 NE2 GLN A 53 2.688 10.247 -12.698 1.00 0.00 N ATOM 0 H GLN A 53 3.766 11.601 -8.673 1.00 0.00 H new ATOM 0 HA GLN A 53 1.561 12.734 -10.141 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.721 10.317 -8.288 1.00 0.00 H new ATOM 0 HB3 GLN A 53 0.376 10.688 -9.349 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.203 9.984 -10.214 1.00 0.00 H new ATOM 0 HG3 GLN A 53 1.801 8.937 -10.302 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.541 9.734 -12.475 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.515 10.556 -13.654 1.00 0.00 H new ATOM 814 N ALA A 54 0.129 13.836 -8.409 1.00 0.00 N ATOM 815 CA ALA A 54 -0.658 14.561 -7.404 1.00 0.00 C ATOM 816 C ALA A 54 -1.981 13.847 -7.080 1.00 0.00 C ATOM 817 O ALA A 54 -3.064 14.325 -7.424 1.00 0.00 O ATOM 818 CB ALA A 54 -0.915 15.994 -7.862 1.00 0.00 C ATOM 0 H ALA A 54 -0.095 14.076 -9.375 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.073 14.584 -6.485 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.500 16.518 -7.106 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.036 16.506 -8.005 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.466 15.982 -8.803 1.00 0.00 H new ATOM 824 N ASN A 55 -1.876 12.684 -6.438 1.00 0.00 N ATOM 825 CA ASN A 55 -3.051 11.921 -5.980 1.00 0.00 C ATOM 826 C ASN A 55 -2.632 10.681 -5.173 1.00 0.00 C ATOM 827 O ASN A 55 -3.401 9.731 -5.036 1.00 0.00 O ATOM 828 CB ASN A 55 -3.929 11.492 -7.169 1.00 0.00 C ATOM 829 CG ASN A 55 -3.167 10.704 -8.221 1.00 0.00 C ATOM 830 OD1 ASN A 55 -3.009 9.494 -8.118 1.00 0.00 O ATOM 831 ND2 ASN A 55 -2.704 11.381 -9.252 1.00 0.00 N ATOM 0 H ASN A 55 -0.984 12.241 -6.219 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.630 12.579 -5.332 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.758 10.887 -6.801 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.362 12.379 -7.631 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.197 10.898 -9.994 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.852 12.389 -9.309 1.00 0.00 H new ATOM 838 N LEU A 56 -1.426 10.710 -4.617 1.00 0.00 N ATOM 839 CA LEU A 56 -0.862 9.540 -3.938 1.00 0.00 C ATOM 840 C LEU A 56 -1.329 9.432 -2.479 1.00 0.00 C ATOM 841 O LEU A 56 -1.443 10.429 -1.767 1.00 0.00 O ATOM 842 CB LEU A 56 0.672 9.594 -3.984 1.00 0.00 C ATOM 843 CG LEU A 56 1.285 9.788 -5.380 1.00 0.00 C ATOM 844 CD1 LEU A 56 2.808 9.711 -5.320 1.00 0.00 C ATOM 845 CD2 LEU A 56 0.724 8.769 -6.366 1.00 0.00 C ATOM 0 H LEU A 56 -0.817 11.528 -4.621 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.221 8.657 -4.467 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.009 10.408 -3.342 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.064 8.670 -3.559 1.00 0.00 H new ATOM 0 HG LEU A 56 1.013 10.782 -5.734 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.219 9.851 -6.320 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.186 10.491 -4.660 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.108 8.735 -4.938 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.173 8.926 -7.347 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.954 7.762 -6.019 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.357 8.889 -6.438 1.00 0.00 H new ATOM 857 N VAL A 57 -1.593 8.207 -2.043 1.00 0.00 N ATOM 858 CA VAL A 57 -1.931 7.926 -0.648 1.00 0.00 C ATOM 859 C VAL A 57 -0.963 6.891 -0.062 1.00 0.00 C ATOM 860 O VAL A 57 -0.744 5.829 -0.649 1.00 0.00 O ATOM 861 CB VAL A 57 -3.383 7.406 -0.502 1.00 0.00 C ATOM 862 CG1 VAL A 57 -3.703 7.086 0.959 1.00 0.00 C ATOM 863 CG2 VAL A 57 -4.381 8.417 -1.065 1.00 0.00 C ATOM 0 H VAL A 57 -1.580 7.381 -2.641 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.845 8.865 -0.101 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.471 6.485 -1.078 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.728 6.723 1.036 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.018 6.320 1.322 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.591 7.987 1.562 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.394 8.030 -0.952 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.289 9.359 -0.524 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.173 8.584 -2.122 1.00 0.00 H new ATOM 873 N LEU A 58 -0.381 7.211 1.089 1.00 0.00 N ATOM 874 CA LEU A 58 0.574 6.320 1.750 1.00 0.00 C ATOM 875 C LEU A 58 -0.115 5.459 2.822 1.00 0.00 C ATOM 876 O LEU A 58 -0.617 5.980 3.824 1.00 0.00 O ATOM 877 CB LEU A 58 1.708 7.142 2.386 1.00 0.00 C ATOM 878 CG LEU A 58 2.830 6.323 3.046 1.00 0.00 C ATOM 879 CD1 LEU A 58 3.525 5.430 2.019 1.00 0.00 C ATOM 880 CD2 LEU A 58 3.833 7.248 3.736 1.00 0.00 C ATOM 0 H LEU A 58 -0.553 8.084 1.588 1.00 0.00 H new ATOM 0 HA LEU A 58 0.990 5.652 0.996 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.149 7.776 1.617 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.276 7.805 3.136 1.00 0.00 H new ATOM 0 HG LEU A 58 2.385 5.678 3.804 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.315 4.860 2.508 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.799 4.744 1.583 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.957 6.048 1.233 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.620 6.652 4.198 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.272 7.922 3.000 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.323 7.831 4.503 1.00 0.00 H new ATOM 892 N LEU A 59 -0.158 4.147 2.596 1.00 0.00 N ATOM 893 CA LEU A 59 -0.701 3.212 3.588 1.00 0.00 C ATOM 894 C LEU A 59 0.406 2.690 4.514 1.00 0.00 C ATOM 895 O LEU A 59 1.224 1.857 4.114 1.00 0.00 O ATOM 896 CB LEU A 59 -1.402 2.032 2.900 1.00 0.00 C ATOM 897 CG LEU A 59 -2.549 2.407 1.949 1.00 0.00 C ATOM 898 CD1 LEU A 59 -3.202 1.151 1.373 1.00 0.00 C ATOM 899 CD2 LEU A 59 -3.584 3.285 2.658 1.00 0.00 C ATOM 0 H LEU A 59 0.175 3.706 1.739 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.432 3.755 4.188 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.658 1.467 2.339 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.794 1.366 3.669 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.131 2.984 1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.012 1.437 0.702 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.459 0.575 0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.601 0.543 2.185 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.385 3.536 1.963 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.998 2.744 3.509 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.106 4.200 3.007 1.00 0.00 H new ATOM 911 N ALA A 60 0.419 3.187 5.749 1.00 0.00 N ATOM 912 CA ALA A 60 1.435 2.814 6.739 1.00 0.00 C ATOM 913 C ALA A 60 0.960 1.652 7.621 1.00 0.00 C ATOM 914 O ALA A 60 0.020 1.794 8.409 1.00 0.00 O ATOM 915 CB ALA A 60 1.795 4.023 7.602 1.00 0.00 C ATOM 0 H ALA A 60 -0.269 3.856 6.093 1.00 0.00 H new ATOM 0 HA ALA A 60 2.323 2.481 6.201 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.550 3.736 8.334 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.188 4.818 6.968 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.904 4.378 8.120 1.00 0.00 H new ATOM 921 N VAL A 61 1.605 0.498 7.480 1.00 0.00 N ATOM 922 CA VAL A 61 1.244 -0.692 8.258 1.00 0.00 C ATOM 923 C VAL A 61 2.485 -1.323 8.903 1.00 0.00 C ATOM 924 O VAL A 61 3.538 -1.424 8.272 1.00 0.00 O ATOM 925 CB VAL A 61 0.548 -1.758 7.368 1.00 0.00 C ATOM 926 CG1 VAL A 61 -0.015 -2.899 8.217 1.00 0.00 C ATOM 927 CG2 VAL A 61 -0.545 -1.126 6.507 1.00 0.00 C ATOM 0 H VAL A 61 2.382 0.357 6.834 1.00 0.00 H new ATOM 0 HA VAL A 61 0.553 -0.366 9.036 1.00 0.00 H new ATOM 0 HB VAL A 61 1.300 -2.177 6.700 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.497 -3.631 7.569 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.796 -3.378 8.766 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.746 -2.502 8.922 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.015 -1.895 5.894 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.295 -0.666 7.151 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.105 -0.366 5.861 1.00 0.00 H new ATOM 937 N GLU A 62 2.372 -1.735 10.163 1.00 0.00 N ATOM 938 CA GLU A 62 3.454 -2.482 10.812 1.00 0.00 C ATOM 939 C GLU A 62 3.454 -3.940 10.323 1.00 0.00 C ATOM 940 O GLU A 62 2.402 -4.573 10.250 1.00 0.00 O ATOM 941 CB GLU A 62 3.336 -2.406 12.346 1.00 0.00 C ATOM 942 CG GLU A 62 2.002 -2.883 12.910 1.00 0.00 C ATOM 943 CD GLU A 62 1.906 -2.688 14.416 1.00 0.00 C ATOM 944 OE1 GLU A 62 2.425 -3.538 15.172 1.00 0.00 O ATOM 945 OE2 GLU A 62 1.320 -1.676 14.855 1.00 0.00 O ATOM 0 H GLU A 62 1.555 -1.569 10.751 1.00 0.00 H new ATOM 0 HA GLU A 62 4.406 -2.027 10.537 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.135 -3.002 12.788 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.498 -1.374 12.658 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.191 -2.341 12.424 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.867 -3.939 12.674 1.00 0.00 H new ATOM 952 N ALA A 63 4.637 -4.457 9.974 1.00 0.00 N ATOM 953 CA ALA A 63 4.757 -5.776 9.329 1.00 0.00 C ATOM 954 C ALA A 63 4.052 -6.892 10.117 1.00 0.00 C ATOM 955 O ALA A 63 2.998 -7.369 9.704 1.00 0.00 O ATOM 956 CB ALA A 63 6.224 -6.126 9.112 1.00 0.00 C ATOM 0 H ALA A 63 5.528 -3.984 10.126 1.00 0.00 H new ATOM 0 HA ALA A 63 4.253 -5.704 8.365 1.00 0.00 H new ATOM 0 HB1 ALA A 63 6.298 -7.103 8.635 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.687 -5.374 8.473 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.738 -6.152 10.073 1.00 0.00 H new ATOM 962 N GLU A 64 4.651 -7.312 11.240 1.00 0.00 N ATOM 963 CA GLU A 64 4.076 -8.360 12.100 1.00 0.00 C ATOM 964 C GLU A 64 3.874 -9.698 11.356 1.00 0.00 C ATOM 965 O GLU A 64 3.905 -9.760 10.127 1.00 0.00 O ATOM 966 CB GLU A 64 2.738 -7.879 12.695 1.00 0.00 C ATOM 967 CG GLU A 64 2.868 -6.683 13.635 1.00 0.00 C ATOM 968 CD GLU A 64 3.687 -6.996 14.879 1.00 0.00 C ATOM 969 OE1 GLU A 64 3.123 -7.557 15.844 1.00 0.00 O ATOM 970 OE2 GLU A 64 4.897 -6.682 14.903 1.00 0.00 O ATOM 0 H GLU A 64 5.539 -6.940 11.577 1.00 0.00 H new ATOM 0 HA GLU A 64 4.792 -8.545 12.900 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.064 -7.615 11.880 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.276 -8.704 13.236 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.332 -5.855 13.099 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.873 -6.352 13.934 1.00 0.00 H new ATOM 977 N PRO A 65 3.724 -10.805 12.102 1.00 0.00 N ATOM 978 CA PRO A 65 3.302 -12.090 11.520 1.00 0.00 C ATOM 979 C PRO A 65 1.920 -11.996 10.841 1.00 0.00 C ATOM 980 O PRO A 65 1.799 -12.209 9.638 1.00 0.00 O ATOM 981 CB PRO A 65 3.251 -13.035 12.734 1.00 0.00 C ATOM 982 CG PRO A 65 4.137 -12.399 13.753 1.00 0.00 C ATOM 983 CD PRO A 65 4.005 -10.914 13.543 1.00 0.00 C ATOM 0 HA PRO A 65 3.980 -12.427 10.736 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.233 -13.143 13.108 1.00 0.00 H new ATOM 0 HB3 PRO A 65 3.602 -14.033 12.473 1.00 0.00 H new ATOM 0 HG2 PRO A 65 3.836 -12.679 14.762 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.171 -12.721 13.628 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.200 -10.492 14.144 1.00 0.00 H new ATOM 0 HD3 PRO A 65 4.918 -10.385 13.817 1.00 0.00 H new ATOM 991 N LEU A 66 0.892 -11.676 11.649 1.00 0.00 N ATOM 992 CA LEU A 66 -0.509 -11.490 11.194 1.00 0.00 C ATOM 993 C LEU A 66 -0.938 -12.418 10.036 1.00 0.00 C ATOM 994 O LEU A 66 -1.778 -12.049 9.212 1.00 0.00 O ATOM 995 CB LEU A 66 -0.793 -10.006 10.854 1.00 0.00 C ATOM 996 CG LEU A 66 0.204 -9.276 9.921 1.00 0.00 C ATOM 997 CD1 LEU A 66 0.142 -9.805 8.487 1.00 0.00 C ATOM 998 CD2 LEU A 66 -0.056 -7.769 9.946 1.00 0.00 C ATOM 0 H LEU A 66 1.008 -11.536 12.653 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.126 -11.787 12.042 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.781 -9.950 10.398 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.843 -9.451 11.791 1.00 0.00 H new ATOM 0 HG LEU A 66 1.208 -9.474 10.295 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.858 -9.264 7.868 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.386 -10.867 8.480 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.863 -9.661 8.089 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.651 -7.267 9.286 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.073 -7.570 9.607 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.068 -7.395 10.962 1.00 0.00 H new ATOM 1010 N GLY A 67 -0.409 -13.637 10.013 1.00 0.00 N ATOM 1011 CA GLY A 67 -0.744 -14.584 8.954 1.00 0.00 C ATOM 1012 C GLY A 67 0.376 -14.751 7.933 1.00 0.00 C ATOM 1013 O GLY A 67 0.776 -13.793 7.269 1.00 0.00 O ATOM 0 H GLY A 67 0.248 -13.991 10.709 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -0.972 -15.553 9.398 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.647 -14.247 8.444 1.00 0.00 H new ATOM 1017 N GLU A 68 0.856 -15.982 7.776 1.00 0.00 N ATOM 1018 CA GLU A 68 1.991 -16.280 6.888 1.00 0.00 C ATOM 1019 C GLU A 68 1.699 -15.939 5.412 1.00 0.00 C ATOM 1020 O GLU A 68 2.563 -16.107 4.548 1.00 0.00 O ATOM 1021 CB GLU A 68 2.398 -17.759 7.017 1.00 0.00 C ATOM 1022 CG GLU A 68 2.997 -18.138 8.376 1.00 0.00 C ATOM 1023 CD GLU A 68 2.007 -18.037 9.528 1.00 0.00 C ATOM 1024 OE1 GLU A 68 1.196 -18.973 9.702 1.00 0.00 O ATOM 1025 OE2 GLU A 68 2.027 -17.026 10.263 1.00 0.00 O ATOM 0 H GLU A 68 0.477 -16.800 8.254 1.00 0.00 H new ATOM 0 HA GLU A 68 2.816 -15.643 7.207 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.522 -18.381 6.834 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.123 -17.993 6.237 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.378 -19.158 8.324 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.849 -17.490 8.582 1.00 0.00 H new ATOM 1032 N ASP A 69 0.489 -15.455 5.124 1.00 0.00 N ATOM 1033 CA ASP A 69 0.141 -14.991 3.779 1.00 0.00 C ATOM 1034 C ASP A 69 1.039 -13.818 3.341 1.00 0.00 C ATOM 1035 O ASP A 69 1.226 -13.580 2.149 1.00 0.00 O ATOM 1036 CB ASP A 69 -1.333 -14.577 3.722 1.00 0.00 C ATOM 1037 CG ASP A 69 -2.274 -15.735 4.006 1.00 0.00 C ATOM 1038 OD1 ASP A 69 -2.290 -16.700 3.212 1.00 0.00 O ATOM 1039 OD2 ASP A 69 -3.001 -15.685 5.017 1.00 0.00 O ATOM 0 H ASP A 69 -0.267 -15.374 5.804 1.00 0.00 H new ATOM 0 HA ASP A 69 0.305 -15.818 3.088 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.512 -13.782 4.446 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.554 -14.167 2.737 1.00 0.00 H new ATOM 1044 N LEU A 70 1.573 -13.077 4.311 1.00 0.00 N ATOM 1045 CA LEU A 70 2.538 -12.009 4.028 1.00 0.00 C ATOM 1046 C LEU A 70 3.961 -12.584 3.947 1.00 0.00 C ATOM 1047 O LEU A 70 4.556 -12.946 4.963 1.00 0.00 O ATOM 1048 CB LEU A 70 2.457 -10.920 5.108 1.00 0.00 C ATOM 1049 CG LEU A 70 3.447 -9.751 4.947 1.00 0.00 C ATOM 1050 CD1 LEU A 70 3.283 -9.082 3.584 1.00 0.00 C ATOM 1051 CD2 LEU A 70 3.268 -8.735 6.075 1.00 0.00 C ATOM 0 H LEU A 70 1.355 -13.195 5.301 1.00 0.00 H new ATOM 0 HA LEU A 70 2.292 -11.560 3.065 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.444 -10.517 5.117 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.625 -11.384 6.080 1.00 0.00 H new ATOM 0 HG LEU A 70 4.459 -10.152 5.005 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.993 -8.260 3.494 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.471 -9.811 2.796 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.268 -8.697 3.487 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.976 -7.917 5.944 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.252 -8.342 6.053 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.448 -9.221 7.034 1.00 0.00 H new ATOM 1063 N LYS A 71 4.497 -12.680 2.733 1.00 0.00 N ATOM 1064 CA LYS A 71 5.798 -13.323 2.507 1.00 0.00 C ATOM 1065 C LYS A 71 6.774 -12.402 1.753 1.00 0.00 C ATOM 1066 O LYS A 71 6.445 -11.864 0.697 1.00 0.00 O ATOM 1067 CB LYS A 71 5.582 -14.620 1.715 1.00 0.00 C ATOM 1068 CG LYS A 71 6.863 -15.382 1.390 1.00 0.00 C ATOM 1069 CD LYS A 71 6.587 -16.550 0.447 1.00 0.00 C ATOM 1070 CE LYS A 71 7.869 -17.223 -0.025 1.00 0.00 C ATOM 1071 NZ LYS A 71 7.607 -18.160 -1.147 1.00 0.00 N ATOM 0 H LYS A 71 4.054 -12.322 1.887 1.00 0.00 H new ATOM 0 HA LYS A 71 6.245 -13.541 3.477 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.920 -15.273 2.284 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.070 -14.381 0.783 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.586 -14.706 0.933 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.312 -15.753 2.311 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.959 -17.283 0.953 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.027 -16.193 -0.417 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.585 -16.464 -0.342 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.324 -17.764 0.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.429 -18.783 -1.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.768 -18.735 -0.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.440 -17.619 -2.019 1.00 0.00 H new ATOM 1085 N TRP A 72 7.980 -12.230 2.292 1.00 0.00 N ATOM 1086 CA TRP A 72 9.012 -11.411 1.641 1.00 0.00 C ATOM 1087 C TRP A 72 9.706 -12.186 0.509 1.00 0.00 C ATOM 1088 O TRP A 72 10.518 -13.078 0.766 1.00 0.00 O ATOM 1089 CB TRP A 72 10.053 -10.953 2.672 1.00 0.00 C ATOM 1090 CG TRP A 72 9.520 -9.967 3.667 1.00 0.00 C ATOM 1091 CD1 TRP A 72 8.777 -10.239 4.781 1.00 0.00 C ATOM 1092 CD2 TRP A 72 9.698 -8.546 3.640 1.00 0.00 C ATOM 1093 NE1 TRP A 72 8.478 -9.074 5.442 1.00 0.00 N ATOM 1094 CE2 TRP A 72 9.032 -8.021 4.762 1.00 0.00 C ATOM 1095 CE3 TRP A 72 10.355 -7.667 2.772 1.00 0.00 C ATOM 1096 CZ2 TRP A 72 9.005 -6.659 5.038 1.00 0.00 C ATOM 1097 CZ3 TRP A 72 10.328 -6.315 3.048 1.00 0.00 C ATOM 1098 CH2 TRP A 72 9.656 -5.821 4.173 1.00 0.00 C ATOM 0 H TRP A 72 8.270 -12.645 3.177 1.00 0.00 H new ATOM 0 HA TRP A 72 8.523 -10.538 1.208 1.00 0.00 H new ATOM 0 HB2 TRP A 72 10.432 -11.825 3.205 1.00 0.00 H new ATOM 0 HB3 TRP A 72 10.899 -10.507 2.148 1.00 0.00 H new ATOM 0 HD1 TRP A 72 8.470 -11.226 5.095 1.00 0.00 H new ATOM 0 HE1 TRP A 72 7.932 -9.003 6.301 1.00 0.00 H new ATOM 0 HE3 TRP A 72 10.874 -8.040 1.901 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 8.488 -6.275 5.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 10.833 -5.627 2.386 1.00 0.00 H new ATOM 0 HH2 TRP A 72 9.651 -4.758 4.362 1.00 0.00 H new ATOM 1109 N GLU A 73 9.383 -11.845 -0.741 1.00 0.00 N ATOM 1110 CA GLU A 73 9.959 -12.531 -1.907 1.00 0.00 C ATOM 1111 C GLU A 73 10.768 -11.569 -2.793 1.00 0.00 C ATOM 1112 O GLU A 73 10.301 -10.484 -3.150 1.00 0.00 O ATOM 1113 CB GLU A 73 8.844 -13.201 -2.726 1.00 0.00 C ATOM 1114 CG GLU A 73 8.032 -14.216 -1.925 1.00 0.00 C ATOM 1115 CD GLU A 73 7.013 -14.972 -2.762 1.00 0.00 C ATOM 1116 OE1 GLU A 73 5.941 -14.405 -3.056 1.00 0.00 O ATOM 1117 OE2 GLU A 73 7.271 -16.145 -3.113 1.00 0.00 O ATOM 0 H GLU A 73 8.727 -11.100 -0.975 1.00 0.00 H new ATOM 0 HA GLU A 73 10.646 -13.294 -1.540 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.174 -12.432 -3.111 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.286 -13.699 -3.589 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.713 -14.931 -1.463 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.515 -13.699 -1.116 1.00 0.00 H new ATOM 1124 N ALA A 74 11.985 -11.977 -3.146 1.00 0.00 N ATOM 1125 CA ALA A 74 12.867 -11.163 -3.989 1.00 0.00 C ATOM 1126 C ALA A 74 12.728 -11.550 -5.468 1.00 0.00 C ATOM 1127 O ALA A 74 13.064 -12.670 -5.860 1.00 0.00 O ATOM 1128 CB ALA A 74 14.315 -11.311 -3.530 1.00 0.00 C ATOM 0 H ALA A 74 12.387 -12.870 -2.861 1.00 0.00 H new ATOM 0 HA ALA A 74 12.570 -10.119 -3.887 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.961 -10.703 -4.163 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.404 -10.980 -2.495 1.00 0.00 H new ATOM 0 HB3 ALA A 74 14.615 -12.356 -3.604 1.00 0.00 H new ATOM 1134 N SER A 75 12.244 -10.621 -6.287 1.00 0.00 N ATOM 1135 CA SER A 75 11.999 -10.900 -7.709 1.00 0.00 C ATOM 1136 C SER A 75 13.301 -10.931 -8.527 1.00 0.00 C ATOM 1137 O SER A 75 14.386 -10.624 -8.018 1.00 0.00 O ATOM 1138 CB SER A 75 11.037 -9.863 -8.305 1.00 0.00 C ATOM 1139 OG SER A 75 10.681 -10.200 -9.638 1.00 0.00 O ATOM 0 H SER A 75 12.013 -9.671 -5.998 1.00 0.00 H new ATOM 0 HA SER A 75 11.546 -11.890 -7.765 1.00 0.00 H new ATOM 0 HB2 SER A 75 10.139 -9.801 -7.691 1.00 0.00 H new ATOM 0 HB3 SER A 75 11.504 -8.878 -8.288 1.00 0.00 H new ATOM 0 HG SER A 75 10.066 -9.524 -9.993 1.00 0.00 H new ATOM 1145 N ARG A 76 13.182 -11.308 -9.801 1.00 0.00 N ATOM 1146 CA ARG A 76 14.335 -11.406 -10.702 1.00 0.00 C ATOM 1147 C ARG A 76 14.978 -10.030 -10.951 1.00 0.00 C ATOM 1148 O ARG A 76 14.512 -9.242 -11.775 1.00 0.00 O ATOM 1149 CB ARG A 76 13.916 -12.065 -12.026 1.00 0.00 C ATOM 1150 CG ARG A 76 13.594 -13.552 -11.884 1.00 0.00 C ATOM 1151 CD ARG A 76 14.850 -14.379 -11.608 1.00 0.00 C ATOM 1152 NE ARG A 76 15.719 -14.457 -12.782 1.00 0.00 N ATOM 1153 CZ ARG A 76 16.835 -13.790 -12.932 1.00 0.00 C ATOM 1154 NH1 ARG A 76 17.292 -13.027 -11.986 1.00 0.00 N ATOM 1155 NH2 ARG A 76 17.506 -13.903 -14.028 1.00 0.00 N ATOM 0 H ARG A 76 12.292 -11.552 -10.236 1.00 0.00 H new ATOM 0 HA ARG A 76 15.088 -12.031 -10.222 1.00 0.00 H new ATOM 0 HB2 ARG A 76 13.042 -11.547 -12.421 1.00 0.00 H new ATOM 0 HB3 ARG A 76 14.717 -11.941 -12.755 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.880 -13.694 -11.073 1.00 0.00 H new ATOM 0 HG3 ARG A 76 13.116 -13.910 -12.796 1.00 0.00 H new ATOM 0 HD2 ARG A 76 15.400 -13.937 -10.777 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.563 -15.385 -11.301 1.00 0.00 H new ATOM 0 HE ARG A 76 15.434 -15.077 -13.540 1.00 0.00 H new ATOM 0 HH11 ARG A 76 16.779 -12.940 -11.108 1.00 0.00 H new ATOM 0 HH12 ARG A 76 18.164 -12.515 -12.120 1.00 0.00 H new ATOM 0 HH21 ARG A 76 17.166 -14.510 -14.774 1.00 0.00 H new ATOM 0 HH22 ARG A 76 18.376 -13.385 -14.149 1.00 0.00 H new ATOM 1169 N GLY A 77 16.046 -9.756 -10.210 1.00 0.00 N ATOM 1170 CA GLY A 77 16.729 -8.470 -10.291 1.00 0.00 C ATOM 1171 C GLY A 77 17.329 -8.053 -8.953 1.00 0.00 C ATOM 1172 O GLY A 77 18.381 -7.414 -8.905 1.00 0.00 O ATOM 0 H GLY A 77 16.459 -10.410 -9.544 1.00 0.00 H new ATOM 0 HA2 GLY A 77 17.519 -8.526 -11.040 1.00 0.00 H new ATOM 0 HA3 GLY A 77 16.026 -7.707 -10.626 1.00 0.00 H new ATOM 1176 N GLY A 78 16.660 -8.427 -7.862 1.00 0.00 N ATOM 1177 CA GLY A 78 17.151 -8.100 -6.525 1.00 0.00 C ATOM 1178 C GLY A 78 16.085 -7.488 -5.619 1.00 0.00 C ATOM 1179 O GLY A 78 16.148 -7.631 -4.397 1.00 0.00 O ATOM 0 H GLY A 78 15.785 -8.951 -7.877 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.539 -9.005 -6.057 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.985 -7.404 -6.613 1.00 0.00 H new ATOM 1183 N ALA A 79 15.107 -6.806 -6.219 1.00 0.00 N ATOM 1184 CA ALA A 79 14.032 -6.140 -5.467 1.00 0.00 C ATOM 1185 C ALA A 79 13.245 -7.117 -4.573 1.00 0.00 C ATOM 1186 O ALA A 79 12.696 -8.114 -5.047 1.00 0.00 O ATOM 1187 CB ALA A 79 13.089 -5.428 -6.430 1.00 0.00 C ATOM 0 H ALA A 79 15.034 -6.698 -7.231 1.00 0.00 H new ATOM 0 HA ALA A 79 14.501 -5.411 -4.806 1.00 0.00 H new ATOM 0 HB1 ALA A 79 12.296 -4.937 -5.866 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.645 -4.682 -6.999 1.00 0.00 H new ATOM 0 HB3 ALA A 79 12.651 -6.155 -7.115 1.00 0.00 H new ATOM 1193 N ARG A 80 13.189 -6.810 -3.279 1.00 0.00 N ATOM 1194 CA ARG A 80 12.513 -7.662 -2.292 1.00 0.00 C ATOM 1195 C ARG A 80 11.091 -7.157 -2.000 1.00 0.00 C ATOM 1196 O ARG A 80 10.899 -6.247 -1.192 1.00 0.00 O ATOM 1197 CB ARG A 80 13.327 -7.682 -0.994 1.00 0.00 C ATOM 1198 CG ARG A 80 14.759 -8.182 -1.169 1.00 0.00 C ATOM 1199 CD ARG A 80 15.647 -7.746 -0.009 1.00 0.00 C ATOM 1200 NE ARG A 80 15.722 -6.289 0.090 1.00 0.00 N ATOM 1201 CZ ARG A 80 16.115 -5.639 1.149 1.00 0.00 C ATOM 1202 NH1 ARG A 80 16.487 -6.274 2.218 1.00 0.00 N ATOM 1203 NH2 ARG A 80 16.136 -4.346 1.136 1.00 0.00 N ATOM 0 H ARG A 80 13.607 -5.969 -2.882 1.00 0.00 H new ATOM 0 HA ARG A 80 12.438 -8.669 -2.702 1.00 0.00 H new ATOM 0 HB2 ARG A 80 13.353 -6.675 -0.577 1.00 0.00 H new ATOM 0 HB3 ARG A 80 12.818 -8.315 -0.267 1.00 0.00 H new ATOM 0 HG2 ARG A 80 14.760 -9.270 -1.241 1.00 0.00 H new ATOM 0 HG3 ARG A 80 15.167 -7.800 -2.105 1.00 0.00 H new ATOM 0 HD2 ARG A 80 15.257 -8.155 0.923 1.00 0.00 H new ATOM 0 HD3 ARG A 80 16.649 -8.155 -0.142 1.00 0.00 H new ATOM 0 HE ARG A 80 15.448 -5.743 -0.727 1.00 0.00 H new ATOM 0 HH11 ARG A 80 16.474 -7.294 2.236 1.00 0.00 H new ATOM 0 HH12 ARG A 80 16.792 -5.753 3.040 1.00 0.00 H new ATOM 0 HH21 ARG A 80 15.846 -3.840 0.299 1.00 0.00 H new ATOM 0 HH22 ARG A 80 16.443 -3.833 1.962 1.00 0.00 H new ATOM 1217 N PHE A 81 10.097 -7.739 -2.662 1.00 0.00 N ATOM 1218 CA PHE A 81 8.700 -7.321 -2.482 1.00 0.00 C ATOM 1219 C PHE A 81 7.901 -8.327 -1.635 1.00 0.00 C ATOM 1220 O PHE A 81 7.662 -9.459 -2.061 1.00 0.00 O ATOM 1221 CB PHE A 81 8.011 -7.137 -3.845 1.00 0.00 C ATOM 1222 CG PHE A 81 8.513 -5.950 -4.633 1.00 0.00 C ATOM 1223 CD1 PHE A 81 8.214 -4.655 -4.226 1.00 0.00 C ATOM 1224 CD2 PHE A 81 9.271 -6.124 -5.784 1.00 0.00 C ATOM 1225 CE1 PHE A 81 8.661 -3.564 -4.949 1.00 0.00 C ATOM 1226 CE2 PHE A 81 9.720 -5.036 -6.507 1.00 0.00 C ATOM 1227 CZ PHE A 81 9.414 -3.754 -6.089 1.00 0.00 C ATOM 0 H PHE A 81 10.226 -8.501 -3.328 1.00 0.00 H new ATOM 0 HA PHE A 81 8.719 -6.370 -1.950 1.00 0.00 H new ATOM 0 HB2 PHE A 81 8.155 -8.040 -4.438 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.938 -7.027 -3.686 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.625 -4.499 -3.334 1.00 0.00 H new ATOM 0 HD2 PHE A 81 9.512 -7.122 -6.118 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.421 -2.563 -4.621 1.00 0.00 H new ATOM 0 HE2 PHE A 81 10.310 -5.187 -7.399 1.00 0.00 H new ATOM 0 HZ PHE A 81 9.764 -2.903 -6.654 1.00 0.00 H new ATOM 1237 N PRO A 82 7.476 -7.931 -0.416 1.00 0.00 N ATOM 1238 CA PRO A 82 6.584 -8.760 0.407 1.00 0.00 C ATOM 1239 C PRO A 82 5.211 -8.953 -0.258 1.00 0.00 C ATOM 1240 O PRO A 82 4.416 -8.015 -0.358 1.00 0.00 O ATOM 1241 CB PRO A 82 6.456 -7.975 1.724 1.00 0.00 C ATOM 1242 CG PRO A 82 6.837 -6.572 1.380 1.00 0.00 C ATOM 1243 CD PRO A 82 7.841 -6.672 0.261 1.00 0.00 C ATOM 0 HA PRO A 82 6.976 -9.767 0.552 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.439 -8.023 2.114 1.00 0.00 H new ATOM 0 HB3 PRO A 82 7.112 -8.384 2.492 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.965 -5.996 1.070 1.00 0.00 H new ATOM 0 HG3 PRO A 82 7.265 -6.062 2.243 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.776 -5.819 -0.415 1.00 0.00 H new ATOM 0 HD3 PRO A 82 8.863 -6.701 0.640 1.00 0.00 H new ATOM 1251 N HIS A 83 4.955 -10.164 -0.744 1.00 0.00 N ATOM 1252 CA HIS A 83 3.693 -10.482 -1.412 1.00 0.00 C ATOM 1253 C HIS A 83 2.647 -10.998 -0.414 1.00 0.00 C ATOM 1254 O HIS A 83 2.899 -11.941 0.338 1.00 0.00 O ATOM 1255 CB HIS A 83 3.925 -11.518 -2.519 1.00 0.00 C ATOM 1256 CG HIS A 83 4.857 -11.045 -3.597 1.00 0.00 C ATOM 1257 ND1 HIS A 83 5.905 -11.798 -4.073 1.00 0.00 N ATOM 1258 CD2 HIS A 83 4.875 -9.895 -4.314 1.00 0.00 C ATOM 1259 CE1 HIS A 83 6.529 -11.139 -5.024 1.00 0.00 C ATOM 1260 NE2 HIS A 83 5.925 -9.980 -5.195 1.00 0.00 N ATOM 0 H HIS A 83 5.607 -10.946 -0.688 1.00 0.00 H new ATOM 0 HA HIS A 83 3.309 -9.564 -1.857 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.328 -12.428 -2.075 1.00 0.00 H new ATOM 0 HB3 HIS A 83 2.967 -11.780 -2.967 1.00 0.00 H new ATOM 0 HD1 HIS A 83 6.160 -12.727 -3.739 1.00 0.00 H new ATOM 0 HD2 HIS A 83 4.191 -9.066 -4.212 1.00 0.00 H new ATOM 0 HE1 HIS A 83 7.391 -11.488 -5.573 1.00 0.00 H new ATOM 1269 N LEU A 84 1.480 -10.366 -0.410 1.00 0.00 N ATOM 1270 CA LEU A 84 0.380 -10.770 0.464 1.00 0.00 C ATOM 1271 C LEU A 84 -0.599 -11.685 -0.293 1.00 0.00 C ATOM 1272 O LEU A 84 -1.282 -11.249 -1.222 1.00 0.00 O ATOM 1273 CB LEU A 84 -0.359 -9.526 1.002 1.00 0.00 C ATOM 1274 CG LEU A 84 -0.621 -9.507 2.521 1.00 0.00 C ATOM 1275 CD1 LEU A 84 -1.460 -8.292 2.909 1.00 0.00 C ATOM 1276 CD2 LEU A 84 -1.296 -10.796 2.980 1.00 0.00 C ATOM 0 H LEU A 84 1.268 -9.566 -1.006 1.00 0.00 H new ATOM 0 HA LEU A 84 0.792 -11.325 1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.221 -8.641 0.741 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.316 -9.443 0.486 1.00 0.00 H new ATOM 0 HG LEU A 84 0.343 -9.435 3.025 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.633 -8.298 3.985 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.930 -7.381 2.632 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.416 -8.329 2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.468 -10.754 4.055 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.249 -10.911 2.464 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.653 -11.646 2.749 1.00 0.00 H new ATOM 1288 N TYR A 85 -0.664 -12.952 0.107 1.00 0.00 N ATOM 1289 CA TYR A 85 -1.580 -13.918 -0.516 1.00 0.00 C ATOM 1290 C TYR A 85 -3.025 -13.746 0.000 1.00 0.00 C ATOM 1291 O TYR A 85 -3.923 -14.502 -0.375 1.00 0.00 O ATOM 1292 CB TYR A 85 -1.103 -15.354 -0.246 1.00 0.00 C ATOM 1293 CG TYR A 85 0.333 -15.627 -0.669 1.00 0.00 C ATOM 1294 CD1 TYR A 85 0.713 -15.575 -2.007 1.00 0.00 C ATOM 1295 CD2 TYR A 85 1.305 -15.946 0.273 1.00 0.00 C ATOM 1296 CE1 TYR A 85 2.019 -15.833 -2.390 1.00 0.00 C ATOM 1297 CE2 TYR A 85 2.609 -16.202 -0.102 1.00 0.00 C ATOM 1298 CZ TYR A 85 2.962 -16.145 -1.433 1.00 0.00 C ATOM 1299 OH TYR A 85 4.263 -16.407 -1.803 1.00 0.00 O ATOM 0 H TYR A 85 -0.095 -13.339 0.860 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.577 -13.728 -1.589 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.202 -15.563 0.819 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -1.762 -16.047 -0.769 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -0.022 -15.329 -2.759 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.035 -15.994 1.318 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.297 -15.790 -3.433 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.350 -16.446 0.645 1.00 0.00 H new ATOM 0 HH TYR A 85 4.645 -15.616 -2.237 1.00 0.00 H new ATOM 1309 N ARG A 86 -3.235 -12.740 0.849 1.00 0.00 N ATOM 1310 CA ARG A 86 -4.542 -12.477 1.469 1.00 0.00 C ATOM 1311 C ARG A 86 -5.058 -11.076 1.077 1.00 0.00 C ATOM 1312 O ARG A 86 -4.271 -10.132 1.004 1.00 0.00 O ATOM 1313 CB ARG A 86 -4.393 -12.555 3.000 1.00 0.00 C ATOM 1314 CG ARG A 86 -5.701 -12.440 3.781 1.00 0.00 C ATOM 1315 CD ARG A 86 -6.474 -13.754 3.792 1.00 0.00 C ATOM 1316 NE ARG A 86 -5.721 -14.818 4.455 1.00 0.00 N ATOM 1317 CZ ARG A 86 -6.257 -15.786 5.144 1.00 0.00 C ATOM 1318 NH1 ARG A 86 -7.543 -15.876 5.281 1.00 0.00 N ATOM 1319 NH2 ARG A 86 -5.492 -16.667 5.696 1.00 0.00 N ATOM 0 H ARG A 86 -2.507 -12.083 1.129 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.257 -13.222 1.119 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.916 -13.501 3.256 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.721 -11.761 3.326 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -5.486 -12.136 4.806 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -6.320 -11.659 3.340 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -7.427 -13.611 4.301 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.700 -14.052 2.768 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.704 -14.801 4.372 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -8.152 -15.183 4.846 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.946 -16.640 5.824 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.480 -16.601 5.591 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.900 -17.429 6.238 1.00 0.00 H new ATOM 1333 N PRO A 87 -6.375 -10.920 0.801 1.00 0.00 N ATOM 1334 CA PRO A 87 -6.985 -9.591 0.560 1.00 0.00 C ATOM 1335 C PRO A 87 -6.689 -8.591 1.697 1.00 0.00 C ATOM 1336 O PRO A 87 -6.739 -8.949 2.877 1.00 0.00 O ATOM 1337 CB PRO A 87 -8.487 -9.903 0.489 1.00 0.00 C ATOM 1338 CG PRO A 87 -8.550 -11.323 0.039 1.00 0.00 C ATOM 1339 CD PRO A 87 -7.366 -12.006 0.673 1.00 0.00 C ATOM 0 HA PRO A 87 -6.591 -9.116 -0.338 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -8.966 -9.772 1.459 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -8.998 -9.241 -0.211 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -9.484 -11.791 0.350 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -8.505 -11.391 -1.048 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -7.621 -12.434 1.642 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -6.992 -12.821 0.053 1.00 0.00 H new ATOM 1347 N LEU A 88 -6.398 -7.337 1.345 1.00 0.00 N ATOM 1348 CA LEU A 88 -5.962 -6.348 2.337 1.00 0.00 C ATOM 1349 C LEU A 88 -7.164 -5.618 2.953 1.00 0.00 C ATOM 1350 O LEU A 88 -7.795 -4.780 2.314 1.00 0.00 O ATOM 1351 CB LEU A 88 -4.982 -5.347 1.687 1.00 0.00 C ATOM 1352 CG LEU A 88 -4.126 -4.498 2.656 1.00 0.00 C ATOM 1353 CD1 LEU A 88 -2.975 -3.837 1.905 1.00 0.00 C ATOM 1354 CD2 LEU A 88 -4.961 -3.432 3.366 1.00 0.00 C ATOM 0 H LEU A 88 -6.455 -6.983 0.390 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.446 -6.869 3.143 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.309 -5.902 1.033 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.555 -4.670 1.054 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.727 -5.172 3.414 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.381 -3.243 2.599 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.346 -4.605 1.454 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.374 -3.190 1.124 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.323 -2.857 4.037 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.404 -2.765 2.627 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.752 -3.913 3.941 1.00 0.00 H new ATOM 1366 N LEU A 89 -7.474 -5.935 4.201 1.00 0.00 N ATOM 1367 CA LEU A 89 -8.562 -5.265 4.918 1.00 0.00 C ATOM 1368 C LEU A 89 -8.086 -3.896 5.436 1.00 0.00 C ATOM 1369 O LEU A 89 -7.028 -3.804 6.056 1.00 0.00 O ATOM 1370 CB LEU A 89 -9.035 -6.140 6.088 1.00 0.00 C ATOM 1371 CG LEU A 89 -9.375 -7.601 5.730 1.00 0.00 C ATOM 1372 CD1 LEU A 89 -9.792 -8.382 6.976 1.00 0.00 C ATOM 1373 CD2 LEU A 89 -10.465 -7.665 4.660 1.00 0.00 C ATOM 0 H LEU A 89 -6.991 -6.651 4.743 1.00 0.00 H new ATOM 0 HA LEU A 89 -9.397 -5.111 4.234 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -8.259 -6.143 6.853 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -9.917 -5.678 6.531 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.477 -8.064 5.322 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -10.027 -9.410 6.699 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.975 -8.378 7.698 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.671 -7.916 7.420 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.685 -8.707 4.427 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -11.367 -7.178 5.030 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.121 -7.156 3.759 1.00 0.00 H new ATOM 1385 N VAL A 90 -8.855 -2.831 5.192 1.00 0.00 N ATOM 1386 CA VAL A 90 -8.439 -1.487 5.588 1.00 0.00 C ATOM 1387 C VAL A 90 -8.312 -1.355 7.114 1.00 0.00 C ATOM 1388 O VAL A 90 -7.586 -0.496 7.617 1.00 0.00 O ATOM 1389 CB VAL A 90 -9.420 -0.426 5.046 1.00 0.00 C ATOM 1390 CG1 VAL A 90 -9.585 -0.578 3.538 1.00 0.00 C ATOM 1391 CG2 VAL A 90 -10.767 -0.497 5.762 1.00 0.00 C ATOM 0 H VAL A 90 -9.761 -2.874 4.726 1.00 0.00 H new ATOM 0 HA VAL A 90 -7.455 -1.315 5.152 1.00 0.00 H new ATOM 0 HB VAL A 90 -9.001 0.560 5.246 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -10.280 0.177 3.170 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -8.618 -0.449 3.051 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.975 -1.571 3.313 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -11.435 0.263 5.357 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -11.207 -1.483 5.613 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.622 -0.322 6.828 1.00 0.00 H new ATOM 1401 N SER A 91 -9.009 -2.226 7.840 1.00 0.00 N ATOM 1402 CA SER A 91 -8.913 -2.275 9.307 1.00 0.00 C ATOM 1403 C SER A 91 -7.522 -2.740 9.766 1.00 0.00 C ATOM 1404 O SER A 91 -7.151 -2.566 10.926 1.00 0.00 O ATOM 1405 CB SER A 91 -9.988 -3.209 9.881 1.00 0.00 C ATOM 1406 OG SER A 91 -11.293 -2.755 9.551 1.00 0.00 O ATOM 0 H SER A 91 -9.650 -2.912 7.440 1.00 0.00 H new ATOM 0 HA SER A 91 -9.074 -1.264 9.681 1.00 0.00 H new ATOM 0 HB2 SER A 91 -9.842 -4.217 9.493 1.00 0.00 H new ATOM 0 HB3 SER A 91 -9.883 -3.266 10.964 1.00 0.00 H new ATOM 0 HG SER A 91 -11.958 -3.369 9.927 1.00 0.00 H new ATOM 1412 N GLU A 92 -6.755 -3.328 8.847 1.00 0.00 N ATOM 1413 CA GLU A 92 -5.392 -3.790 9.149 1.00 0.00 C ATOM 1414 C GLU A 92 -4.381 -2.632 9.082 1.00 0.00 C ATOM 1415 O GLU A 92 -3.275 -2.730 9.613 1.00 0.00 O ATOM 1416 CB GLU A 92 -4.965 -4.896 8.166 1.00 0.00 C ATOM 1417 CG GLU A 92 -5.853 -6.138 8.178 1.00 0.00 C ATOM 1418 CD GLU A 92 -5.831 -6.885 9.505 1.00 0.00 C ATOM 1419 OE1 GLU A 92 -4.771 -7.445 9.861 1.00 0.00 O ATOM 1420 OE2 GLU A 92 -6.876 -6.936 10.186 1.00 0.00 O ATOM 0 H GLU A 92 -7.051 -3.497 7.886 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.400 -4.189 10.163 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.955 -4.483 7.157 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.943 -5.195 8.398 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -6.878 -5.845 7.952 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -5.532 -6.813 7.384 1.00 0.00 H new ATOM 1427 N VAL A 93 -4.767 -1.539 8.424 1.00 0.00 N ATOM 1428 CA VAL A 93 -3.870 -0.395 8.233 1.00 0.00 C ATOM 1429 C VAL A 93 -3.624 0.367 9.548 1.00 0.00 C ATOM 1430 O VAL A 93 -4.555 0.909 10.152 1.00 0.00 O ATOM 1431 CB VAL A 93 -4.424 0.583 7.162 1.00 0.00 C ATOM 1432 CG1 VAL A 93 -3.464 1.751 6.938 1.00 0.00 C ATOM 1433 CG2 VAL A 93 -4.704 -0.156 5.850 1.00 0.00 C ATOM 0 H VAL A 93 -5.693 -1.420 8.014 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.919 -0.800 7.887 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.365 0.992 7.530 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.876 2.421 6.183 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.330 2.296 7.872 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.501 1.370 6.598 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.092 0.547 5.112 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.781 -0.600 5.478 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -5.439 -0.941 6.025 1.00 0.00 H new ATOM 1443 N THR A 94 -2.364 0.402 9.986 1.00 0.00 N ATOM 1444 CA THR A 94 -1.981 1.114 11.214 1.00 0.00 C ATOM 1445 C THR A 94 -2.298 2.616 11.112 1.00 0.00 C ATOM 1446 O THR A 94 -2.867 3.209 12.033 1.00 0.00 O ATOM 1447 CB THR A 94 -0.473 0.930 11.518 1.00 0.00 C ATOM 1448 OG1 THR A 94 -0.144 -0.469 11.557 1.00 0.00 O ATOM 1449 CG2 THR A 94 -0.088 1.570 12.847 1.00 0.00 C ATOM 0 H THR A 94 -1.587 -0.055 9.509 1.00 0.00 H new ATOM 0 HA THR A 94 -2.565 0.684 12.027 1.00 0.00 H new ATOM 0 HB THR A 94 0.085 1.423 10.721 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.402 -0.842 12.426 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.977 1.421 13.028 1.00 0.00 H new ATOM 0 HG22 THR A 94 -0.305 2.638 12.813 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.660 1.109 13.652 1.00 0.00 H new ATOM 1457 N ARG A 95 -1.919 3.224 9.989 1.00 0.00 N ATOM 1458 CA ARG A 95 -2.246 4.629 9.712 1.00 0.00 C ATOM 1459 C ARG A 95 -2.162 4.921 8.204 1.00 0.00 C ATOM 1460 O ARG A 95 -1.367 4.316 7.490 1.00 0.00 O ATOM 1461 CB ARG A 95 -1.301 5.573 10.476 1.00 0.00 C ATOM 1462 CG ARG A 95 -1.691 7.049 10.370 1.00 0.00 C ATOM 1463 CD ARG A 95 -0.690 7.962 11.071 1.00 0.00 C ATOM 1464 NE ARG A 95 -0.487 7.590 12.468 1.00 0.00 N ATOM 1465 CZ ARG A 95 0.428 8.111 13.238 1.00 0.00 C ATOM 1466 NH1 ARG A 95 1.184 9.075 12.816 1.00 0.00 N ATOM 1467 NH2 ARG A 95 0.571 7.682 14.447 1.00 0.00 N ATOM 0 H ARG A 95 -1.383 2.767 9.251 1.00 0.00 H new ATOM 0 HA ARG A 95 -3.267 4.805 10.050 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.285 5.285 11.527 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -0.288 5.445 10.095 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.762 7.330 9.319 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -2.679 7.194 10.806 1.00 0.00 H new ATOM 0 HD2 ARG A 95 0.264 7.924 10.545 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -1.042 8.992 11.019 1.00 0.00 H new ATOM 0 HE ARG A 95 -1.099 6.878 12.867 1.00 0.00 H new ATOM 0 HH11 ARG A 95 1.068 9.437 11.869 1.00 0.00 H new ATOM 0 HH12 ARG A 95 1.895 9.472 13.430 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -0.031 6.937 14.798 1.00 0.00 H new ATOM 0 HH22 ARG A 95 1.286 8.088 15.051 1.00 0.00 H new ATOM 1481 N GLU A 96 -2.985 5.842 7.726 1.00 0.00 N ATOM 1482 CA GLU A 96 -2.964 6.242 6.314 1.00 0.00 C ATOM 1483 C GLU A 96 -3.001 7.768 6.171 1.00 0.00 C ATOM 1484 O GLU A 96 -3.464 8.471 7.068 1.00 0.00 O ATOM 1485 CB GLU A 96 -4.131 5.582 5.551 1.00 0.00 C ATOM 1486 CG GLU A 96 -5.501 5.705 6.226 1.00 0.00 C ATOM 1487 CD GLU A 96 -6.131 7.086 6.099 1.00 0.00 C ATOM 1488 OE1 GLU A 96 -6.463 7.490 4.964 1.00 0.00 O ATOM 1489 OE2 GLU A 96 -6.330 7.760 7.134 1.00 0.00 O ATOM 0 H GLU A 96 -3.679 6.331 8.291 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.029 5.895 5.874 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -4.192 6.025 4.557 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -3.904 4.525 5.415 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.176 4.967 5.792 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -5.397 5.460 7.283 1.00 0.00 H new ATOM 1496 N ALA A 97 -2.484 8.276 5.056 1.00 0.00 N ATOM 1497 CA ALA A 97 -2.492 9.720 4.793 1.00 0.00 C ATOM 1498 C ALA A 97 -2.146 10.033 3.333 1.00 0.00 C ATOM 1499 O ALA A 97 -1.411 9.288 2.684 1.00 0.00 O ATOM 1500 CB ALA A 97 -1.518 10.440 5.727 1.00 0.00 C ATOM 0 H ALA A 97 -2.055 7.715 4.320 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.503 10.080 4.983 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -1.537 11.510 5.518 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.812 10.267 6.762 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -0.510 10.057 5.567 1.00 0.00 H new ATOM 1506 N ASP A 98 -2.687 11.132 2.820 1.00 0.00 N ATOM 1507 CA ASP A 98 -2.359 11.597 1.469 1.00 0.00 C ATOM 1508 C ASP A 98 -0.885 12.037 1.384 1.00 0.00 C ATOM 1509 O ASP A 98 -0.427 12.891 2.148 1.00 0.00 O ATOM 1510 CB ASP A 98 -3.310 12.732 1.050 1.00 0.00 C ATOM 1511 CG ASP A 98 -3.442 13.819 2.106 1.00 0.00 C ATOM 1512 OD1 ASP A 98 -3.997 13.534 3.191 1.00 0.00 O ATOM 1513 OD2 ASP A 98 -3.011 14.964 1.857 1.00 0.00 O ATOM 0 H ASP A 98 -3.356 11.721 3.316 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.494 10.769 0.773 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -2.949 13.177 0.122 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -4.295 12.315 0.842 1.00 0.00 H new ATOM 1518 N LEU A 99 -0.150 11.433 0.458 1.00 0.00 N ATOM 1519 CA LEU A 99 1.296 11.651 0.331 1.00 0.00 C ATOM 1520 C LEU A 99 1.608 12.982 -0.376 1.00 0.00 C ATOM 1521 O LEU A 99 1.090 13.256 -1.458 1.00 0.00 O ATOM 1522 CB LEU A 99 1.921 10.477 -0.438 1.00 0.00 C ATOM 1523 CG LEU A 99 3.447 10.533 -0.624 1.00 0.00 C ATOM 1524 CD1 LEU A 99 4.163 10.573 0.727 1.00 0.00 C ATOM 1525 CD2 LEU A 99 3.919 9.343 -1.456 1.00 0.00 C ATOM 0 H LEU A 99 -0.532 10.780 -0.226 1.00 0.00 H new ATOM 0 HA LEU A 99 1.726 11.706 1.331 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.671 9.553 0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 99 1.456 10.424 -1.422 1.00 0.00 H new ATOM 0 HG LEU A 99 3.696 11.450 -1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 99 5.240 10.612 0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.846 11.457 1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.913 9.678 1.298 1.00 0.00 H new ATOM 0 HD21 LEU A 99 5.001 9.393 -1.581 1.00 0.00 H new ATOM 0 HD22 LEU A 99 3.655 8.416 -0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.439 9.370 -2.434 1.00 0.00 H new ATOM 1537 N ASP A 100 2.464 13.799 0.241 1.00 0.00 N ATOM 1538 CA ASP A 100 2.822 15.109 -0.311 1.00 0.00 C ATOM 1539 C ASP A 100 4.084 15.019 -1.196 1.00 0.00 C ATOM 1540 O ASP A 100 4.906 14.113 -1.039 1.00 0.00 O ATOM 1541 CB ASP A 100 3.033 16.113 0.831 1.00 0.00 C ATOM 1542 CG ASP A 100 3.100 17.547 0.338 1.00 0.00 C ATOM 1543 OD1 ASP A 100 2.264 17.925 -0.506 1.00 0.00 O ATOM 1544 OD2 ASP A 100 3.968 18.312 0.804 1.00 0.00 O ATOM 0 H ASP A 100 2.923 13.577 1.124 1.00 0.00 H new ATOM 0 HA ASP A 100 2.002 15.453 -0.942 1.00 0.00 H new ATOM 0 HB2 ASP A 100 2.220 16.017 1.550 1.00 0.00 H new ATOM 0 HB3 ASP A 100 3.955 15.870 1.359 1.00 0.00 H new ATOM 1549 N LEU A 101 4.234 15.972 -2.118 1.00 0.00 N ATOM 1550 CA LEU A 101 5.340 15.955 -3.089 1.00 0.00 C ATOM 1551 C LEU A 101 6.482 16.904 -2.680 1.00 0.00 C ATOM 1552 O LEU A 101 6.381 17.637 -1.699 1.00 0.00 O ATOM 1553 CB LEU A 101 4.817 16.341 -4.481 1.00 0.00 C ATOM 1554 CG LEU A 101 3.666 15.476 -5.022 1.00 0.00 C ATOM 1555 CD1 LEU A 101 3.255 15.947 -6.415 1.00 0.00 C ATOM 1556 CD2 LEU A 101 4.056 13.997 -5.041 1.00 0.00 C ATOM 0 H LEU A 101 3.604 16.768 -2.216 1.00 0.00 H new ATOM 0 HA LEU A 101 5.744 14.943 -3.111 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.484 17.378 -4.450 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.646 16.294 -5.187 1.00 0.00 H new ATOM 0 HG LEU A 101 2.811 15.588 -4.355 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.440 15.325 -6.784 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.926 16.985 -6.366 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.106 15.868 -7.092 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.225 13.407 -5.428 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.928 13.859 -5.680 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.293 13.670 -4.029 1.00 0.00 H new ATOM 1568 N ASP A 102 7.574 16.873 -3.442 1.00 0.00 N ATOM 1569 CA ASP A 102 8.735 17.741 -3.195 1.00 0.00 C ATOM 1570 C ASP A 102 8.748 18.949 -4.156 1.00 0.00 C ATOM 1571 O ASP A 102 7.943 19.024 -5.086 1.00 0.00 O ATOM 1572 CB ASP A 102 10.015 16.913 -3.361 1.00 0.00 C ATOM 1573 CG ASP A 102 11.281 17.720 -3.174 1.00 0.00 C ATOM 1574 OD1 ASP A 102 11.602 18.071 -2.025 1.00 0.00 O ATOM 1575 OD2 ASP A 102 11.949 18.019 -4.184 1.00 0.00 O ATOM 0 H ASP A 102 7.684 16.252 -4.244 1.00 0.00 H new ATOM 0 HA ASP A 102 8.674 18.134 -2.180 1.00 0.00 H new ATOM 0 HB2 ASP A 102 10.005 16.094 -2.641 1.00 0.00 H new ATOM 0 HB3 ASP A 102 10.022 16.464 -4.354 1.00 0.00 H new ATOM 1580 N ALA A 103 9.679 19.881 -3.935 1.00 0.00 N ATOM 1581 CA ALA A 103 9.868 21.035 -4.827 1.00 0.00 C ATOM 1582 C ALA A 103 10.026 20.597 -6.295 1.00 0.00 C ATOM 1583 O ALA A 103 9.602 21.298 -7.214 1.00 0.00 O ATOM 1584 CB ALA A 103 11.083 21.843 -4.380 1.00 0.00 C ATOM 0 H ALA A 103 10.319 19.861 -3.141 1.00 0.00 H new ATOM 0 HA ALA A 103 8.977 21.659 -4.765 1.00 0.00 H new ATOM 0 HB1 ALA A 103 11.217 22.696 -5.045 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.929 22.198 -3.361 1.00 0.00 H new ATOM 0 HB3 ALA A 103 11.972 21.213 -4.414 1.00 0.00 H new ATOM 1590 N ASP A 104 10.636 19.429 -6.508 1.00 0.00 N ATOM 1591 CA ASP A 104 10.757 18.847 -7.850 1.00 0.00 C ATOM 1592 C ASP A 104 9.503 18.029 -8.201 1.00 0.00 C ATOM 1593 O ASP A 104 9.122 17.912 -9.366 1.00 0.00 O ATOM 1594 CB ASP A 104 12.003 17.952 -7.921 1.00 0.00 C ATOM 1595 CG ASP A 104 12.215 17.348 -9.304 1.00 0.00 C ATOM 1596 OD1 ASP A 104 11.635 16.282 -9.596 1.00 0.00 O ATOM 1597 OD2 ASP A 104 12.960 17.941 -10.109 1.00 0.00 O ATOM 0 H ASP A 104 11.055 18.865 -5.768 1.00 0.00 H new ATOM 0 HA ASP A 104 10.855 19.658 -8.572 1.00 0.00 H new ATOM 0 HB2 ASP A 104 12.881 18.536 -7.646 1.00 0.00 H new ATOM 0 HB3 ASP A 104 11.911 17.150 -7.189 1.00 0.00 H new ATOM 1602 N GLY A 105 8.862 17.481 -7.173 1.00 0.00 N ATOM 1603 CA GLY A 105 7.729 16.586 -7.368 1.00 0.00 C ATOM 1604 C GLY A 105 7.931 15.230 -6.699 1.00 0.00 C ATOM 1605 O GLY A 105 6.966 14.548 -6.363 1.00 0.00 O ATOM 0 H GLY A 105 9.109 17.642 -6.197 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.829 17.053 -6.969 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.566 16.440 -8.436 1.00 0.00 H new ATOM 1609 N VAL A 106 9.195 14.859 -6.485 1.00 0.00 N ATOM 1610 CA VAL A 106 9.552 13.551 -5.916 1.00 0.00 C ATOM 1611 C VAL A 106 8.936 13.330 -4.517 1.00 0.00 C ATOM 1612 O VAL A 106 9.215 14.084 -3.582 1.00 0.00 O ATOM 1613 CB VAL A 106 11.092 13.392 -5.813 1.00 0.00 C ATOM 1614 CG1 VAL A 106 11.470 12.003 -5.293 1.00 0.00 C ATOM 1615 CG2 VAL A 106 11.758 13.671 -7.162 1.00 0.00 C ATOM 0 H VAL A 106 9.998 15.450 -6.699 1.00 0.00 H new ATOM 0 HA VAL A 106 9.144 12.803 -6.596 1.00 0.00 H new ATOM 0 HB VAL A 106 11.458 14.126 -5.096 1.00 0.00 H new ATOM 0 HG11 VAL A 106 12.555 11.920 -5.231 1.00 0.00 H new ATOM 0 HG12 VAL A 106 11.038 11.855 -4.303 1.00 0.00 H new ATOM 0 HG13 VAL A 106 11.086 11.243 -5.974 1.00 0.00 H new ATOM 0 HG21 VAL A 106 12.837 13.554 -7.066 1.00 0.00 H new ATOM 0 HG22 VAL A 106 11.381 12.969 -7.906 1.00 0.00 H new ATOM 0 HG23 VAL A 106 11.530 14.690 -7.476 1.00 0.00 H new ATOM 1625 N PRO A 107 8.089 12.295 -4.355 1.00 0.00 N ATOM 1626 CA PRO A 107 7.494 11.953 -3.048 1.00 0.00 C ATOM 1627 C PRO A 107 8.555 11.634 -1.972 1.00 0.00 C ATOM 1628 O PRO A 107 9.252 10.615 -2.035 1.00 0.00 O ATOM 1629 CB PRO A 107 6.637 10.715 -3.357 1.00 0.00 C ATOM 1630 CG PRO A 107 6.385 10.781 -4.826 1.00 0.00 C ATOM 1631 CD PRO A 107 7.621 11.392 -5.424 1.00 0.00 C ATOM 0 HA PRO A 107 6.926 12.785 -2.632 1.00 0.00 H new ATOM 0 HB2 PRO A 107 7.157 9.796 -3.086 1.00 0.00 H new ATOM 0 HB3 PRO A 107 5.703 10.730 -2.795 1.00 0.00 H new ATOM 0 HG2 PRO A 107 6.201 9.788 -5.237 1.00 0.00 H new ATOM 0 HG3 PRO A 107 5.504 11.385 -5.045 1.00 0.00 H new ATOM 0 HD2 PRO A 107 8.367 10.636 -5.671 1.00 0.00 H new ATOM 0 HD3 PRO A 107 7.400 11.934 -6.344 1.00 0.00 H new ATOM 1639 N GLN A 108 8.672 12.512 -0.979 1.00 0.00 N ATOM 1640 CA GLN A 108 9.699 12.378 0.059 1.00 0.00 C ATOM 1641 C GLN A 108 9.221 11.527 1.249 1.00 0.00 C ATOM 1642 O GLN A 108 8.731 12.048 2.253 1.00 0.00 O ATOM 1643 CB GLN A 108 10.151 13.768 0.535 1.00 0.00 C ATOM 1644 CG GLN A 108 10.762 14.620 -0.572 1.00 0.00 C ATOM 1645 CD GLN A 108 11.981 13.973 -1.213 1.00 0.00 C ATOM 1646 OE1 GLN A 108 12.723 13.240 -0.567 1.00 0.00 O ATOM 1647 NE2 GLN A 108 12.182 14.221 -2.491 1.00 0.00 N ATOM 0 H GLN A 108 8.068 13.327 -0.868 1.00 0.00 H new ATOM 0 HA GLN A 108 10.546 11.855 -0.384 1.00 0.00 H new ATOM 0 HB2 GLN A 108 9.295 14.295 0.958 1.00 0.00 H new ATOM 0 HB3 GLN A 108 10.880 13.650 1.336 1.00 0.00 H new ATOM 0 HG2 GLN A 108 10.010 14.804 -1.339 1.00 0.00 H new ATOM 0 HG3 GLN A 108 11.045 15.590 -0.163 1.00 0.00 H new ATOM 0 HE21 GLN A 108 11.545 14.836 -2.998 1.00 0.00 H new ATOM 0 HE22 GLN A 108 12.975 13.798 -2.974 1.00 0.00 H new ATOM 1656 N LEU A 109 9.356 10.206 1.122 1.00 0.00 N ATOM 1657 CA LEU A 109 8.990 9.288 2.207 1.00 0.00 C ATOM 1658 C LEU A 109 10.107 9.177 3.249 1.00 0.00 C ATOM 1659 O LEU A 109 9.830 9.062 4.437 1.00 0.00 O ATOM 1660 CB LEU A 109 8.631 7.894 1.669 1.00 0.00 C ATOM 1661 CG LEU A 109 7.292 7.804 0.916 1.00 0.00 C ATOM 1662 CD1 LEU A 109 7.346 8.587 -0.390 1.00 0.00 C ATOM 1663 CD2 LEU A 109 6.908 6.350 0.664 1.00 0.00 C ATOM 0 H LEU A 109 9.714 9.748 0.284 1.00 0.00 H new ATOM 0 HA LEU A 109 8.108 9.707 2.691 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.427 7.564 1.001 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.606 7.195 2.505 1.00 0.00 H new ATOM 0 HG LEU A 109 6.522 8.253 1.544 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.387 8.507 -0.902 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.557 9.635 -0.177 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.132 8.180 -1.026 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.958 6.312 0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 109 7.681 5.868 0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 109 6.810 5.829 1.617 1.00 0.00 H new ATOM 1675 N GLY A 110 11.365 9.227 2.802 1.00 0.00 N ATOM 1676 CA GLY A 110 12.498 9.163 3.727 1.00 0.00 C ATOM 1677 C GLY A 110 12.384 10.160 4.878 1.00 0.00 C ATOM 1678 O GLY A 110 12.804 9.883 5.999 1.00 0.00 O ATOM 0 H GLY A 110 11.622 9.310 1.818 1.00 0.00 H new ATOM 0 HA2 GLY A 110 12.572 8.154 4.133 1.00 0.00 H new ATOM 0 HA3 GLY A 110 13.420 9.354 3.178 1.00 0.00 H new ATOM 1682 N ASP A 111 11.813 11.327 4.588 1.00 0.00 N ATOM 1683 CA ASP A 111 11.535 12.341 5.610 1.00 0.00 C ATOM 1684 C ASP A 111 10.183 12.086 6.302 1.00 0.00 C ATOM 1685 O ASP A 111 10.018 12.367 7.489 1.00 0.00 O ATOM 1686 CB ASP A 111 11.540 13.734 4.970 1.00 0.00 C ATOM 1687 CG ASP A 111 12.913 14.119 4.452 1.00 0.00 C ATOM 1688 OD1 ASP A 111 13.348 13.558 3.424 1.00 0.00 O ATOM 1689 OD2 ASP A 111 13.574 14.975 5.080 1.00 0.00 O ATOM 0 H ASP A 111 11.531 11.598 3.646 1.00 0.00 H new ATOM 0 HA ASP A 111 12.316 12.282 6.368 1.00 0.00 H new ATOM 0 HB2 ASP A 111 10.823 13.758 4.149 1.00 0.00 H new ATOM 0 HB3 ASP A 111 11.210 14.470 5.703 1.00 0.00 H new ATOM 1694 N HIS A 112 9.218 11.554 5.551 1.00 0.00 N ATOM 1695 CA HIS A 112 7.885 11.271 6.076 1.00 0.00 C ATOM 1696 C HIS A 112 7.895 10.121 7.103 1.00 0.00 C ATOM 1697 O HIS A 112 7.027 10.050 7.973 1.00 0.00 O ATOM 1698 CB HIS A 112 6.977 10.906 4.903 1.00 0.00 C ATOM 1699 CG HIS A 112 5.512 10.914 5.205 1.00 0.00 C ATOM 1700 ND1 HIS A 112 4.977 10.919 6.476 1.00 0.00 N ATOM 1701 CD2 HIS A 112 4.466 10.936 4.362 1.00 0.00 C ATOM 1702 CE1 HIS A 112 3.663 10.943 6.395 1.00 0.00 C ATOM 1703 NE2 HIS A 112 3.322 10.956 5.123 1.00 0.00 N ATOM 0 H HIS A 112 9.339 11.309 4.568 1.00 0.00 H new ATOM 0 HA HIS A 112 7.521 12.158 6.593 1.00 0.00 H new ATOM 0 HB2 HIS A 112 7.167 11.603 4.087 1.00 0.00 H new ATOM 0 HB3 HIS A 112 7.253 9.914 4.546 1.00 0.00 H new ATOM 0 HD1 HIS A 112 5.515 10.906 7.343 1.00 0.00 H new ATOM 0 HD2 HIS A 112 4.515 10.938 3.283 1.00 0.00 H new ATOM 0 HE1 HIS A 112 2.980 10.951 7.231 1.00 0.00 H new ATOM 1712 N LEU A 113 8.863 9.216 6.980 1.00 0.00 N ATOM 1713 CA LEU A 113 8.921 8.019 7.830 1.00 0.00 C ATOM 1714 C LEU A 113 9.812 8.229 9.065 1.00 0.00 C ATOM 1715 O LEU A 113 10.395 9.297 9.257 1.00 0.00 O ATOM 1716 CB LEU A 113 9.432 6.820 7.016 1.00 0.00 C ATOM 1717 CG LEU A 113 8.669 6.540 5.710 1.00 0.00 C ATOM 1718 CD1 LEU A 113 9.197 5.279 5.033 1.00 0.00 C ATOM 1719 CD2 LEU A 113 7.168 6.436 5.966 1.00 0.00 C ATOM 0 H LEU A 113 9.621 9.285 6.301 1.00 0.00 H new ATOM 0 HA LEU A 113 7.909 7.821 8.184 1.00 0.00 H new ATOM 0 HB2 LEU A 113 10.482 6.986 6.776 1.00 0.00 H new ATOM 0 HB3 LEU A 113 9.385 5.930 7.643 1.00 0.00 H new ATOM 0 HG LEU A 113 8.835 7.380 5.035 1.00 0.00 H new ATOM 0 HD11 LEU A 113 8.642 5.101 4.112 1.00 0.00 H new ATOM 0 HD12 LEU A 113 10.254 5.406 4.801 1.00 0.00 H new ATOM 0 HD13 LEU A 113 9.072 4.427 5.702 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.652 6.238 5.027 1.00 0.00 H new ATOM 0 HD22 LEU A 113 6.974 5.623 6.666 1.00 0.00 H new ATOM 0 HD23 LEU A 113 6.805 7.373 6.389 1.00 0.00 H new